#DEFINITION	Reference Metabolome for Macadamia ternifolia
#IDENTTFIER	RefMeta-Macadamia ternifolia.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Macadamia ternifolia
#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 Macadamia ternifolia was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52428	0.8
67.62873	0.9
70.86959	2.0
72.89368	0.7
78.73274	0.7
80.83549	0.8
85.02911	1.1
85.64157	0.8
94.84246	0.7
98.21535	0.9
114.61584	0.7
123.04401	1.3
126.09158	1.8
132.04497	1.0
133.04799	1.1
145.02603	15.9
154.08617	2.6
155.07076	1.2
172.09709	3.3
185.04216	13.3
212.05353	2.3
230.28844	0.8
307.07837	1.4
334.08981	100.0
335.09286	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	334.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18969	0.5
63.56716	0.5
64.56653	0.6
69.03415	1.0
70.91690	1.6
81.07064	1.3
85.02914	1.8
97.02859	0.5
109.06531	1.5
118.73727	0.5
119.68605	0.5
123.04440	2.3
124.47446	0.6
126.09180	4.4
127.07540	2.2
132.04442	1.2
145.02615	14.9
154.08636	5.0
155.07036	3.4
163.03595	0.6
167.65549	0.5
172.09711	9.1
185.04257	11.2
212.05331	2.4
214.15005	0.5
261.57889	0.6
307.07831	1.6
334.08990	100.0
335.09238	4.9
338.32562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62666	0.6
55.01858	1.0
57.03425	1.4
61.02919	3.5
69.03116	0.7
69.03431	6.9
70.08290	1.2
70.08702	2.6
73.02914	1.6
81.03406	2.4
84.08155	3.1
85.02909	26.7
87.04469	1.0
91.03957	1.6
91.05481	9.8
95.04974	1.4
97.02892	7.4
98.97585	2.3
99.04450	1.4
107.08572	0.7
109.02885	1.6
109.06525	1.0
110.97494	0.7
119.04922	7.1
123.04436	4.3
127.03931	3.9
128.98611	1.3
130.08694	0.8
132.04462	20.3
133.04752	1.2
134.99632	1.1
137.05978	100.0
138.06308	2.5
145.02620	4.5
145.03825	0.9
145.04947	7.6
155.07042	9.6
161.06018	1.0
162.07585	0.7
163.06055	0.9
172.09714	1.9
179.07036	2.0
180.08678	4.8
185.04257	3.4
203.06987	1.0
219.01759	1.8
237.02814	3.4
245.08156	1.2
263.09198	1.6
303.33618	0.8
317.21188	1.3
334.08997	23.5
335.09125	1.6
335.18073	1.4
355.07019	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	335.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98353	0.8
53.03945	4.8
55.01859	1.0
55.05522	1.7
56.96565	2.1
57.03450	1.1
67.05502	3.7
69.03439	3.0
69.07072	3.5
70.06596	1.9
70.62920	1.9
71.04999	1.1
72.08145	1.0
79.05499	2.5
81.03426	31.9
81.07045	6.5
83.04980	1.6
83.08657	1.3
91.05485	3.6
93.07045	3.0
95.04993	2.0
95.08614	3.6
97.02906	3.1
97.06542	1.5
97.10137	1.0
103.05478	1.0
105.07052	5.1
107.04951	1.1
107.08606	4.1
109.02888	100.0
109.06527	1.4
109.10191	2.2
111.04433	1.1
115.05482	1.1
116.98660	1.4
119.08600	3.5
121.06503	1.6
121.10174	2.8
125.02349	1.1
127.03932	3.5
129.07043	1.0
133.06465	1.2
133.10158	1.8
137.06015	1.8
137.09647	1.2
139.03981	0.9
145.10144	2.3
147.04437	1.1
147.08060	0.9
149.13342	0.9
151.07625	1.7
161.06012	2.6
163.11241	1.3
167.07063	12.9
173.13239	0.9
175.07538	1.0
179.07066	1.9
187.07663	1.3
189.09160	1.2
191.10698	1.1
193.08604	1.3
201.09178	1.0
206.02872	0.9
207.06555	2.5
209.08018	5.3
211.07465	1.3
221.08035	4.5
239.09148	2.5
247.09506	1.4
257.08191	1.5
261.11179	1.2
285.07578	3.4
289.10583	1.7
295.06769	1.0
299.09290	2.6
317.10245	8.1
317.13669	1.6
317.21280	1.7
320.04315	1.2
335.06714	1.8
335.11319	9.8
335.14679	1.1
335.22116	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
53.68682	0.6
55.01874	0.6
55.05517	2.6
57.03431	1.1
65.03941	3.4
67.05506	8.7
69.03427	0.7
69.07068	100.0
70.06600	1.1
70.07394	1.4
71.04999	1.4
71.59895	0.9
72.08150	0.7
79.05505	2.3
79.14246	0.5
80.05027	0.9
81.03419	3.5
81.07058	9.2
82.06612	0.7
83.08612	1.8
87.07975	0.5
91.05490	1.7
92.05008	3.3
93.07044	4.7
94.06584	3.7
95.04987	3.3
95.08604	8.5
96.08197	0.7
97.06530	15.7
97.10169	0.7
105.07047	2.5
106.06573	0.7
107.03725	0.7
107.08600	2.3
108.04488	1.1
109.02871	7.8
109.05296	0.6
109.06531	1.7
109.10148	4.0
114.09185	0.5
117.07046	0.6
119.03653	0.9
119.08550	1.4
120.04476	0.8
121.05293	0.8
121.06497	1.0
121.10149	1.5
122.06014	7.4
124.07607	2.6
125.05991	1.5
126.05511	1.0
131.07373	0.6
131.08569	0.9
133.10133	1.5
137.06007	3.9
138.05472	5.5
139.03935	1.4
140.07060	8.3
140.08086	0.7
141.07971	0.6
142.08699	0.9
144.08087	2.1
145.08875	2.8
145.10034	1.1
146.09619	3.8
147.04353	0.5
147.06847	1.4
147.11696	1.3
148.03896	1.1
149.09567	0.7
150.05505	80.1
151.05870	0.7
152.03467	0.8
157.08910	2.4
158.09669	1.4
158.99702	0.6
159.10417	0.9
159.11757	0.6
160.07681	1.3
160.11249	0.9
161.08401	3.1
162.09149	2.1
164.03448	1.8
165.04221	1.2
166.04997	30.1
167.07098	1.0
168.06612	1.8
172.07602	1.9
172.11179	5.5
173.08330	1.5
173.09706	1.2
174.09122	2.1
174.12796	6.3
175.11938	1.1
176.03409	8.2
176.10605	0.6
178.05025	2.6
182.04515	1.2
185.08409	2.3
186.07666	1.5
186.09172	0.7
188.10760	1.8
190.08664	1.2
190.12254	4.2
192.02892	1.1
194.04507	3.0
198.07761	1.3
200.06987	1.3
200.10754	6.9
202.12274	7.6
213.06586	0.7
213.10228	1.6
215.11546	0.6
216.10257	3.1
218.08209	2.1
218.11757	29.8
226.08862	0.6
228.10194	16.1
229.10277	0.8
229.13385	1.8
234.11285	2.6
241.09787	0.8
243.11348	1.6
243.13785	0.7
244.06059	0.8
244.09735	2.2
245.12849	1.8
245.22600	1.2
246.11255	26.0
255.11209	1.1
256.09613	1.6
257.09335	2.1
259.10532	0.6
261.08682	1.1
261.12463	1.3
262.10855	0.8
271.10822	5.1
272.09140	4.2
273.12262	4.1
274.10638	4.1
281.24673	1.5
287.10278	8.4
288.08517	0.7
289.08591	0.4
289.11789	11.2
290.10098	1.6
291.13431	0.9
299.10327	5.2
299.25806	0.7
317.11313	30.1
319.61865	0.7
335.12387	33.8
335.22452	1.1
336.12726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05617	2.8
70.06036	1.3
95.08578	0.9
98.98466	2.8
333.20380	100.0
334.20648	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89922	5.1
58.93034	6.3
59.50745	5.3
67.05503	11.5
68.47444	5.5
79.05476	8.0
81.07050	13.7
87.48804	5.6
91.05498	8.8
93.07038	9.6
95.08596	10.0
98.41656	5.6
98.98471	68.0
105.07013	7.1
107.08534	7.1
109.10138	9.1
110.28149	6.7
119.08582	13.7
121.10152	8.0
133.10112	6.2
141.94946	6.3
147.08063	7.4
149.06097	7.3
176.98839	10.4
271.24625	18.4
276.97665	5.6
315.19278	17.5
333.20389	100.0
333.24191	13.9
333.34402	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77269	0.5
52.86139	0.6
56.96571	0.8
67.05505	1.9
69.40041	5.6
79.05503	1.3
81.07061	1.3
83.08614	0.7
88.07626	0.7
91.05495	1.0
93.07024	1.1
95.04969	0.9
95.08600	1.6
98.20808	1.4
98.98477	4.5
105.07042	1.5
107.08601	1.5
109.06535	0.7
109.10173	2.8
111.04489	1.0
119.08575	1.9
122.89214	0.6
133.06367	0.7
133.10156	1.6
135.08057	1.0
135.11681	0.6
137.05989	1.7
143.83751	0.8
147.11598	0.7
159.11682	1.2
165.09094	0.8
167.07008	1.5
179.10632	0.9
203.10767	0.8
207.10091	0.6
218.54858	0.7
229.99991	0.8
242.24872	1.1
242.27350	0.6
287.19934	0.7
288.09891	0.9
314.35706	0.6
315.19330	2.2
333.20401	100.0
334.20810	2.4
334.29541	2.4
351.18954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01865	1.6
55.05262	1.3
55.05509	13.0
56.05026	3.9
67.05504	2.2
68.05023	4.4
68.82610	1.0
68.99753	1.2
69.03429	2.2
69.07062	3.4
70.06583	2.5
71.59851	1.3
72.08158	62.8
73.06558	6.3
79.05489	1.5
81.03415	2.3
81.07038	1.9
82.02939	1.4
82.06570	3.9
83.04961	1.5
84.04506	60.9
84.08148	2.2
85.02915	8.6
85.06519	1.4
86.09709	14.8
87.67670	1.3
90.09179	4.4
91.05498	2.2
93.07034	4.4
94.06555	3.3
95.01328	1.4
95.04948	1.4
95.06123	1.2
95.08617	6.7
96.04497	4.1
96.08112	2.8
97.02873	2.2
98.98477	8.0
102.05534	7.3
105.07032	2.9
107.08573	1.4
108.08097	1.3
109.02879	1.6
109.10125	2.5
110.09682	67.8
111.04445	7.9
113.02364	1.8
117.07046	1.3
119.08582	1.7
127.03891	2.2
128.04701	6.9
128.10698	1.1
130.06454	1.4
132.10213	6.4
133.06493	2.0
133.10139	1.5
135.08087	1.3
135.11635	1.5
137.05977	5.8
138.09140	87.1
139.03908	7.6
141.01762	1.5
143.07031	1.8
148.07593	2.3
153.05493	3.2
153.12770	3.5
156.10211	35.5
161.83229	1.3
166.08690	4.0
167.07051	3.1
169.05031	1.5
170.05783	1.4
170.12915	1.7
171.06522	3.9
171.13812	1.2
174.11263	100.0
175.11670	2.1
192.10295	1.7
197.12811	2.9
206.04460	2.0
215.03427	1.8
232.06091	1.6
233.04474	2.7
242.04536	3.2
243.13417	4.7
247.05875	1.4
251.17567	7.0
270.03943	3.5
274.07108	4.6
275.05460	6.9
279.16907	2.2
297.18097	93.4
298.18149	2.7
301.10739	1.5
302.06631	2.5
315.19183	13.6
333.05795	2.1
333.20206	90.9
334.09158	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	333.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.05259	0.9
55.05512	10.3
56.05036	2.7
57.07087	0.9
63.99719	0.8
65.03952	2.0
67.01839	0.8
67.05497	1.9
68.05042	5.0
69.03431	3.1
69.07066	2.6
70.04076	3.2
70.06583	3.1
70.86933	1.5
70.87328	2.1
72.08160	53.9
73.06558	7.0
73.08453	0.8
79.05502	1.5
81.03406	1.3
81.07048	2.5
82.06573	3.2
83.04984	1.6
83.08617	1.7
84.04510	55.7
84.08150	1.4
85.02908	7.8
86.09708	13.3
90.09225	3.9
91.05468	2.0
93.07038	2.3
94.06570	2.8
95.01335	2.2
95.08621	3.7
96.04515	2.7
96.08138	2.0
97.02892	0.8
97.06542	1.1
98.98471	6.3
99.04465	2.1
102.05553	6.1
105.07078	1.2
107.08579	0.7
109.02869	2.3
109.10143	1.8
110.09693	55.4
111.04456	9.0
113.02388	1.9
119.08623	0.9
121.06535	1.5
122.02744	1.0
122.03612	0.8
127.03903	2.6
128.04716	11.0
128.10695	1.0
130.06549	0.7
132.10210	3.8
133.06517	1.2
135.08160	0.9
137.06013	2.5
138.03152	1.0
138.09149	79.7
139.03911	10.7
139.09488	1.2
140.14343	1.3
141.01816	1.8
141.05515	1.3
143.07068	3.0
148.07584	2.1
149.02234	0.9
153.05476	1.2
153.12753	1.4
155.03366	0.9
156.10214	31.3
161.06012	1.3
161.09689	1.0
166.08691	2.9
167.07025	4.9
169.04944	2.4
170.05775	2.2
170.12885	4.3
171.06567	2.3
171.13242	6.4
174.11275	100.0
175.11586	1.3
176.03452	2.9
181.08598	1.7
186.14986	0.9
187.03946	2.1
189.09207	0.9
192.10220	2.0
192.14607	1.0
197.12881	3.5
202.09012	0.7
206.04509	1.8
210.15610	1.0
212.17592	0.9
214.04956	1.6
215.03487	2.0
216.02919	1.1
232.06020	2.6
233.04414	2.3
241.08797	1.1
242.04509	2.5
243.13524	4.0
247.06004	2.5
251.17581	5.8
269.18573	1.0
270.04031	5.1
274.07077	6.6
275.05560	7.6
279.16974	1.4
287.13840	1.3
297.18118	78.0
298.18436	2.4
301.10724	1.6
302.06580	5.5
315.19199	13.4
333.13846	2.0
333.20242	77.1
334.09213	4.6
334.20737	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	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01827	0.9
55.05496	3.8
56.96552	1.0
57.03431	0.9
59.05000	2.2
65.03956	0.9
67.05506	5.4
69.03425	1.6
69.07058	3.3
71.04650	1.0
71.05000	12.5
71.60277	1.4
72.08171	1.3
72.95502	0.8
73.02892	0.8
73.06546	3.4
75.26727	1.0
79.05502	6.2
79.72765	0.9
81.03429	1.3
81.06588	1.0
81.07064	18.8
83.04988	1.2
83.08630	1.0
84.08134	0.8
85.02888	3.5
85.06534	0.9
91.05473	6.1
93.07047	14.4
95.04964	2.9
95.08601	6.1
97.02891	1.1
97.06506	3.1
98.98472	10.4
100.11263	0.9
103.05487	0.9
105.07039	4.5
107.04973	2.7
107.08592	13.0
109.02871	4.2
109.06493	1.2
109.10160	6.7
111.04411	1.7
111.08054	1.0
114.10280	1.9
119.04937	1.1
119.08567	3.7
120.08137	1.2
121.06478	2.3
121.10136	2.6
123.04407	1.8
123.08091	1.1
124.05245	1.7
125.05993	1.7
127.03947	1.4
131.08600	0.9
133.06487	2.0
133.10126	2.7
135.10692	1.1
135.11699	19.5
137.05983	19.4
139.03905	3.2
139.07529	2.3
145.10129	1.3
147.04416	3.2
149.05989	1.6
151.03888	1.1
151.07556	2.4
152.07819	0.9
153.01860	4.7
153.05449	3.1
153.12755	100.0
157.06482	0.8
161.05919	1.5
161.09534	0.9
163.03967	1.3
165.01910	1.6
165.07024	0.9
165.09167	1.0
165.12785	0.8
167.03418	2.0
167.07065	23.5
167.08409	1.2
170.07130	0.8
171.11745	1.0
173.13266	0.9
174.96899	0.9
176.98901	1.2
179.07132	1.2
179.10542	1.1
181.06458	2.2
181.08575	2.2
183.02893	1.7
183.07930	1.0
183.14709	0.8
189.05449	1.6
189.09090	1.0
193.04976	3.3
193.08664	0.9
195.08080	1.0
198.06784	1.0
205.04930	1.2
207.10196	1.2
208.03705	0.8
211.07594	1.0
213.09236	1.1
217.05034	2.0
219.02959	2.6
221.04370	1.9
227.06967	1.4
233.04420	1.5
244.03850	1.0
245.04497	4.7
269.08105	0.8
273.03775	2.0
273.11258	2.0
283.12814	1.0
285.51346	0.9
287.19940	1.5
288.09933	3.2
289.13617	0.9
290.04318	1.2
301.03467	4.3
301.10739	3.4
303.12177	1.2
315.08752	0.9
315.19250	1.4
318.03705	9.2
319.03677	1.2
333.06027	49.0
333.13058	3.4
333.20569	2.0
334.06201	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	333.0606
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
53.03926	0.7
55.01859	0.9
55.05482	1.3
56.96555	0.8
57.03424	1.0
59.63603	0.5
61.02888	0.9
65.03922	1.3
67.05479	1.7
69.03412	1.7
69.07041	1.5
70.06560	2.0
71.04986	0.9
71.60152	1.1
72.08134	1.6
74.06036	0.8
78.01759	0.8
79.05473	1.6
81.03381	1.5
81.07064	4.7
83.04981	0.7
83.06085	1.3
83.08611	1.2
84.04503	3.1
85.02914	4.4
86.09716	1.3
88.98563	0.6
91.05492	4.6
93.07070	2.8
95.04954	1.9
95.08597	1.3
96.04499	0.6
97.02860	1.6
97.06537	2.9
98.97509	0.8
98.98467	8.4
103.05463	1.1
105.07033	1.3
107.04954	1.0
107.08595	2.6
109.02879	1.8
109.06530	0.7
109.10153	1.8
110.09712	2.6
111.04429	1.4
113.05982	0.6
115.05444	1.3
116.06326	0.5
116.45184	0.5
116.98597	0.8
117.07008	0.7
119.04934	0.9
119.08617	1.3
120.08103	1.6
121.02879	2.7
121.10111	0.8
122.06040	0.6
123.04433	4.7
124.07634	0.9
125.05991	0.7
127.03896	1.5
127.07552	0.7
129.06621	1.7
131.04903	1.1
133.02866	1.0
133.06483	0.9
133.10123	0.7
135.04431	0.7
135.08054	0.7
135.11690	2.1
137.05965	3.2
138.09131	2.2
139.03902	1.1
141.12700	0.8
142.00124	0.5
143.08560	0.8
144.05605	0.7
145.04964	1.0
146.06056	2.6
146.99646	0.6
147.04420	1.6
147.11639	1.0
148.07603	2.9
149.02318	0.6
150.09885	0.5
151.03864	0.7
153.05493	0.8
153.12740	2.2
155.04939	5.1
156.10228	0.7
158.08018	1.0
159.06377	0.9
159.08000	0.5
159.11638	0.7
159.91635	0.6
160.05235	0.7
161.05943	1.3
161.09619	0.5
162.03114	0.6
162.05490	0.8
163.03908	0.7
163.97404	0.5
165.01830	3.5
165.05536	1.4
165.06898	0.6
166.04924	0.5
167.03415	17.5
167.07101	3.1
167.08336	0.9
170.02052	0.6
171.04416	6.1
171.10123	1.7
171.13785	1.7
172.05185	1.8
173.05954	0.7
174.11281	2.9
176.09058	1.1
176.98975	1.1
177.00589	0.8
177.05600	0.5
181.06378	1.2
181.08582	1.9
183.04463	2.2
184.05238	3.9
190.02583	0.7
192.06598	2.1
193.01343	12.2
199.03918	13.2
200.04677	5.6
201.05415	0.8
204.04297	1.0
211.03896	1.4
212.04723	1.6
213.09166	0.8
214.02588	1.5
215.03412	3.2
216.04156	1.0
217.04810	0.9
227.03389	6.7
227.06886	0.6
228.04190	6.2
229.04912	2.2
231.02931	3.3
235.99362	0.7
243.02885	2.1
245.04449	10.2
246.05023	0.6
251.56621	0.8
255.02901	100.0
256.03625	12.1
257.04428	0.6
271.02505	0.7
271.06372	0.6
273.03964	7.6
273.11176	0.7
275.14706	0.8
283.02371	3.2
287.05396	0.9
287.10464	1.2
297.18188	1.7
301.03409	8.1
301.10873	1.8
315.04996	83.1
316.05338	2.2
333.06079	28.6
333.12897	3.0
333.14868	3.1
333.20157	3.3
334.06467	1.0
358.08112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0602
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
53.89675	0.1
55.01874	0.2
65.03942	0.4
67.01888	0.1
68.99785	1.1
69.03410	0.1
70.81312	0.1
70.85170	0.4
73.72483	0.1
81.03400	0.3
85.01677	0.1
93.03365	0.2
97.02901	0.1
100.50681	0.1
103.05429	0.2
108.02091	0.5
109.02876	1.6
111.00798	1.7
111.04453	0.2
113.98771	0.1
115.05409	0.2
121.02876	0.3
123.04420	0.5
125.02398	0.3
126.03131	0.3
127.03902	0.2
133.02858	0.2
133.67334	0.1
137.02347	1.5
137.05994	0.2
138.03128	0.4
139.03899	2.9
140.04691	0.3
147.04422	0.3
149.02344	0.3
151.03905	0.4
152.01038	0.3
153.01823	10.9
153.05405	0.3
154.02196	0.1
161.02353	0.2
161.05989	0.5
163.03937	0.2
165.01836	2.9
166.02596	1.0
167.03395	2.8
167.07056	0.5
170.02153	0.2
171.04449	0.3
173.06044	0.1
177.05475	0.2
178.02571	0.2
179.03389	1.0
183.02895	0.7
183.04353	0.1
188.04697	0.2
189.01842	0.1
189.05447	1.0
191.03325	0.2
192.04144	0.2
193.01257	0.2
193.04990	1.0
195.02849	0.4
199.03871	0.3
202.02544	0.2
203.03407	0.3
205.04970	0.9
206.05727	1.1
207.02811	0.3
208.03621	1.4
210.01627	0.2
213.05368	0.2
216.04192	1.0
217.04948	4.8
219.02888	6.5
219.41479	0.1
220.03432	0.2
221.04483	0.3
227.03424	0.5
229.04947	0.4
231.02856	0.1
231.06532	0.3
232.03606	0.3
233.04427	2.9
234.01668	0.2
234.05212	0.9
241.04953	0.6
243.02927	1.1
244.03658	3.1
244.50130	0.1
245.04446	6.7
247.02411	0.5
249.03897	0.3
255.02917	0.7
259.05975	1.5
261.03934	2.3
262.04669	0.4
272.03146	0.7
273.03940	5.6
274.04242	0.2
277.07016	1.4
287.05457	1.7
289.03421	3.8
290.04166	2.2
300.02692	0.9
301.03421	9.3
302.03830	0.4
304.05661	0.6
305.06000	0.1
315.04910	0.4
317.02667	0.2
318.03702	14.0
319.03979	0.6
333.06030	100.0
334.06393	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	332.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05507	2.7
56.96110	0.7
57.03467	0.6
57.07079	3.4
58.99574	2.0
59.04987	0.9
61.01149	0.6
65.95864	0.6
67.05179	0.7
67.05507	13.2
69.03071	1.1
69.03432	19.3
69.07087	4.1
70.06590	0.9
71.04995	7.1
71.57851	1.2
72.08140	1.9
76.01903	0.7
76.02237	8.0
79.05479	1.3
81.03416	1.6
81.07064	16.1
83.04996	1.2
83.08614	2.6
84.04492	2.0
85.02905	2.5
85.06550	23.5
86.09715	1.3
86.99045	2.4
91.05471	3.0
92.05871	0.8
93.07066	3.5
95.04952	2.0
95.08611	12.4
96.31423	0.8
97.02876	1.9
97.06510	1.5
97.10162	1.7
98.97578	0.7
98.97803	0.7
98.98471	9.0
103.02179	1.0
105.00098	4.5
105.07029	1.5
107.08626	4.0
109.06496	1.0
109.10164	79.9
110.10494	1.3
111.08089	26.0
113.05990	1.0
116.98606	0.8
119.08584	4.8
120.08087	1.2
121.10152	2.1
122.02737	65.6
123.08088	0.7
123.10809	1.3
123.11715	27.5
124.07584	2.2
124.11994	0.8
125.05981	2.2
125.09633	1.7
127.03921	3.2
128.04230	1.6
133.10107	2.2
135.08022	1.0
135.11682	2.0
137.05952	3.1
137.09602	5.3
138.06306	1.0
138.09125	1.3
139.11192	1.3
142.03233	1.2
143.05261	9.2
147.11691	1.5
149.13258	2.5
151.07516	1.7
152.07977	1.2
153.05435	2.9
155.10680	12.4
159.08292	0.9
167.07106	0.9
171.06558	6.6
174.11281	2.5
175.14891	3.5
187.07848	2.2
190.09415	0.9
193.15886	7.3
208.91344	0.7
211.16942	100.0
212.17274	2.5
213.08893	0.7
234.01834	0.8
243.14136	17.7
249.11343	1.0
254.08981	1.1
271.05484	0.7
288.13159	1.3
297.18011	1.4
311.09763	2.2
311.59799	1.7
315.13089	0.8
320.10147	1.5
332.08505	2.1
332.19043	4.9
333.05841	1.5
333.20416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74380	0.3
55.01864	0.4
55.05518	0.6
56.96572	0.6
61.02925	0.4
61.97449	0.3
67.05508	0.9
69.03431	100.0
69.07085	0.8
69.60632	1.3
69.61055	1.3
70.03757	1.1
70.06606	0.5
71.04959	0.4
73.02920	0.4
76.02222	0.9
77.86115	0.3
79.05489	0.6
81.03411	1.1
81.07063	2.6
83.04998	0.8
83.08640	0.5
85.02929	0.5
87.45853	0.3
91.05491	0.8
93.07046	0.5
95.04964	0.7
95.08620	1.1
97.02916	0.5
98.20792	0.6
98.97581	0.8
98.98467	4.1
100.98907	0.4
105.07035	0.6
107.04933	0.5
107.08624	0.6
109.02896	0.8
109.06522	0.6
109.10163	1.2
111.04446	0.6
111.08085	2.7
112.57412	0.4
116.98615	0.5
119.08575	0.7
121.10133	0.4
122.02749	1.9
122.03491	0.3
123.08054	0.6
123.11703	6.1
125.09662	1.1
127.03908	1.4
128.04251	0.6
133.10103	0.8
135.11700	1.1
137.02339	0.4
137.05998	2.2
137.09613	0.7
138.06305	0.5
139.03865	0.8
142.12132	0.3
149.01251	0.9
151.03928	0.4
152.04245	0.4
152.09529	0.3
153.01854	1.7
153.05469	0.6
156.03598	0.5
157.06860	0.4
164.20010	0.3
165.01868	0.8
167.03493	0.5
167.07060	1.6
174.45505	0.3
175.14787	0.8
176.98869	0.4
177.05373	0.5
179.06470	0.4
188.06966	0.4
193.15887	72.4
194.16188	2.3
211.16943	14.6
212.17503	0.5
217.04988	1.0
219.02924	0.7
223.08209	0.3
227.06979	0.5
231.96875	0.5
245.04475	1.0
251.08614	3.2
251.58592	0.6
273.04013	0.7
287.05551	0.4
288.09897	0.7
289.03439	0.6
290.04028	0.4
300.02457	0.5
301.03348	1.2
301.10300	0.3
318.03680	2.2
332.11761	3.3
332.18884	0.9
332.61407	0.8
333.06055	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0605
Annotation	5-O-Methylmyricetin
Peak:m/z	Relative Intensity
53.03933	0.1
55.01861	0.2
65.03939	0.3
66.87240	0.1
67.01857	0.2
67.05492	0.2
68.99789	1.4
69.03435	0.1
70.58405	0.1
70.94019	0.3
73.54333	0.1
81.03423	0.4
83.04970	0.1
86.54903	0.1
90.47569	0.1
91.05466	0.1
93.03402	0.3
95.04967	0.1
97.02885	0.1
98.98477	0.2
105.03375	0.1
105.07030	0.2
107.04942	0.1
107.08589	0.1
108.02094	0.4
109.02888	2.0
110.03661	0.1
111.00809	1.8
111.04425	0.3
115.05438	0.2
119.01302	0.1
121.02872	0.6
121.06485	0.3
123.04436	0.5
125.02334	0.2
125.06030	0.1
125.95783	0.1
126.03114	0.3
127.03897	0.3
133.02870	0.2
133.06523	0.1
135.04382	0.2
136.01544	0.1
137.02345	1.8
138.03148	0.4
139.03897	3.6
140.04692	0.4
147.04410	0.4
149.02354	0.2
151.03886	0.3
152.01085	0.2
153.01828	12.5
153.05432	0.3
154.02184	0.2
157.04953	0.1
161.02335	0.2
161.05969	0.3
163.03896	0.2
165.01834	3.0
166.02623	1.0
167.03397	3.3
167.07031	0.6
168.03851	0.1
170.02075	0.3
171.04385	0.5
173.05991	0.1
175.03864	0.1
177.05484	0.2
178.02621	0.3
179.03395	1.0
180.04088	0.1
183.02922	1.0
185.06012	0.1
188.04695	0.3
189.01907	0.1
189.05450	1.2
191.03459	0.3
191.07016	0.1
192.04182	0.2
193.01282	0.2
193.04958	1.2
194.02118	0.1
195.02917	0.3
197.04637	0.1
199.03926	0.4
200.04776	0.1
201.05391	0.1
202.02615	0.2
203.03416	0.5
205.04953	1.2
206.05737	1.2
207.02832	0.4
208.03650	1.5
210.01576	0.3
213.05447	0.1
215.03395	0.2
216.04178	1.0
217.04968	5.6
218.02271	0.1
219.02881	7.3
220.03468	0.3
221.04466	0.2
227.03465	0.5
228.04124	0.2
229.04964	0.3
231.02928	0.2
231.06494	0.4
232.03574	0.1
233.02094	0.2
233.04440	3.2
234.01550	0.3
234.05157	0.9
241.04836	0.5
243.02925	1.3
244.03664	3.5
245.04453	7.0
246.04947	0.1
247.02373	0.6
249.03876	0.2
255.02850	0.6
256.03683	0.2
257.04507	0.2
258.05215	0.1
259.02292	0.1
259.03165	0.1
259.06033	1.4
261.03912	2.0
262.04703	0.5
269.04190	0.2
272.03125	0.8
273.03928	5.4
274.04431	0.2
277.07092	1.5
278.96228	0.1
283.02490	0.1
284.03217	0.2
285.03842	0.1
287.05502	1.8
289.03439	3.6
290.04211	2.5
290.06879	0.1
291.04538	0.1
300.02582	0.7
301.03424	9.4
302.03851	0.4
304.05771	1.0
315.04990	0.5
316.05545	0.1
317.03079	0.1
318.03711	14.5
319.03976	0.4
325.75296	0.1
333.06036	100.0
334.06384	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	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05508	11.2
57.03435	7.3
57.07077	100.0
58.07396	1.9
64.52134	1.4
64.95655	1.2
67.05505	23.3
69.06734	1.5
69.07071	19.6
70.06589	4.7
71.08633	69.5
72.09007	1.5
75.04476	3.3
79.05463	1.5
81.06583	1.9
81.07061	35.7
83.08621	29.4
85.06529	2.4
85.10182	37.2
88.07621	5.0
89.05990	1.6
93.07037	2.4
93.52693	1.2
95.08607	59.4
97.10170	13.3
98.98467	72.3
99.11710	1.7
100.98918	1.9
102.09162	2.3
105.07063	2.0
106.08629	2.9
109.10155	24.1
111.11716	4.6
116.99506	3.8
119.08585	1.8
123.11720	14.6
125.13285	2.6
127.03914	18.3
128.23085	1.4
137.13239	7.0
139.14847	1.6
140.01112	1.8
151.14838	3.0
165.16422	1.9
174.99216	3.6
176.99048	6.0
177.30836	1.2
179.17804	1.5
221.22632	4.4
239.23695	32.9
240.24332	1.2
252.99782	2.0
257.24799	6.3
298.27341	1.7
313.27374	82.4
314.27652	2.4
331.08289	1.9
331.26230	1.8
331.33990	54.5
349.16928	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	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.03936	1.6
55.05516	10.1
57.03438	7.1
57.03661	1.2
57.07078	80.7
58.07395	1.9
67.05506	23.0
69.07072	15.1
70.06615	1.3
71.08634	63.5
71.35033	3.1
75.02548	1.1
75.04481	3.7
75.09790	1.3
79.05486	2.0
81.03405	4.3
81.07059	32.4
83.08624	24.4
85.02912	2.3
85.10181	34.7
88.07641	1.8
89.05999	1.8
91.05460	1.2
93.07031	3.5
95.08608	45.8
97.10180	11.4
98.98467	100.0
99.08085	1.8
99.11713	2.8
100.98905	3.0
107.08567	1.3
109.02902	1.7
109.10164	23.5
111.11709	5.1
116.99505	5.4
121.10178	1.7
123.04459	6.3
123.11700	12.9
125.13232	2.0
126.95481	1.3
127.03918	71.2
128.04231	2.3
133.06482	1.4
137.05989	3.3
137.13213	4.1
140.01111	3.8
149.06023	7.1
151.14751	1.5
163.07565	6.1
174.99207	5.0
176.98906	9.1
187.11160	1.4
221.22591	3.1
239.23698	24.5
240.23662	1.2
257.24762	6.7
313.27380	69.2
314.27652	2.4
331.04373	1.8
331.07794	1.7
331.19113	2.8
331.22690	5.9
331.26331	2.0
331.30344	2.5
331.34052	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	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84189	0.3
56.96555	0.4
57.35172	0.3
59.04995	0.4
63.45929	0.3
69.03424	1.1
70.85651	0.6
70.85974	0.6
79.05491	0.5
81.03409	1.0
81.07058	0.5
85.02938	0.5
88.07640	0.5
93.07037	0.5
97.02908	0.6
98.98470	22.4
100.98844	0.5
105.07001	0.8
108.56574	0.4
109.02901	0.8
109.50822	0.4
116.99445	0.4
127.03921	21.2
128.04260	0.9
131.35210	0.4
137.02354	0.6
137.06010	0.5
147.16364	0.4
156.50114	0.4
165.07071	0.9
173.13354	0.4
174.99197	0.6
176.98969	1.9
177.99271	0.4
181.06430	0.4
183.08023	0.4
187.06046	0.7
195.09926	0.6
225.05394	0.4
231.10806	0.8
252.99760	0.5
273.03992	1.8
315.05087	1.5
316.05893	5.2
316.09207	0.7
317.06219	1.0
324.06323	0.4
331.08112	10.1
331.12000	3.5
331.18817	100.0
332.08594	0.7
332.19186	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	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05509	10.2
57.03438	6.0
57.07074	100.0
58.07422	1.5
60.34875	1.2
67.05173	1.7
67.05504	23.2
69.07065	15.1
70.06591	5.3
71.04965	1.6
71.08630	67.6
75.04475	3.0
76.98293	1.2
79.05521	1.9
81.07056	34.8
82.77235	1.2
82.97078	1.0
83.08144	1.5
83.08619	26.7
85.06529	1.7
85.10180	37.2
88.07628	6.1
89.06016	1.3
95.08607	49.2
97.10170	13.8
97.41522	1.1
98.21458	2.3
98.98458	20.7
99.11715	3.4
106.08663	2.0
109.10156	24.3
111.11703	3.3
123.11704	9.2
125.13230	2.8
127.03899	3.7
137.13266	6.5
151.14864	1.4
165.16411	2.1
176.98926	1.4
221.22731	3.5
239.23677	28.5
257.24786	7.1
298.27438	1.5
313.27368	76.7
313.33084	3.6
314.27634	3.1
331.33966	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
55.01854	2.6
63.96506	1.2
67.05476	2.3
69.03426	4.2
69.96263	7.6
70.06568	2.4
78.45657	1.2
79.05479	3.9
80.05035	1.8
81.03419	5.1
81.07040	3.8
83.04962	1.9
85.02899	5.6
86.09715	2.4
86.42031	1.3
89.50330	1.5
91.05490	26.5
93.07024	2.7
94.04160	1.8
95.04952	5.8
95.08582	1.4
96.00463	1.4
97.02882	2.4
97.06511	1.7
97.42902	1.1
98.21421	1.7
98.98471	100.0
99.04456	1.7
100.98861	2.7
103.05450	5.0
105.07031	6.4
107.04972	8.1
107.08614	2.6
109.02885	4.4
109.06510	4.0
109.10178	2.5
115.05446	3.1
116.98683	2.0
116.99496	4.3
117.07063	1.5
119.04940	14.2
119.08624	1.7
121.06515	7.8
122.03659	4.0
123.04426	2.2
123.08096	1.8
127.03918	55.5
128.06238	4.0
129.06989	13.9
131.04906	5.5
131.08597	2.4
133.06520	2.9
133.10097	1.8
133.39798	1.3
134.99667	2.1
135.04369	1.8
135.08104	6.0
136.05196	2.1
137.05983	72.4
142.03207	7.3
145.06459	3.5
147.04411	1.5
147.08122	1.4
149.05981	12.6
151.03928	3.2
151.07553	84.0
152.06200	5.9
153.06993	2.9
155.08568	1.5
157.06476	9.3
159.08063	1.6
161.06009	15.7
161.09612	4.8
163.07559	22.4
165.07008	12.5
165.09116	4.1
166.07794	2.0
167.07181	2.5
167.08514	13.8
169.06482	2.0
173.12981	1.3
174.06767	5.1
174.99216	5.6
175.06195	1.2
175.07562	4.4
176.98972	10.1
177.00304	1.8
177.05424	1.6
177.09062	1.9
178.07755	5.8
179.08537	2.1
181.04979	3.0
181.06509	4.7
182.07222	4.2
183.08064	2.1
187.06053	1.5
187.07565	1.7
188.03731	3.5
189.09100	29.5
191.08588	1.4
193.06514	6.7
193.10149	6.1
194.07251	3.5
195.08055	21.2
196.08806	1.8
197.05992	4.7
199.07404	2.4
201.12315	1.4
203.08614	2.2
207.10188	6.6
209.06021	3.5
209.09659	2.6
210.06767	7.4
211.07521	5.9
212.08339	5.1
213.05498	1.6
219.08025	1.5
221.06020	9.2
221.09583	9.9
223.07536	10.3
224.08385	5.5
225.05540	3.1
225.09125	12.2
227.07166	2.1
227.10681	28.5
231.08063	1.9
237.09117	4.0
238.06279	4.6
239.06966	2.7
240.07854	3.4
240.90431	1.5
241.08507	3.5
249.09084	4.1
252.99797	1.7
253.08621	13.7
253.12213	12.9
255.06708	3.2
255.10185	24.2
267.10306	7.0
269.08231	3.3
269.11581	2.0
272.10300	2.6
281.11761	5.4
282.03778	1.4
284.10568	1.5
285.11319	14.8
287.12799	46.5
288.13055	1.3
298.11960	1.5
299.12747	2.5
301.14420	1.9
313.14383	14.3
320.09879	2.0
331.04498	2.9
331.08212	1.7
331.11676	24.2
331.15198	2.2
331.19135	1.8
332.04602	1.4
332.12320	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17067	0.7
52.43949	0.7
53.03943	1.0
53.15622	0.6
55.01880	0.8
55.05511	1.4
56.96561	1.5
57.03449	0.8
57.07084	1.0
66.25287	0.7
66.61086	0.7
67.05511	1.2
69.03425	3.3
69.07072	1.0
69.62952	0.6
70.06598	1.9
71.04987	1.8
71.06734	1.8
79.05490	2.5
80.05016	1.3
81.03414	3.4
81.07056	3.3
83.04951	0.8
83.08560	0.8
84.04543	0.7
85.02910	2.8
86.09702	1.5
91.05490	5.0
93.03421	0.8
93.07063	2.2
95.04984	1.6
95.08607	2.2
97.02910	2.8
98.98473	100.0
99.04446	1.2
100.98896	3.2
103.05473	3.1
105.07029	4.5
107.04932	1.4
107.08598	1.5
109.02900	2.9
109.06509	1.1
109.10175	2.3
115.05472	0.7
116.98710	1.2
116.99506	5.5
117.07028	1.2
119.04977	1.7
119.08562	0.9
120.04493	0.7
121.06519	3.1
121.10169	1.8
122.03667	2.0
123.04446	25.7
123.11701	1.9
124.07618	0.8
127.03931	29.1
128.06281	0.9
129.07010	2.0
131.04979	4.3
131.08549	1.0
133.06505	8.3
133.10126	1.2
137.02390	0.7
137.05988	24.7
139.03951	0.9
140.01125	1.9
142.03217	4.0
145.06488	2.0
145.10239	0.9
147.04424	1.0
149.02292	1.0
149.05997	11.0
149.09608	0.9
150.06776	1.1
151.03920	1.7
151.07562	5.4
151.11217	1.2
153.01891	0.8
153.05539	1.0
153.07007	1.0
157.06503	1.1
161.06024	2.1
161.09579	0.7
162.05540	1.4
163.03970	1.3
163.07549	7.9
165.07043	1.6
169.05023	1.1
169.06538	0.9
169.12196	1.2
174.99220	4.0
175.07530	0.7
176.98949	11.9
177.00455	1.3
177.05565	1.4
181.05014	0.9
181.06393	1.5
183.07924	0.8
184.07343	0.9
187.06068	0.8
188.03798	1.3
189.09088	3.9
193.10210	1.1
194.11827	1.9
195.08133	1.1
197.05994	1.3
203.10762	0.9
207.10286	0.9
209.05872	1.4
211.07564	1.8
213.05472	1.5
221.06079	1.0
223.07637	1.0
224.04663	0.9
225.09204	1.7
227.07187	0.8
227.10704	1.5
229.05174	0.8
237.02797	0.8
238.06296	0.9
239.07216	0.8
241.05020	1.4
247.06154	1.0
252.99736	2.1
253.08662	1.5
254.99620	1.4
255.10315	0.9
270.08618	0.9
271.09695	1.4
275.05658	1.4
275.09076	0.8
285.11340	1.8
287.05643	1.2
287.12939	2.4
299.09262	1.1
300.02695	2.4
301.10907	1.7
303.08444	1.1
313.14453	1.3
316.05762	1.6
331.04486	4.5
331.08115	6.1
331.11938	14.1
332.12015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03956	1.4
55.01862	1.6
65.03925	1.6
69.03424	2.1
69.07053	1.1
70.72290	3.4
77.03880	1.1
79.05499	4.4
81.03414	2.7
81.07047	3.1
85.02933	1.0
91.05483	26.1
94.04185	3.2
95.04973	8.3
96.62411	1.0
97.02905	1.3
98.98471	21.9
103.05461	4.7
105.07014	4.4
107.04930	6.0
109.02853	1.3
109.06512	3.5
109.10162	3.8
111.04430	1.3
115.05478	2.4
117.07042	2.0
119.04946	18.1
119.08566	1.4
121.06529	5.7
121.10166	1.1
122.03658	5.6
123.08044	1.2
123.11726	3.1
127.03937	10.2
127.11181	1.3
128.06204	3.1
129.07004	14.6
131.04924	3.9
131.08574	1.7
133.06487	3.0
135.04379	1.4
135.08037	5.1
136.05225	3.5
137.05983	85.3
141.06958	1.2
143.04906	1.3
145.06441	3.2
147.04411	2.6
147.08031	1.8
149.05981	11.9
151.03915	3.9
151.07547	100.0
152.06198	2.6
153.06967	2.7
157.06493	13.6
161.05986	14.4
161.09641	3.2
162.58508	1.3
163.07539	21.0
165.07013	13.2
165.09106	3.8
166.07715	2.6
167.07195	2.3
167.08549	14.4
169.06497	2.0
169.12216	1.9
174.06796	4.9
175.07539	4.4
176.98935	2.4
177.06993	2.7
177.09093	2.4
178.07770	7.3
179.08614	2.1
179.10435	1.1
181.06517	4.6
181.10060	1.6
182.07300	3.4
183.08080	1.6
187.07503	1.3
189.09119	34.5
189.10561	1.4
191.08459	1.4
192.09427	1.8
193.06560	6.2
193.10120	7.4
194.07220	2.5
195.08064	22.4
196.08698	2.5
197.05983	5.6
197.09642	1.3
202.07748	2.3
203.08504	2.1
204.04193	1.2
205.06483	1.2
207.10204	6.1
207.11842	1.3
209.05959	3.7
209.09653	4.0
210.06725	9.6
211.07513	4.5
212.08301	4.6
213.08878	1.3
219.08157	1.6
220.08917	1.3
221.05989	8.2
221.09608	11.2
223.07567	12.0
224.08258	4.3
225.05537	2.1
225.09093	11.4
227.07086	2.4
227.10684	25.3
234.06804	1.6
235.07597	1.9
237.05443	1.4
237.09084	3.6
238.06274	5.6
238.09898	2.7
239.07069	4.0
240.07857	3.4
241.08752	2.1
241.12268	1.6
249.09225	6.2
252.07758	1.7
253.08603	16.4
253.12236	15.5
255.06374	1.3
255.07352	1.8
255.10159	29.2
267.10114	5.6
269.08133	5.6
269.11804	2.0
269.74750	1.1
270.08884	1.4
272.10422	3.0
281.11664	5.9
284.10434	1.7
285.11191	20.1
287.12796	51.3
298.12039	1.8
299.12756	1.8
300.02689	5.5
301.14316	3.5
303.04947	1.7
313.14291	18.2
331.04474	7.3
331.08005	1.3
331.12070	2.6
331.15457	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.4
64.61573	1.0
65.03928	1.6
67.05483	2.1
69.03425	1.4
70.56992	1.9
79.05473	3.5
81.03414	4.2
81.07046	5.5
83.04964	1.5
85.02895	1.9
91.05486	31.2
93.07058	2.0
94.04179	4.0
95.04978	5.5
95.08624	1.9
97.02905	1.9
98.98473	46.3
101.31792	1.1
103.05472	4.9
105.07028	5.8
107.04944	9.2
107.08601	2.3
109.02895	9.8
109.06496	5.3
109.10194	1.9
111.04461	1.7
115.05479	2.7
116.99471	2.0
119.04951	18.9
121.02858	3.7
121.06521	7.4
122.03647	8.6
123.04424	1.6
123.08028	1.7
127.03918	11.6
128.06224	5.0
129.07010	15.4
131.04932	7.3
131.08592	3.1
132.29352	1.3
133.06479	2.5
134.03658	2.2
135.08049	5.4
136.05215	3.9
137.05983	86.9
138.06364	1.2
143.04926	2.4
144.05667	1.6
145.06517	4.8
146.03658	2.4
147.04405	1.8
147.08040	1.3
148.05162	1.5
149.06004	14.8
150.06743	1.4
151.03871	4.8
151.07547	100.0
152.06212	2.8
152.07886	2.3
153.06963	3.2
157.06491	13.8
158.07246	1.8
159.08037	1.9
159.98509	1.1
160.05238	1.1
161.05975	13.2
161.09618	4.1
163.03835	2.3
163.07556	23.3
165.06993	12.6
165.09122	4.0
166.07756	3.2
167.03409	1.4
167.07190	1.7
167.08553	16.8
168.05711	1.6
169.06505	2.8
171.08055	1.3
173.05948	2.1
174.06793	7.8
174.99217	1.9
175.07585	5.4
176.98955	3.7
177.05502	2.0
177.09100	3.5
178.07727	6.6
179.08545	2.2
181.06503	4.5
181.08626	1.2
181.10106	1.5
182.07253	5.5
183.08064	1.1
184.08887	1.4
187.07568	2.3
189.09122	39.1
193.06506	7.6
193.08685	1.1
193.10158	9.1
194.07286	3.6
195.08073	25.5
196.08746	1.4
197.06017	6.8
197.09619	2.9
198.06668	1.3
199.07599	2.1
203.03438	2.3
203.08632	2.6
204.04279	1.3
205.06503	1.9
206.07335	2.6
207.08301	2.0
207.10158	6.5
209.06036	3.4
209.09680	3.8
210.06752	10.0
211.07555	4.4
212.08315	3.9
213.05371	1.7
214.06297	1.2
219.08157	1.7
220.08853	2.1
221.06044	10.0
221.09618	12.1
222.06737	1.6
223.07506	12.3
224.08238	6.2
225.05513	2.2
225.09071	9.4
227.07002	3.0
227.10666	31.0
232.03616	1.3
235.07484	1.4
237.09149	3.5
238.06238	6.0
239.07001	2.0
239.10796	2.9
240.07814	3.9
241.08571	2.4
241.12271	2.0
249.09076	7.6
252.07924	2.8
252.99603	1.3
253.08635	16.6
253.12268	15.9
255.06473	1.7
255.10179	30.1
256.10629	1.4
257.04501	1.2
260.03183	1.6
261.03906	1.8
267.10083	7.0
269.08118	5.9
269.11749	2.5
270.08929	2.5
272.10349	3.2
273.04004	7.3
281.11713	8.1
284.10513	1.7
285.11212	22.5
287.12796	63.1
288.02582	2.0
298.11981	2.4
299.05612	2.0
299.12628	1.8
300.02673	5.3
301.03430	10.0
301.14319	2.5
303.05078	3.5
313.14362	18.2
315.04968	2.8
316.02249	1.5
316.05753	21.5
317.02710	1.9
331.04410	17.8
331.08133	39.8
331.11749	8.9
331.15399	13.6
332.05182	12.6
332.08585	2.2
342.80106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
54.88849	2.4
62.63150	2.0
64.92268	2.1
67.71792	2.3
69.42346	18.5
71.47936	1.9
72.94193	2.2
73.77954	2.3
75.18395	2.1
81.07066	2.5
91.05490	27.9
93.19378	2.1
95.04966	5.8
96.19969	2.0
98.21445	3.8
98.98471	33.2
103.05466	5.6
105.07009	3.6
105.87533	2.3
107.04926	5.2
109.06533	6.8
109.10169	2.1
112.55368	2.1
119.04934	16.5
121.06515	6.4
122.03677	7.0
127.03917	8.0
128.06232	5.6
129.07019	15.1
131.04936	7.8
135.08084	6.4
136.05219	2.8
137.05981	77.9
145.06451	4.9
146.03673	2.6
148.05190	2.7
149.05988	14.8
151.07545	100.0
152.06232	2.9
157.06523	12.0
161.05980	14.4
161.09604	4.3
163.07541	21.3
165.06993	8.6
165.09164	5.5
167.07318	2.6
167.08540	15.9
174.06783	8.2
175.07510	5.1
176.98933	2.7
177.07019	3.0
177.09093	2.7
178.07819	7.0
181.06525	3.6
182.07364	2.6
183.07884	2.3
189.09113	41.8
192.09474	2.4
193.06519	7.5
193.10118	9.9
194.07167	2.7
195.08069	24.3
196.05090	2.6
196.08740	2.4
197.06006	5.4
207.10123	5.3
209.09624	5.7
210.06744	9.1
211.07468	6.1
221.06038	10.3
221.09532	10.5
223.07565	10.4
224.08249	6.0
225.09111	7.4
227.07178	3.1
227.10666	28.6
234.06821	2.6
237.05553	2.1
237.09123	5.2
238.06332	5.5
239.06947	2.7
239.10666	2.6
240.07866	5.2
249.09122	6.0
252.07877	3.4
253.08626	15.3
253.12213	18.6
255.10144	30.8
267.10214	8.6
269.08142	5.6
269.11520	2.8
270.08762	3.8
272.10458	5.7
281.11774	6.5
285.11255	26.1
287.12802	56.4
292.24777	2.3
301.14316	2.4
313.14304	19.8
331.04523	2.8
331.11688	11.0
331.15421	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
55.01876	1.8
55.05502	1.2
56.96555	1.2
57.03417	0.9
57.07082	0.9
65.03962	1.2
67.05505	2.9
69.03433	3.5
69.07071	2.0
70.02911	2.1
70.03325	3.1
70.06583	1.1
79.05490	3.6
80.64652	1.0
81.03416	3.7
81.07071	5.1
83.04985	1.4
85.02924	2.5
91.05484	21.5
93.07073	1.8
94.04212	2.1
95.04988	4.9
95.08620	3.1
97.02905	1.7
97.06584	0.9
98.12949	0.7
98.98473	100.0
99.04450	0.9
99.98496	0.8
100.98914	2.7
103.05488	4.1
105.03417	0.8
105.07027	5.2
107.04951	6.0
107.08614	1.8
109.02911	3.4
109.06516	4.9
109.10168	2.9
111.04477	1.6
111.08083	1.4
115.05436	1.9
116.98758	1.0
116.99495	4.6
117.07023	1.7
119.04951	13.6
119.08595	2.0
121.06529	4.6
121.10155	1.5
122.03665	5.8
123.04411	1.5
123.08107	2.8
123.11690	1.8
125.06053	0.9
127.03925	41.8
128.04269	0.9
128.06241	3.2
129.07005	11.1
131.04955	7.2
131.08565	1.9
133.04980	2.7
133.06516	3.8
133.10121	1.7
134.03636	1.8
135.08078	4.0
136.05229	2.6
137.05986	67.6
139.03915	1.0
140.04912	1.0
141.07091	0.9
142.07753	1.1
143.04961	1.7
145.02879	1.0
145.06493	3.5
146.03709	1.3
146.07303	1.4
147.04402	2.4
147.08118	1.5
149.05980	10.8
149.79391	0.9
150.06639	0.9
151.03929	9.3
151.07553	74.5
152.06226	4.2
152.75105	0.9
153.01929	0.9
153.07005	2.9
155.06085	2.1
157.06506	12.1
158.07323	1.5
159.08058	1.0
161.06009	11.2
161.09669	3.0
163.03999	1.3
163.07550	15.7
165.07010	11.2
165.09073	4.0
166.07716	2.1
167.07138	1.4
167.08562	10.3
168.05663	1.2
169.06459	2.5
169.07693	1.9
171.08035	1.1
174.06790	4.5
174.99257	5.7
175.07565	4.1
176.98929	9.4
177.05515	2.5
177.09146	1.9
178.07831	4.1
179.08548	1.9
180.05731	1.2
181.06421	4.8
181.10092	1.0
182.07297	4.1
183.08064	3.3
185.05962	1.9
185.09718	0.9
186.06830	2.4
187.07552	1.6
189.09106	26.6
189.10710	1.9
191.07071	1.0
191.08592	2.0
192.09294	1.2
193.06419	4.8
193.08694	1.0
193.10196	5.1
194.07375	2.6
195.05583	2.4
195.08057	19.0
196.05190	1.5
196.08717	1.0
197.05888	6.3
197.09793	2.1
198.06757	1.0
199.07500	1.4
199.11328	1.0
202.07887	1.5
203.03571	1.1
203.08568	2.5
207.06383	1.2
207.08255	1.8
207.10170	3.9
209.05936	4.5
209.09673	2.5
210.06764	7.5
211.07500	6.1
212.08284	4.0
212.48703	0.9
213.05385	2.7
213.07158	1.0
213.08998	1.4
214.06200	2.0
217.04996	1.0
220.08890	0.9
221.05962	7.6
221.09529	9.6
223.07553	9.2
224.08334	3.4
225.06772	2.8
225.09004	7.8
226.06358	1.0
227.07062	3.1
227.10669	20.4
228.07626	1.5
229.06146	1.4
230.05786	1.0
232.03830	0.8
237.05502	1.4
237.09171	2.6
238.06264	4.8
238.09834	1.9
239.06906	2.0
239.10681	1.2
240.07843	2.7
241.04926	1.1
241.08597	2.9
241.12213	1.3
242.05673	5.2
242.09473	1.4
243.10161	1.4
245.04451	3.1
249.09070	4.6
252.07947	2.0
252.99788	2.1
253.08615	11.0
253.12250	12.2
255.06503	2.2
255.10179	22.5
257.08163	1.6
258.05304	1.9
263.10614	1.1
267.07590	1.9
267.10245	6.1
269.08130	4.8
269.11667	2.0
270.05289	13.2
270.08334	1.5
271.07092	4.6
271.09781	2.1
272.10455	3.3
273.03958	3.4
273.07352	1.6
281.11676	4.6
285.04004	1.4
285.08566	5.6
285.11279	14.7
286.04684	1.4
287.05847	2.2
287.09552	2.1
287.12796	41.1
288.13098	1.1
295.07208	3.5
297.03986	1.5
298.04791	7.2
299.05597	1.8
299.09375	2.2
299.12778	1.4
300.02692	1.3
301.03314	7.8
301.14484	2.0
302.04279	1.5
303.05057	1.6
303.12329	2.4
313.08319	12.4
313.14304	13.6
315.05026	6.8
316.02368	1.7
316.05795	13.3
316.09109	1.9
317.06107	1.3
331.04361	5.1
331.08234	64.2
331.11823	31.3
331.15546	6.7
332.05194	1.9
332.08615	3.7
332.12167	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
54.28245	0.5
55.01864	0.8
55.05495	0.7
56.96572	1.0
57.03418	0.6
57.07075	0.9
59.40865	0.5
65.03941	0.8
67.05497	1.5
69.03422	2.1
69.07082	1.2
70.06586	1.2
71.04993	0.8
71.59261	0.9
79.05488	1.7
81.03416	1.8
81.07056	1.9
84.08146	0.7
85.02918	3.2
85.06544	0.8
85.96421	0.5
86.09681	0.8
87.04449	0.9
91.05480	7.0
93.07063	0.5
95.04974	1.5
95.08607	1.1
97.02914	1.9
97.06522	0.8
98.97586	3.3
98.98466	54.2
99.04432	0.7
100.98880	1.4
103.05457	2.3
104.26968	0.6
105.07032	2.8
107.04955	5.5
107.08569	0.6
109.02891	1.1
109.06532	0.7
109.10168	1.9
111.08128	0.6
115.05473	1.3
116.98618	2.7
116.99490	2.4
117.07022	0.9
119.04938	3.3
119.08608	0.8
121.06512	1.7
121.10190	0.6
122.03654	1.5
123.11729	1.9
124.07610	1.6
127.03931	12.0
128.06245	1.2
129.07022	3.1
129.82173	0.6
131.04930	2.5
131.08543	1.3
133.06482	1.1
133.10141	0.9
134.99654	1.6
135.08083	2.1
136.05139	1.1
137.05974	18.9
140.01056	0.7
143.08635	0.6
144.05548	0.6
145.06477	0.8
149.05977	3.7
150.06781	0.8
151.03912	1.6
151.07552	18.4
151.11131	0.7
152.06178	1.1
157.06531	3.1
158.99687	0.6
159.08092	1.2
161.05971	10.9
161.09654	2.5
163.07545	8.6
165.05632	0.7
165.07022	2.6
165.09109	0.5
166.07773	0.8
167.07074	1.6
167.08580	3.8
169.06772	0.6
169.08382	8.8
169.12242	9.2
174.06795	2.0
174.99216	3.0
175.07564	0.8
176.98952	6.1
177.00620	1.3
177.09164	0.9
178.07730	0.7
179.06920	0.6
181.06569	1.1
181.08466	1.1
182.07292	0.7
183.31383	0.5
184.05321	0.5
185.04227	8.9
187.07541	0.9
189.09106	11.4
191.08569	0.6
193.06508	1.5
193.10088	1.3
195.08025	5.7
196.08841	0.9
197.05959	1.1
197.09554	0.6
203.05267	4.4
203.08469	1.0
204.07733	1.0
207.08379	1.0
207.10179	6.1
210.06810	2.6
211.07567	1.3
212.08266	1.1
219.10168	0.7
221.05919	2.0
221.09621	2.6
223.07591	2.3
224.08296	1.5
224.66513	0.6
225.09145	2.2
227.10655	5.3
230.05736	0.5
231.10193	0.7
238.06169	1.5
239.07077	1.0
239.57414	0.8
240.07881	0.7
241.05066	0.7
249.09016	1.2
252.99805	1.4
253.08636	3.0
253.12248	2.7
255.10190	5.4
267.10159	0.8
267.17130	0.8
269.08182	0.9
271.09634	0.7
272.10532	0.9
281.11710	1.0
285.11298	3.5
285.18243	0.8
287.12781	9.1
311.09656	1.3
313.14502	3.1
313.17572	0.6
320.10202	3.1
331.13651	100.0
332.13916	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	331.1025
Annotation	32142-31-7
Peak:m/z	Relative Intensity
50.42430	0.2
55.01865	0.3
56.96561	0.4
57.03431	0.3
57.07057	0.2
67.01878	0.5
67.05499	0.6
68.99788	0.4
69.03417	1.3
70.06591	0.9
71.59705	0.3
71.60094	0.4
78.44279	0.3
79.05451	0.3
81.03385	0.9
81.07058	0.6
84.04499	0.4
85.02911	2.3
91.05485	1.2
95.04958	1.2
95.08608	0.5
97.02900	1.2
97.06554	0.3
98.98473	22.1
100.98880	0.5
105.07063	0.4
105.64725	0.2
107.04967	0.3
109.02903	0.5
109.10175	0.4
115.05473	0.2
116.98666	0.4
116.99496	1.0
117.39175	0.2
119.04982	0.4
119.08537	0.3
121.06567	0.4
123.04439	6.6
124.07600	1.1
127.03923	9.9
129.06982	0.4
133.10173	0.3
137.05952	1.4
145.05008	0.4
145.10275	0.3
149.06013	0.5
151.03909	14.7
151.07500	1.3
152.04207	0.3
153.05476	0.3
161.05902	0.5
161.09563	0.3
163.03867	0.3
163.07588	0.3
165.06963	0.6
167.07121	0.3
167.08458	0.3
169.04970	100.0
170.05324	2.4
170.12917	0.3
174.99205	1.3
176.98970	2.5
189.09111	0.5
210.06898	0.4
211.07689	0.4
221.05995	0.3
235.05968	0.3
243.09975	0.3
252.99785	0.7
253.08614	0.5
255.10068	0.3
271.09766	0.5
285.11295	0.3
287.12857	0.7
299.08838	0.4
313.10867	0.4
322.27365	0.3
331.04309	1.1
331.08139	0.8
331.11731	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	331.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28288	0.4
53.03955	0.4
55.01846	0.5
55.05479	0.9
57.03404	0.9
57.07044	0.5
57.70130	0.4
58.99561	1.3
65.03918	0.8
67.05514	3.1
68.05009	1.7
69.03428	0.9
69.07072	5.8
70.06565	1.8
70.85336	1.3
73.02905	0.4
74.00650	0.6
74.02478	0.5
74.97806	0.4
76.02232	3.0
79.05487	2.0
80.04990	1.3
81.03410	0.5
81.06666	0.4
81.07063	6.7
83.04958	0.4
83.06116	3.2
84.04485	1.3
84.08123	0.9
85.02905	0.7
85.10156	0.4
86.00621	1.0
86.99036	1.3
87.02666	1.9
87.04477	0.5
88.04776	0.6
91.05460	0.5
93.05756	0.8
93.07027	0.5
93.11053	0.5
94.06573	15.9
95.04967	2.5
95.08588	1.1
95.82055	0.4
96.04477	0.9
97.02896	0.4
97.06504	1.3
98.06022	0.7
98.98473	30.0
99.08085	0.7
105.00074	0.7
105.07052	0.9
106.06510	0.7
108.08101	1.5
109.02898	0.6
109.07562	0.5
109.10149	0.8
110.06038	3.7
112.07615	2.7
112.79491	0.4
114.05528	0.5
115.07235	0.4
116.04989	3.0
116.99500	1.0
118.06538	0.9
120.08105	0.7
122.06036	34.0
122.09653	0.5
123.04400	1.8
123.08083	1.0
124.07570	1.7
127.03928	7.2
127.05782	0.5
129.06599	6.4
130.04999	0.6
131.04884	0.5
134.05989	0.6
137.05965	0.8
140.07071	46.2
141.07867	2.8
142.08650	0.8
144.04457	6.2
146.06015	22.2
147.06676	0.8
148.07574	9.3
151.03868	0.6
151.11148	0.5
154.08575	0.6
156.08415	4.7
157.06833	2.4
162.05507	3.7
162.47606	0.4
163.03908	0.5
164.07030	1.0
167.07095	1.1
169.04942	2.3
172.03949	22.9
172.09660	0.5
173.04333	0.6
174.05518	2.0
174.09538	3.7
174.99222	1.5
175.11737	0.5
176.98929	2.8
187.05365	0.5
190.05002	100.0
191.05447	1.8
192.06543	10.6
201.09798	0.6
210.11322	0.4
211.06041	0.5
233.05956	1.9
235.06010	0.5
242.11752	0.8
247.06050	0.7
267.11185	0.8
268.15302	0.5
286.10794	2.2
287.13928	0.4
313.11801	4.5
331.13098	17.7
331.19034	2.0
332.13397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82664	0.8
55.01868	3.4
56.96597	1.3
57.03444	2.4
60.89466	1.0
61.02940	1.4
67.01888	1.1
67.05507	1.4
69.03432	2.6
69.07057	1.6
70.06585	3.2
70.59352	0.9
70.66557	1.6
71.08652	1.1
72.08164	1.2
73.01179	0.8
79.05490	1.7
81.03420	4.0
81.07053	2.3
84.04556	1.4
85.02905	10.6
91.05518	2.2
95.04980	2.6
95.08582	1.1
97.02890	2.8
98.98473	100.0
100.98882	2.7
103.03967	2.1
105.03426	1.3
105.07058	2.8
107.04965	1.5
109.02900	5.0
116.98679	1.6
116.99498	4.0
119.01955	0.9
119.04961	2.5
121.02919	2.0
122.06052	3.6
123.04448	5.6
123.05334	0.9
125.06019	3.7
127.03928	26.1
129.48814	1.0
131.04863	0.9
132.04424	3.0
133.02876	1.5
133.06499	2.4
135.04408	1.2
137.05971	2.8
139.03914	2.3
140.07108	4.4
145.06494	1.1
146.06061	2.5
147.04427	5.6
149.06038	1.3
151.03900	12.3
151.07568	2.5
151.11308	0.9
161.02951	2.8
161.05988	3.0
163.03915	7.4
164.10698	1.1
165.05482	8.1
167.06989	1.4
169.04980	10.3
169.08606	9.4
172.04013	1.6
174.99245	6.1
175.03963	5.2
176.98936	11.0
179.07100	1.5
181.04971	26.5
181.72554	1.0
187.03923	2.8
187.05936	1.3
189.05515	3.9
190.04988	7.6
193.04973	40.3
194.05348	1.1
195.02917	1.0
203.03922	1.2
205.04977	4.8
207.02821	1.3
207.06523	13.7
211.06024	31.5
211.08000	1.6
212.06494	1.4
213.05453	1.2
217.05023	2.3
219.06577	1.7
229.04942	6.5
231.06586	1.6
233.04385	1.3
235.06018	34.1
241.05014	3.2
247.03429	1.9
247.06032	32.8
248.06435	1.0
252.99782	1.7
259.06039	16.0
265.07120	4.7
277.07080	9.8
285.03818	1.3
295.08112	7.7
313.09055	2.0
320.10229	1.9
331.04367	2.3
331.12982	3.8
331.19547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	Morelosin
Peak:m/z	Relative Intensity
53.03933	0.9
55.01881	0.7
55.05513	0.8
55.46310	0.5
56.96569	0.6
57.03443	1.2
57.07071	0.9
61.21070	0.5
65.03947	0.5
67.05509	2.7
69.03441	3.4
69.07072	6.6
71.04971	1.2
71.59822	0.7
79.05494	1.6
81.03428	1.9
81.07065	6.9
83.08611	0.7
85.02898	2.0
86.97507	0.5
91.05481	3.1
93.07056	1.7
95.04952	1.5
95.08607	2.8
97.02894	3.3
97.06522	0.6
98.98473	65.8
99.04471	1.2
100.11251	0.6
100.98886	1.0
105.07053	1.3
106.32571	0.5
107.04973	0.9
107.08581	2.6
108.02168	0.7
109.02893	2.0
109.06514	0.6
109.10166	11.2
111.20995	0.5
116.98713	1.0
116.99473	3.3
117.07047	0.7
119.04991	1.0
119.08583	1.6
121.02872	4.6
121.06520	1.0
121.10155	1.0
123.08102	0.7
123.11710	8.6
127.03928	22.3
127.11179	3.1
129.06944	0.9
132.04521	0.7
133.06514	0.9
133.10162	1.7
137.05994	5.2
140.01086	1.6
143.08623	0.7
145.04994	1.8
145.10120	1.0
147.04356	0.9
147.08252	0.6
149.02356	1.0
149.06020	1.5
151.03889	1.2
151.07561	2.2
151.11220	3.2
152.06250	0.8
153.07027	2.1
155.08559	1.0
157.06500	1.2
157.10092	0.7
158.07329	2.2
161.06029	0.7
163.07654	0.7
165.07001	2.0
167.07074	1.5
167.08504	1.1
168.05724	1.7
169.06503	1.7
169.12273	3.2
174.03137	0.8
174.99236	3.7
175.07500	0.6
176.98953	7.2
177.05513	1.0
177.09113	0.6
181.06529	2.6
182.07181	0.7
183.08107	2.4
185.05974	2.3
186.06773	1.9
187.06239	0.6
196.05238	1.5
197.06029	2.2
197.13261	0.6
198.06784	0.9
199.07645	1.0
207.06459	0.8
209.05954	0.7
210.06870	2.2
211.07622	3.4
212.08334	0.8
213.05499	5.6
213.08925	0.8
214.06230	2.1
225.09082	1.2
226.06314	0.6
227.07086	1.4
227.10672	0.8
228.07849	1.3
230.05777	1.2
237.05472	0.9
238.06296	1.5
239.07039	1.5
241.04933	2.0
242.05753	32.3
243.06203	1.0
243.10139	0.7
249.41330	0.6
252.99779	1.0
253.05064	0.7
253.08554	0.8
254.99493	0.8
255.06529	1.3
256.07416	1.5
257.08286	0.9
269.04358	1.3
270.05249	28.6
271.09601	1.7
273.04047	0.9
273.07532	1.1
281.04205	0.7
285.11401	0.8
286.04718	0.8
287.05518	2.0
287.12747	0.9
288.06363	0.8
288.10022	1.0
298.04758	20.5
299.05310	1.2
299.09192	1.1
301.03497	1.3
315.05121	3.9
316.05792	15.9
316.09106	1.8
317.06323	0.7
331.08127	100.0
331.11807	29.1
332.08624	4.9
332.12186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.03955	0.7
55.01872	1.8
55.05509	0.8
56.96564	1.2
57.03443	1.4
57.07058	1.7
59.35781	0.6
61.02915	1.4
67.05513	1.1
68.99787	1.0
69.03435	3.4
69.07057	1.9
70.06602	4.0
71.04986	0.9
71.59115	0.6
72.08154	1.0
79.05498	0.9
81.03435	3.2
81.07068	1.7
82.98135	0.6
83.05000	0.8
84.04494	1.0
84.08157	1.7
85.02912	6.8
86.09708	2.1
91.05477	2.2
93.07068	1.0
94.06588	1.3
95.04980	1.8
95.08600	1.7
97.02894	3.4
97.06524	0.7
98.98470	100.0
99.04448	0.8
100.98886	2.5
103.03925	1.3
103.05446	0.8
105.07040	1.2
107.05022	0.9
109.02881	4.1
109.06508	0.7
109.10113	1.3
111.04472	0.9
116.98700	1.1
116.99512	5.3
119.04943	1.3
119.08626	1.1
121.06557	1.0
121.10143	0.7
122.06023	3.6
123.04424	4.0
124.07584	1.9
125.05989	1.7
127.03923	44.3
128.04266	1.2
129.10228	1.0
130.09749	0.6
131.04907	0.9
132.04462	6.2
133.06494	1.2
134.99660	1.0
135.04501	1.3
137.05956	3.3
139.03894	3.2
139.76759	0.6
140.07060	4.3
144.04443	0.8
146.05988	2.7
147.04410	3.4
148.07579	0.9
150.09120	0.7
151.03911	5.4
151.07550	1.3
157.06470	0.9
161.05977	1.5
163.03944	4.3
164.10750	0.7
165.05556	3.3
165.06973	0.8
167.07060	1.1
169.04959	5.5
169.08621	3.8
172.03969	1.9
174.99252	5.0
175.03957	1.8
176.98926	9.6
177.05402	1.3
179.06946	1.1
181.04962	10.6
187.03960	1.7
187.06059	1.3
189.05511	2.0
190.05000	9.6
193.04979	17.2
205.04865	3.0
207.06485	4.5
211.06029	12.6
219.01726	1.7
229.05098	3.1
231.06638	0.9
235.06007	11.8
237.02850	1.3
241.05066	1.3
247.06027	15.3
247.08420	1.1
252.99809	2.2
254.99577	0.9
259.06055	6.4
265.07126	2.1
277.07147	4.6
285.03922	3.0
295.08157	2.1
311.09805	0.8
313.17947	1.1
313.27429	1.2
331.04559	2.2
331.12759	2.3
331.19458	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	331.0814
Annotation	Dillenetin
Peak:m/z	Relative Intensity
52.67229	1.0
53.03954	1.0
55.01884	1.0
55.05495	1.2
56.96560	0.9
57.03434	0.9
57.07085	1.0
61.02936	1.0
66.92453	0.9
67.05524	4.5
69.03423	3.8
69.07071	2.4
71.08625	1.1
71.60884	1.2
72.44180	0.9
79.05492	2.4
81.03410	3.0
81.07048	3.6
83.04962	0.9
85.02909	3.2
91.05492	5.8
93.07039	1.9
93.31704	0.9
95.04977	1.7
95.08595	3.3
97.02895	2.7
97.06355	0.8
98.98473	100.0
99.04463	1.0
100.98876	2.5
103.05473	1.2
105.07019	1.2
107.04966	2.2
107.08606	2.3
109.02870	3.7
109.10181	2.2
109.98890	0.9
116.98701	1.3
116.99451	4.6
119.04955	1.5
119.08577	2.1
121.06508	1.8
121.10104	1.2
123.11741	2.2
127.03928	69.6
131.04871	1.0
131.08618	1.5
133.06503	2.3
133.10149	2.8
135.04361	0.9
135.08073	1.0
137.05992	8.5
140.01073	2.6
145.10106	1.3
147.04378	1.4
149.06013	2.8
149.14375	0.9
151.03952	2.6
151.07562	2.7
151.11162	0.9
151.45558	0.8
152.06209	1.5
153.01807	1.5
153.07007	2.7
154.07840	1.2
155.08580	1.8
157.06493	2.7
161.06009	1.4
163.07539	1.3
165.07024	6.1
167.07047	3.2
167.08481	2.0
168.05719	3.2
169.06541	2.0
170.07384	1.2
174.99248	5.9
176.98943	10.9
177.05505	1.6
181.06459	5.9
182.07303	2.4
183.04419	1.4
183.08032	5.4
184.05128	1.6
185.05988	3.6
185.09616	0.9
187.06003	1.8
187.07527	1.1
187.42773	1.1
189.09122	1.5
191.07053	3.1
193.06314	0.9
194.07251	1.4
195.08107	2.0
196.05162	2.9
197.06015	4.0
198.06779	2.6
199.07466	2.5
209.05725	2.1
210.06752	2.8
211.07524	6.2
212.08376	2.3
213.05431	4.7
213.09088	1.8
214.06331	1.9
217.05019	3.3
221.06000	2.0
223.07555	1.5
225.05559	2.3
225.09077	1.7
227.06975	3.9
228.07788	2.6
230.05811	3.6
233.08092	1.0
237.05496	1.0
238.06268	3.4
239.06998	3.1
240.07635	1.6
241.04918	2.0
241.08617	2.3
242.05785	1.2
243.06558	1.6
243.10162	2.3
245.04488	7.2
252.99681	2.7
253.08649	2.3
254.99506	1.3
255.06613	1.5
256.07291	2.5
257.08112	1.7
271.09680	4.4
272.10422	2.2
273.03989	6.5
273.06958	1.1
277.21606	1.2
281.08148	1.9
287.05515	1.9
288.06216	2.5
299.05759	2.1
299.09131	1.9
300.02722	1.3
301.03455	13.7
302.11453	1.3
303.12354	1.4
313.10907	1.1
315.04941	11.7
316.05811	53.2
316.09088	2.8
317.06088	1.9
331.08051	80.8
331.11795	68.6
331.15527	3.3
331.18701	2.1
332.08276	3.7
332.12006	1.8
349.16956	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.08
Annotation	Dillenetin
Peak:m/z	Relative Intensity
51.66778	0.1
55.01842	0.1
57.03413	0.1
65.03886	0.1
67.05483	0.2
69.03410	0.4
69.07059	0.2
71.57702	0.2
79.05478	0.1
81.03391	0.4
81.07033	0.4
85.02897	0.2
91.05450	0.4
92.02618	0.3
93.03393	0.1
93.07018	0.2
94.78768	0.1
95.01340	0.6
95.04957	0.3
95.08579	0.3
97.02884	0.2
98.98465	10.2
100.98891	0.1
107.04926	0.2
107.08572	0.2
108.02110	0.2
109.02866	0.5
109.10156	0.4
110.03658	1.8
111.04433	0.3
114.10323	0.1
116.99493	0.4
119.08617	0.1
121.02876	0.6
121.06480	0.1
122.03617	0.3
123.00791	0.2
123.04405	0.3
123.11692	0.2
127.03915	2.3
133.06477	0.1
137.02341	4.6
137.03310	0.2
137.05980	0.6
140.01041	0.2
140.04698	0.1
145.10107	0.2
149.02336	0.4
149.05975	0.2
150.03134	0.4
151.03905	0.9
151.07542	0.3
152.06219	0.2
153.06987	0.2
155.04945	0.1
157.06450	0.2
161.05954	0.3
161.09579	0.1
163.03883	0.1
163.07536	0.2
165.07004	0.5
167.03403	1.4
167.07028	0.2
168.04147	0.2
168.05707	0.1
171.04428	0.2
173.05896	0.1
174.99185	0.6
176.98914	0.9
177.05447	0.2
179.03406	0.3
180.04144	0.2
180.53601	0.1
181.06470	0.4
182.07245	0.2
183.04526	0.1
183.08083	0.4
183.11574	0.1
184.05215	0.2
184.13223	0.1
185.05992	0.3
189.05455	0.3
189.09116	0.2
190.12299	0.1
191.06979	0.1
195.08073	0.2
196.05162	0.2
197.05981	0.3
197.61696	0.1
198.06683	0.1
198.83836	0.1
199.03865	0.6
199.07622	0.1
201.05498	0.2
202.14386	0.2
203.03488	0.1
203.06914	0.1
206.05727	0.1
207.02846	0.7
207.04465	0.1
207.06348	0.2
209.05818	0.3
210.06749	0.2
211.07480	0.6
212.04646	0.3
213.05482	0.6
213.09045	0.1
214.06252	1.0
215.07013	0.1
217.04900	0.8
224.04918	0.1
225.05371	0.1
225.09018	0.1
227.03394	0.6
227.06978	0.3
227.10811	0.1
228.04146	0.2
228.07809	0.2
229.04912	0.5
230.05634	0.2
231.02885	0.3
231.06534	0.4
232.07332	0.3
237.05180	0.2
238.06210	0.2
239.03958	0.1
239.06978	0.2
241.04944	0.7
241.08603	0.1
242.05725	2.9
243.06461	1.1
243.10277	0.1
245.04448	2.1
249.03973	0.2
252.99731	0.3
253.08449	0.1
255.02884	0.1
255.06477	0.2
256.07187	0.1
257.04477	0.5
257.08145	0.2
258.05240	0.4
259.06021	1.8
260.06772	0.3
269.04437	0.3
270.05240	0.9
270.08173	0.2
271.06036	1.8
271.09586	0.4
272.03180	0.2
272.10403	0.1
273.03940	13.6
274.04333	0.3
283.05942	0.1
285.03937	0.3
286.04755	0.8
287.05493	7.8
288.06277	4.8
289.06656	0.1
299.05527	1.5
299.09116	0.3
300.02692	0.5
301.03482	0.3
301.06671	0.1
315.04987	16.9
316.05768	68.9
317.06119	1.9
331.08118	100.0
331.11438	5.6
332.08453	2.8
332.12418	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	331.0812
Annotation	Dillenetin
Peak:m/z	Relative Intensity
54.14817	0.4
70.14807	1.8
95.01315	0.6
95.04959	0.6
95.46637	0.5
97.10193	0.6
98.21465	0.6
98.98469	14.4
110.03672	0.9
127.03916	9.3
137.02345	4.5
137.05960	0.7
145.10031	0.6
150.03181	0.7
167.03453	1.6
171.04465	0.5
176.98993	1.0
185.05847	0.5
199.04039	0.7
200.01225	0.5
211.07552	0.5
213.05531	0.9
214.06250	0.9
217.05023	0.9
222.32228	0.6
241.05029	0.8
242.05682	2.4
243.06596	0.6
245.04507	1.6
252.99753	0.8
256.59467	0.5
259.06064	1.7
270.05380	0.6
271.06009	1.6
273.03943	12.3
287.05463	7.2
288.06320	5.0
295.21561	0.6
299.05533	1.4
315.05023	14.3
316.05777	63.8
317.06140	1.5
331.08124	100.0
331.11328	4.2
332.08484	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0815
Annotation	Morelosin
Peak:m/z	Relative Intensity
53.03957	0.4
56.96558	0.5
65.94240	0.4
67.05496	1.0
68.99770	0.6
69.03427	0.6
69.07090	0.6
70.71341	0.4
70.71699	1.2
79.05493	0.6
81.03387	1.0
81.07040	1.4
85.02898	1.3
87.04507	0.5
91.05470	3.1
93.07041	1.0
95.04958	1.0
97.02887	1.0
98.98468	38.5
100.98874	0.7
103.05460	0.9
105.07022	0.9
107.04942	1.5
107.08589	0.8
109.02865	0.9
109.06461	0.6
109.10154	1.6
116.99488	1.9
117.07053	0.6
119.04913	1.6
121.02848	0.5
121.06475	0.9
122.03667	0.7
123.04416	0.7
123.11748	0.7
127.03918	7.3
127.11156	0.5
129.06989	1.3
130.07773	0.7
130.58543	0.5
131.04935	1.3
131.08540	0.5
133.04968	0.6
137.02374	1.4
137.05978	8.5
140.04829	0.5
141.06981	0.7
147.04424	1.0
149.02367	0.6
149.05984	1.9
151.03926	2.3
151.07538	9.3
152.06268	0.8
153.01845	0.9
153.06895	0.7
155.06042	0.5
157.06470	2.2
158.07210	2.0
159.08023	0.5
161.05927	1.0
163.07561	1.8
165.05545	0.8
165.07021	2.1
167.07039	1.2
167.08540	1.1
168.05754	2.3
169.06369	0.7
169.07634	1.3
174.99232	1.6
175.07538	0.6
176.98955	3.3
178.07841	0.5
181.06378	1.0
182.07312	0.6
183.08093	1.1
185.05963	1.3
186.06796	4.9
189.09131	3.6
193.10255	0.5
195.05518	1.6
195.08086	2.0
196.05063	2.1
197.05817	2.2
203.03418	2.5
210.06776	1.1
211.07588	1.4
212.04811	0.7
212.08362	1.0
213.05373	3.6
214.06253	4.2
221.07355	0.6
221.09563	1.3
223.07513	1.0
224.04716	1.6
225.05518	1.6
225.09094	1.1
227.07059	0.9
227.10622	2.5
228.07817	1.0
229.06105	0.7
238.06192	0.9
239.06718	0.5
240.07904	0.7
241.04988	1.8
242.05745	5.5
245.04480	0.5
249.09195	0.7
252.04237	0.9
252.99751	1.0
253.04829	2.1
253.08615	1.8
253.12190	1.3
255.10147	2.7
260.03085	0.6
267.07678	0.9
269.04425	1.5
269.07983	0.6
270.05231	32.8
271.06985	2.1
271.09747	1.0
273.03983	1.4
277.05991	0.9
281.04465	1.5
281.11612	0.6
285.04034	2.2
285.08572	2.2
285.11362	1.5
286.04773	1.0
287.05481	5.3
287.12695	4.8
295.07074	1.2
297.03964	6.0
298.04706	13.8
299.05432	5.1
299.12677	0.6
300.02606	1.9
301.03281	1.2
302.04211	2.4
303.04919	1.0
313.08228	4.8
313.14255	1.4
315.04962	13.2
316.05750	12.7
316.08850	0.5
317.06219	0.6
331.04605	5.3
331.08136	100.0
331.11768	10.4
332.05124	0.7
332.08490	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01890	1.0
55.05511	8.7
56.96573	1.7
57.03436	1.6
57.07069	2.0
61.98101	1.0
67.05508	11.6
68.18098	1.0
68.27338	1.0
68.91660	1.0
69.03426	1.8
69.07076	7.3
70.06598	1.2
71.04983	2.1
71.08627	4.3
71.26335	2.2
78.23178	1.1
79.05505	7.3
81.03415	2.7
81.07062	16.3
83.04995	5.0
83.08646	5.1
85.02877	1.1
85.06564	1.7
87.04475	5.6
88.07614	1.9
91.05483	5.4
91.52678	1.0
93.07055	15.3
95.04965	3.3
95.08614	10.5
97.02959	1.2
97.06548	2.9
97.10169	3.5
98.98471	100.0
99.08087	3.7
100.11269	1.5
100.98910	2.8
101.06013	1.9
105.07006	5.3
107.08603	5.4
109.02906	2.2
109.06483	1.2
109.10151	3.0
111.08079	1.8
111.71421	1.0
116.99500	4.6
117.07028	2.5
119.08576	5.7
121.10155	4.1
123.11710	1.0
125.09632	2.4
127.03924	37.3
128.75194	1.0
129.07018	1.3
131.04887	1.3
131.08563	1.8
133.10136	4.1
135.11690	3.8
137.09615	1.5
137.75555	1.0
139.11186	6.9
140.01088	3.3
145.10167	1.9
147.11691	3.3
149.09676	1.2
149.13264	5.2
151.11172	3.2
157.10107	1.7
159.11729	2.7
161.13292	2.8
163.11209	2.1
163.14769	1.2
165.12738	1.4
171.11674	1.1
174.99261	6.7
175.11157	1.2
175.14882	1.3
175.99704	1.1
176.98895	9.1
177.12810	2.2
177.99173	1.3
179.14343	2.1
185.13300	2.3
189.11256	4.7
193.12289	1.5
195.13863	10.7
245.25305	1.2
252.99829	2.2
259.20584	2.4
270.27982	1.4
277.21643	15.1
295.22672	8.1
316.05844	1.7
330.30014	6.8
330.33704	3.9
331.08240	1.4
331.18985	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0804
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
55.01889	0.1
55.05496	0.1
60.93367	0.1
66.01071	0.1
67.05476	0.1
68.97192	0.1
68.99796	0.2
69.97390	0.2
69.97812	0.2
78.01023	0.2
78.04688	0.1
81.03413	0.1
81.07027	0.1
83.08613	0.1
83.47818	0.1
91.05456	0.2
95.04978	0.1
98.20790	0.1
98.98464	2.4
100.11240	0.1
105.03374	0.2
107.04922	0.2
108.02114	0.1
109.02852	0.6
109.10116	0.1
111.00806	0.2
119.04906	0.1
121.02846	0.3
121.06485	0.1
123.04389	0.1
124.04447	0.1
124.05225	0.9
126.03216	0.2
127.03908	0.6
133.02779	0.1
134.03648	0.4
135.04390	0.2
137.02348	0.5
137.05960	0.1
139.03888	0.1
141.05495	0.1
144.05832	0.1
147.04390	0.2
149.02342	0.2
151.03902	1.9
151.04999	0.1
151.07504	0.1
153.01830	2.0
157.06419	0.1
161.05957	0.2
162.03122	0.2
163.03827	0.2
163.07565	0.1
164.04675	0.3
165.01810	0.3
167.03404	0.1
168.04338	0.1
169.06497	0.1
170.02136	0.1
171.04445	0.1
174.99226	0.1
176.98921	0.3
177.05478	0.1
179.03407	0.1
180.25987	0.1
183.08162	0.1
185.05902	0.1
187.03864	0.1
189.05469	0.8
191.03459	0.1
193.01276	0.1
194.02116	0.4
196.05356	0.1
197.05933	0.1
199.03889	0.2
200.04688	0.3
201.05411	0.1
203.03348	0.3
207.02927	0.1
213.05452	0.3
215.03401	0.2
217.04968	5.3
218.05637	0.2
219.02937	0.1
219.06395	0.1
227.03357	0.3
228.04166	1.3
229.04942	1.0
230.05736	0.9
231.02904	0.3
231.06445	0.1
241.05017	0.3
242.05719	0.6
243.02837	0.1
243.06477	0.6
244.03755	0.1
245.04453	10.4
246.04784	0.3
253.04950	0.1
253.08995	0.1
255.02849	0.3
256.03653	0.3
257.04474	1.2
258.05249	0.8
259.05972	0.4
269.04462	1.2
270.05206	0.6
271.05981	0.9
272.03189	0.1
273.03940	9.9
274.04355	0.2
281.04529	0.1
284.03152	0.1
285.03943	1.4
286.04623	0.5
287.05493	4.2
288.06281	3.0
289.06842	0.1
297.03998	0.4
298.04776	0.3
299.05466	1.1
300.02661	2.4
301.03430	15.4
302.04047	1.0
315.04987	20.4
316.05765	70.0
317.06104	2.1
330.07004	0.1
331.08109	100.0
332.08463	3.2
332.12482	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.01879	8.1
55.05511	33.8
56.96551	2.9
57.03435	11.7
57.07076	9.7
65.03936	1.5
67.05503	59.0
69.03427	7.8
69.06715	2.3
69.07071	27.1
69.93003	9.3
70.04079	75.4
71.04994	4.7
71.08645	8.4
72.08156	5.4
79.05492	34.8
79.30303	1.4
81.03414	3.9
81.07056	67.9
83.04983	17.8
83.08620	16.5
85.02914	1.6
85.06548	6.3
87.04460	2.8
88.07643	2.4
91.05476	25.8
93.07046	55.3
95.04951	10.6
95.08608	40.9
97.06522	15.6
97.10168	9.8
98.20771	2.1
98.98466	100.0
99.08096	6.7
100.11270	5.1
101.06021	6.3
105.07026	16.2
107.04949	2.8
107.08582	24.8
109.06548	3.7
109.10146	12.8
111.08096	6.3
115.07615	2.1
116.99493	5.1
117.06996	7.3
119.08583	13.2
121.06465	2.4
121.10155	15.3
122.66233	1.6
123.08134	2.1
123.11712	6.4
125.09666	7.7
127.03938	16.6
129.07022	3.5
131.08537	10.4
133.10120	18.6
135.08110	1.9
135.11682	16.5
137.09633	4.1
137.13251	1.9
139.11176	29.5
140.01015	1.9
143.08530	4.3
145.10118	4.0
147.08142	2.2
147.11694	9.5
149.13280	22.8
151.11171	3.5
153.09105	1.7
153.12840	1.8
156.17491	5.9
159.11676	13.4
161.09741	2.5
161.13235	8.9
161.38222	1.7
163.11183	2.3
163.14807	2.2
165.12769	4.7
167.14305	1.8
170.19022	2.2
173.13274	2.3
174.99239	5.6
175.11270	2.9
175.14870	3.9
176.98865	9.1
177.12729	9.5
178.49368	1.8
179.14337	2.5
187.06128	2.0
189.11215	5.0
193.12247	5.9
193.15741	1.5
195.13809	41.7
207.13831	2.8
213.14919	2.2
221.15372	2.4
225.14801	2.0
231.21204	1.5
241.19524	4.3
249.22101	2.1
255.97989	1.5
256.26450	3.2
259.20517	5.0
268.29996	6.9
277.16397	1.5
277.21640	38.0
278.21960	1.7
286.07751	2.3
295.22678	30.1
307.12097	3.1
314.07352	12.0
315.08081	4.1
316.05438	1.9
325.13232	1.8
330.06696	2.0
330.10580	27.7
330.30017	13.6
330.33701	32.8
331.11420	2.2
331.18732	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	330.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
57.07081	2.3
58.99582	2.5
67.05506	3.8
69.03430	60.3
69.07069	8.6
69.50242	7.5
70.06588	3.2
71.04982	1.4
72.08160	2.6
76.02225	6.8
79.05487	4.2
81.07054	7.6
83.04982	5.1
83.08631	2.7
84.32218	0.8
85.02934	1.0
85.06556	2.8
86.09705	2.3
86.99060	1.7
91.05481	4.2
93.07050	11.4
94.21677	0.8
95.04979	1.0
95.08607	12.8
97.06542	4.0
97.88367	0.9
98.63638	0.9
98.98468	35.2
105.00095	4.0
105.07017	6.2
107.08591	17.2
109.06487	6.4
109.10165	4.1
111.08096	5.1
111.11777	1.1
117.07045	1.2
119.08567	5.9
121.06496	3.5
121.10143	25.6
122.02731	48.8
122.08059	0.9
123.08073	5.2
123.11722	13.3
125.09635	27.1
127.03899	8.1
131.08563	8.6
133.10138	6.7
135.08058	15.7
135.11696	8.7
137.05998	1.8
137.09618	1.6
139.11241	1.7
140.07069	2.5
143.08572	1.6
145.10153	4.4
147.11699	4.4
149.09589	9.9
149.13258	3.9
151.11212	1.5
153.09094	9.1
158.10887	3.6
161.13237	1.2
163.11201	4.2
163.14825	6.6
165.12747	5.9
167.03438	1.0
167.05251	1.4
167.10666	10.5
168.06525	1.9
171.14932	1.5
173.13269	29.4
174.99225	2.1
176.98984	3.0
177.05360	0.9
191.14308	99.5
192.14583	1.8
195.02731	1.4
197.09962	1.6
199.14616	1.1
203.07030	1.3
203.57315	0.9
209.15369	100.0
210.15733	3.1
212.36328	1.0
216.02371	1.2
216.04175	6.4
224.40802	0.9
230.05617	1.2
231.06487	4.9
236.37709	1.0
237.85454	1.1
241.12567	16.9
244.03697	2.1
259.06177	5.1
259.08411	0.9
272.03180	1.6
287.05432	2.9
287.12552	1.2
321.88306	0.9
330.10983	2.3
330.16650	2.9
331.04449	18.9
331.12051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13430	1.0
53.34407	1.0
55.05512	6.6
57.03435	2.1
57.07064	3.1
67.05505	16.0
67.11670	1.2
69.07072	7.6
69.87286	7.1
71.04959	1.6
71.08620	3.4
75.49472	1.1
79.05488	9.5
81.07058	18.2
83.04966	4.5
83.08618	6.1
85.06516	1.3
87.04460	3.2
88.07635	1.9
91.05479	7.7
93.07041	15.2
94.04782	1.4
95.04985	3.0
95.08601	10.2
97.06512	3.0
97.10148	1.2
98.98466	100.0
99.08084	3.6
100.11225	1.8
100.98867	1.4
101.05995	1.5
102.63052	1.2
105.07040	6.5
107.08591	6.9
109.10148	4.8
111.08020	1.8
116.99512	4.7
117.07066	1.2
119.08569	4.7
121.10128	5.0
125.09629	2.3
127.03913	14.8
131.08578	3.6
133.10141	7.0
135.11671	4.2
137.09656	1.7
139.11168	8.3
140.01064	2.9
147.11671	2.8
149.13255	10.7
151.11127	1.7
157.10141	2.1
159.11710	3.1
161.13182	1.9
173.11754	1.4
174.99226	7.9
175.14804	1.6
175.99500	1.5
176.98926	9.1
177.12785	2.5
189.11145	1.5
193.12273	2.1
195.13829	14.9
211.13135	1.6
213.14833	1.9
252.99620	2.1
277.21686	10.4
295.22614	4.3
296.23209	1.2
316.05618	1.5
317.85248	1.2
330.29962	6.4
330.33707	5.5
331.07913	2.1
331.18771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62941	1.0
53.03940	2.1
55.01865	3.6
55.05263	1.7
55.05514	24.9
55.51570	0.9
56.96568	16.9
57.03426	3.4
57.07066	2.2
65.42606	1.0
67.05509	17.1
69.03416	4.6
69.07069	16.3
70.06600	1.5
70.64668	1.3
70.64998	2.3
71.08632	2.1
72.64177	0.9
79.05494	13.9
81.03417	3.0
81.07059	23.2
83.04976	2.6
83.08612	17.1
83.92126	0.8
85.06535	2.3
87.04431	1.8
88.07642	2.3
91.05479	5.0
93.07040	10.2
95.04963	3.6
95.08600	10.6
96.08936	1.2
97.06528	2.1
97.10172	34.8
98.20902	1.1
98.98469	100.0
100.98886	1.5
105.07039	7.3
107.04916	1.2
107.08594	13.9
108.08962	1.9
109.06529	1.9
109.10153	5.0
110.97581	2.1
111.08088	2.3
116.98746	0.9
116.99516	4.5
117.07027	3.0
119.08598	5.7
121.10149	3.1
123.08048	1.3
123.11732	2.4
125.09631	30.1
127.03925	16.6
128.98613	2.1
131.08571	3.7
133.10135	2.6
135.08044	2.2
135.11705	3.2
137.05995	3.1
137.07076	2.1
140.01094	1.8
143.08577	1.1
145.10120	2.4
146.99661	2.6
147.11676	4.0
149.09669	1.4
149.13249	2.2
151.11205	1.8
153.09065	1.4
158.61893	1.1
161.13150	1.0
163.11246	2.1
169.61394	0.9
170.30455	1.0
171.03308	1.2
171.10178	3.1
174.99225	4.5
175.99536	1.7
176.98918	8.1
179.08197	1.5
179.14346	1.3
185.04823	1.2
187.14818	1.1
189.04320	1.8
189.11224	52.0
190.11624	1.5
199.06480	1.8
200.16225	1.1
203.05948	2.9
211.06511	1.3
211.16763	1.1
213.08029	1.4
217.07542	3.8
218.21222	2.3
225.07845	1.2
229.07469	1.3
231.09033	1.4
237.08018	1.2
239.09486	1.2
241.19626	1.3
243.09039	1.8
249.08105	1.2
255.09004	4.6
259.20505	1.3
265.21777	1.0
267.09039	3.4
269.10648	4.7
273.10083	3.9
275.20129	3.6
277.21637	20.6
279.09186	1.3
285.10104	5.7
287.11694	1.2
289.11121	2.3
290.10849	2.0
295.22659	6.8
307.12173	9.3
308.12216	1.5
316.05780	2.3
325.13098	5.2
330.07214	1.1
330.13873	4.4
330.30145	1.7
330.33698	8.4
330.37354	1.5
331.08145	3.8
331.11899	1.4
331.15485	8.0
331.19159	5.6
332.16040	1.2
349.16858	19.8
350.17209	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	329.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58318	0.3
53.03946	0.5
55.01869	0.8
55.05262	0.5
55.05513	6.9
56.96558	1.0
57.03441	3.1
57.07075	3.7
57.17846	0.4
63.97832	0.3
67.05506	4.2
69.06721	0.6
69.07073	8.9
69.65666	2.6
70.04077	1.9
70.06569	0.3
71.04998	0.8
71.08628	1.8
75.04521	0.3
79.05495	3.5
79.41085	0.3
80.05823	0.5
81.07058	6.9
82.07388	0.4
83.04974	0.9
83.08625	5.7
85.10164	1.1
87.04457	0.4
91.05476	1.6
93.07053	3.7
95.04987	1.7
95.08612	4.3
97.06535	1.6
97.10182	3.5
98.98468	100.0
100.98889	0.9
101.05993	0.4
105.07041	1.6
107.04995	0.7
107.08588	2.7
109.06498	0.5
109.10155	1.3
111.08089	1.0
111.11692	1.0
115.07561	0.4
116.98608	1.0
116.99502	4.9
117.07028	1.0
119.08589	1.9
120.08870	0.4
121.06528	0.7
121.10115	2.9
123.04427	1.2
123.08103	0.5
123.11671	0.5
125.09622	1.6
128.98589	0.4
129.07025	0.5
131.08582	1.1
134.99664	0.4
135.08067	0.5
135.11707	1.9
137.13290	0.5
139.11160	0.7
140.01059	2.3
145.06525	0.4
145.10114	0.9
147.08102	0.7
147.11726	0.4
149.05995	2.0
149.13245	1.0
153.00838	0.4
153.12785	0.7
155.08627	0.3
158.99707	0.4
161.06018	0.5
163.07536	1.4
163.11133	0.4
163.14842	0.9
167.14388	0.6
174.99242	9.0
176.98940	5.4
177.00439	0.7
177.16367	0.4
185.04880	0.4
189.11256	0.4
193.62296	0.4
203.10709	0.4
216.01759	0.5
219.21056	1.2
237.22066	2.0
248.60162	0.4
250.99954	1.0
252.99745	2.0
268.26309	1.5
273.18539	1.5
275.20078	0.6
276.20386	1.0
277.21634	0.4
291.19510	3.4
293.20825	0.6
311.15948	0.5
311.25851	1.4
329.17184	2.8
329.21109	1.8
329.26877	12.5
330.17493	0.4
330.26950	0.6
330.30334	0.6
344.78159	0.4
349.16772	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80243	1.5
57.28825	1.2
60.59229	1.4
61.02931	2.0
61.28654	1.2
63.83445	1.4
69.03425	2.6
71.06057	3.5
85.02903	17.9
95.04955	3.3
97.02882	4.4
98.98467	100.0
99.04446	2.1
108.18838	1.4
109.02885	2.0
116.99482	5.2
123.04433	18.2
123.08371	1.6
127.03883	3.4
132.04453	75.7
140.73425	1.5
145.04990	8.5
163.06015	1.7
174.99265	13.6
175.82477	1.5
176.98923	6.4
180.08629	6.8
215.93063	1.7
252.99797	2.0
274.99094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00867	1.2
59.06680	1.3
61.02914	3.3
69.03413	2.5
71.11957	3.9
76.34164	1.2
81.03399	1.8
85.02422	2.3
85.02908	24.5
95.04961	5.1
97.02881	8.0
97.41563	1.4
98.97861	2.7
98.98479	44.1
109.02864	1.3
123.04438	27.6
124.68476	1.3
127.03910	4.1
132.04463	100.0
133.04771	2.5
145.04956	11.6
149.04256	1.4
163.06007	4.1
166.74725	1.3
174.99222	5.4
180.08678	5.6
198.09732	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	329.2323
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.65810	0.5
54.78435	0.5
55.05510	2.3
56.96576	0.7
57.03419	0.6
67.05499	1.5
69.94382	3.3
77.01604	0.6
79.05486	1.3
81.03426	0.6
81.07070	1.7
83.04975	0.9
83.08641	1.5
85.02908	0.5
88.20244	0.5
91.05485	1.1
93.07063	1.5
95.04966	1.8
95.08601	0.9
97.10173	2.3
98.98472	100.0
107.08613	1.4
109.10133	1.0
111.08053	0.7
115.65381	0.6
116.99525	3.4
119.08589	0.7
121.10140	0.8
125.09629	1.0
140.01083	1.5
147.11702	0.7
163.11229	1.9
174.99245	10.9
176.98923	4.3
189.11266	1.2
193.12215	1.1
197.82144	0.5
222.62138	0.6
250.99995	1.1
252.99767	1.2
275.20346	1.2
293.21136	8.3
311.12881	1.2
311.22308	1.9
329.06454	0.8
329.17532	1.0
329.21246	0.8
330.07391	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
70.73660	1.4
70.74039	1.3
98.98469	17.0
108.05747	1.6
122.97548	0.7
135.04408	3.1
141.52390	0.7
174.99222	1.7
176.98929	1.3
177.89186	0.7
193.69263	0.6
215.07036	2.3
227.07092	0.7
243.06561	10.0
270.05530	0.7
271.06046	17.8
285.07623	6.3
286.08267	3.6
299.05521	17.9
313.07053	16.2
314.07852	74.2
315.07898	1.3
329.10208	100.0
330.10519	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.4
55.05510	18.9
57.03437	2.7
57.07066	5.3
61.09575	1.9
66.17771	1.6
67.05505	49.5
69.03429	3.9
69.07059	14.4
69.54349	13.4
71.04990	6.4
79.05486	17.7
81.03411	7.0
81.07054	39.9
83.04992	8.7
83.08617	9.4
85.06520	8.9
85.87701	1.9
91.05482	29.7
93.07047	24.5
95.04954	11.5
95.08601	24.8
97.06518	4.1
97.10163	2.7
98.98466	100.0
99.04430	2.9
99.08091	3.1
105.07026	32.8
107.04934	4.1
107.08598	33.9
107.15733	1.8
109.06505	8.3
109.10160	59.2
111.04420	2.6
111.08065	4.7
113.09620	2.3
116.99510	3.3
117.07051	4.2
119.08599	11.6
121.06497	3.7
121.10179	8.5
123.04540	1.9
123.08064	8.1
123.11699	9.4
125.09633	3.3
127.07555	3.4
131.08568	8.5
133.10129	65.1
134.10442	2.8
135.08054	2.1
135.11696	6.1
137.09599	14.4
145.10112	7.3
147.11687	4.7
149.09634	6.3
149.13284	2.8
151.11171	49.0
153.12860	2.0
159.11717	2.9
161.09618	3.2
163.11183	4.7
163.14745	2.0
163.71461	1.9
165.09090	5.7
169.12247	19.4
173.13266	2.9
174.99216	15.2
176.98911	5.6
177.12669	3.2
179.10712	3.7
209.11737	2.8
215.12764	7.7
229.19661	2.6
239.17981	2.4
246.40808	1.8
247.20613	5.1
257.19000	6.1
265.21729	2.6
275.20078	45.4
276.20294	2.2
293.21088	35.9
301.70914	1.9
314.07834	6.1
328.35617	3.9
329.10123	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01860	0.7
55.05508	8.7
56.96543	1.0
59.05004	0.6
59.62205	0.4
64.71549	0.5
67.05499	3.2
69.03419	1.5
69.07069	3.0
70.06590	2.8
70.31589	2.0
79.05480	3.8
81.03402	0.5
81.07064	3.6
83.04986	0.7
83.08614	5.8
86.97881	0.5
91.05480	2.7
93.07030	2.1
95.08620	1.6
97.10170	12.1
98.21378	0.7
98.98465	100.0
100.98926	0.5
105.07029	2.4
107.04951	0.8
107.08590	13.7
109.06528	0.8
109.10153	1.0
111.08103	0.7
116.98727	0.9
116.99490	3.9
117.07006	1.1
119.08613	1.5
121.10167	1.0
125.09627	10.8
130.93304	0.6
131.08560	0.6
133.10098	1.1
134.99635	0.5
135.08046	0.9
135.11716	0.6
137.20549	0.5
140.01074	1.6
145.10152	1.9
147.11665	0.9
149.09641	0.8
150.24509	0.6
151.19012	0.7
159.11671	0.6
171.10167	1.1
172.94400	0.6
174.99220	10.8
175.99551	1.0
176.98924	4.1
180.38593	0.5
181.12175	0.9
189.11218	17.0
190.95410	2.7
208.96457	1.9
232.96498	2.0
242.35825	0.5
250.97531	1.6
251.00034	1.0
252.56256	0.5
252.99840	1.7
257.18951	1.2
275.20068	13.6
293.21161	1.8
329.14020	0.6
329.17319	3.2
329.20862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28637	2.7
54.46290	2.7
55.01859	7.9
55.05497	11.9
58.62457	2.4
67.05500	29.5
69.07067	22.2
69.87072	14.7
71.05021	2.9
79.05498	24.0
81.03409	4.5
81.07056	63.6
83.04995	4.9
83.08617	9.6
91.05483	19.4
93.07055	16.2
95.04968	8.8
95.08598	18.7
97.06511	6.5
98.97858	4.7
98.98467	72.5
105.07034	19.7
107.04946	7.5
107.08581	12.3
109.06499	21.2
109.10107	8.5
111.08044	4.2
116.99544	3.4
117.06983	5.5
119.08588	14.2
121.06499	4.7
121.10129	8.8
123.08047	6.8
123.11729	3.2
125.09602	3.4
129.07039	3.4
131.08607	12.7
133.10156	15.9
135.08093	3.5
135.11664	6.1
137.09587	6.9
145.10095	10.7
147.11691	14.3
147.31168	2.8
149.09586	6.5
149.13271	6.9
151.11220	3.7
157.10115	3.2
159.11699	10.0
161.13297	3.7
163.11192	6.3
163.14828	2.8
165.12729	5.1
173.09682	3.1
174.99269	9.1
175.11214	4.6
176.98917	3.2
193.12257	3.0
229.19403	5.1
247.20526	3.8
257.19031	9.0
275.20071	100.0
276.20383	4.5
293.21118	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18019	0.4
53.03945	0.5
53.40220	0.5
55.01852	0.7
55.05512	6.8
56.96552	0.8
57.03439	0.6
59.05014	0.7
63.21698	0.5
67.05507	9.4
69.03433	1.1
69.07074	3.8
69.93314	2.6
70.06593	1.1
71.05003	0.9
79.05492	9.1
81.03416	1.0
81.07060	7.3
82.36761	0.5
83.04973	1.3
83.08614	4.3
91.05489	6.6
93.07053	7.6
95.04955	2.7
95.08605	5.6
97.10178	6.5
98.98470	100.0
99.98898	0.5
100.98893	1.0
105.07043	4.0
107.08594	7.1
109.06512	0.9
109.10173	4.7
111.08068	1.1
116.98734	0.8
116.99497	4.3
117.07010	1.3
119.08599	3.6
121.10143	5.5
123.11707	0.5
125.09647	5.8
131.08578	1.8
133.10165	3.3
135.11749	1.0
137.09642	1.8
140.01108	2.2
145.10147	1.6
147.11737	1.9
149.09631	0.8
153.09065	0.7
155.10686	0.8
159.11713	1.4
161.13290	0.9
172.94388	0.8
173.11769	3.6
173.13214	0.9
174.99234	11.7
175.00656	0.8
176.98973	4.4
189.11220	7.8
190.95351	2.4
193.00122	0.5
208.96475	1.2
211.13399	0.6
214.95523	0.6
216.01933	0.5
220.39944	0.5
232.96507	2.0
234.65723	0.6
250.97620	1.7
251.00027	0.9
252.99728	1.9
257.19153	0.6
275.20090	7.6
275.22806	0.8
293.21259	1.3
328.15500	0.7
329.17291	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42196	0.5
53.03945	0.4
55.05508	1.3
56.05027	0.7
56.96571	0.7
67.05492	1.3
68.05031	0.7
69.07069	1.0
71.04985	0.5
71.60883	0.8
74.02443	0.7
74.06083	0.8
79.05506	1.5
80.05791	0.4
81.03418	0.5
81.07056	3.3
82.06577	1.4
83.08645	0.6
91.05481	1.1
92.07148	0.9
93.07037	1.4
94.06600	1.1
95.05022	0.5
95.08601	0.9
97.08916	0.8
98.09694	0.9
98.98470	100.0
100.98895	0.5
105.07075	0.7
106.06543	0.4
108.08108	3.1
109.02867	0.5
109.10185	0.6
110.09695	2.2
116.98731	0.9
116.99499	4.0
118.06537	0.5
121.06483	0.6
122.09685	1.5
124.11232	0.6
130.06528	15.2
132.04453	7.7
132.08104	1.2
134.06006	2.2
134.99646	0.4
135.09212	1.3
137.06004	1.7
138.06317	0.7
140.01070	2.1
146.06015	19.7
147.06691	0.4
147.39754	0.4
148.07578	2.4
153.08549	0.4
154.08636	1.6
156.10243	3.0
157.07655	1.7
158.06023	15.3
160.07587	3.1
168.10239	1.2
172.07603	1.0
174.05591	0.5
174.99231	10.4
175.08690	2.1
175.99557	1.0
176.98923	4.5
184.07394	0.4
185.07115	24.2
186.05595	0.8
187.08698	3.7
190.95384	1.2
202.05003	0.8
208.96495	1.1
212.08220	7.0
213.06627	1.9
216.01968	0.9
231.07652	8.9
232.96559	1.4
246.66580	0.5
250.97585	1.1
251.00038	1.0
252.00508	0.6
252.99763	2.7
255.14915	4.3
255.98228	0.6
256.15189	0.6
258.08719	0.6
258.66153	0.5
301.15500	5.5
310.15610	0.9
310.27374	0.5
328.16559	65.6
329.10428	0.7
329.17001	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	328.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
56.58605	0.4
56.96576	1.0
59.58799	0.4
67.05507	1.4
69.03451	0.5
69.07060	1.5
71.60193	0.6
73.02927	0.5
76.39217	0.5
79.05492	1.4
80.05044	0.7
81.03432	0.9
81.07071	2.4
83.08608	0.5
84.43535	0.4
91.05482	0.9
92.07121	0.7
93.04493	0.5
93.07040	0.9
95.04969	0.7
95.08604	1.0
97.10193	0.6
98.98473	100.0
100.98875	0.7
105.07045	0.9
106.06552	0.5
107.08594	0.6
108.08088	0.6
109.10143	0.6
110.09667	1.0
113.27798	0.5
116.99509	5.5
119.08600	0.7
119.52626	0.4
120.18575	0.4
122.09682	0.7
125.09598	0.9
130.06543	8.1
132.04440	2.2
132.08130	0.5
133.10078	0.6
134.06012	0.6
137.06035	1.1
140.01062	2.1
144.08064	0.8
145.10214	0.6
146.06012	9.1
147.06680	0.7
148.07573	2.4
154.08676	0.6
156.06833	2.0
156.10226	0.6
157.07594	3.2
158.06029	5.7
160.07552	0.9
169.06372	0.5
169.07617	2.1
174.12843	0.6
174.99228	11.3
175.99538	0.8
176.98927	4.5
177.00453	0.6
182.08377	0.8
183.09192	2.1
184.11221	0.8
185.07118	11.9
187.08719	1.7
190.95419	1.1
194.07083	0.8
196.08694	0.8
197.07281	0.7
197.10887	0.8
198.12799	5.3
202.07416	2.7
202.12300	1.6
208.96458	1.2
211.12286	2.9
212.08299	3.4
212.10052	0.6
212.14395	1.3
213.06569	0.9
214.12337	0.5
216.01781	0.6
223.08643	1.1
223.10936	0.5
229.15393	0.5
231.07654	3.4
232.96495	1.7
237.13936	2.3
238.13986	0.5
239.15483	1.3
240.07750	1.0
245.04652	0.6
250.97592	1.1
250.99890	0.9
252.99730	2.1
255.14972	1.2
257.12851	2.5
258.08908	1.1
264.14972	2.0
266.16461	3.0
282.16019	0.6
283.14432	2.0
292.19876	1.1
301.15536	1.9
310.15509	36.4
311.15707	1.5
319.18484	1.0
328.16571	36.0
329.10507	0.5
329.16919	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87395	0.5
58.99592	2.5
61.02779	0.5
63.61247	0.4
67.05496	1.5
69.03432	100.0
70.03783	1.1
70.58990	1.1
70.59377	1.1
71.65143	0.5
72.08152	0.5
76.02232	12.8
79.05521	0.5
81.07120	0.6
83.04997	1.5
85.01085	0.5
91.05462	0.5
98.98473	31.1
105.07029	0.8
109.02885	2.6
109.10172	5.0
110.09689	0.7
113.00600	6.0
116.99566	0.9
119.08578	0.8
121.06535	0.5
121.10178	0.6
122.02731	5.6
123.08089	1.7
124.07614	0.6
126.09205	0.5
127.03886	0.5
137.05965	1.3
137.09622	1.0
138.05486	0.5
138.09198	0.6
139.11186	21.7
144.04817	1.5
145.26952	0.5
147.11678	1.0
149.09636	0.6
151.07536	9.6
152.14420	0.8
152.89778	0.5
166.04968	1.1
166.08675	0.7
167.03380	0.8
172.04378	0.5
174.99231	3.5
176.99026	0.7
183.04756	11.8
189.12785	1.0
190.05339	1.4
207.13818	65.3
208.14174	1.7
239.11011	10.9
252.99736	0.5
282.15176	1.5
311.13132	0.7
323.76010	0.6
328.15747	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	328.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90924	0.4
55.05501	1.7
56.05019	0.6
67.05502	0.9
68.05032	0.9
69.07069	1.3
71.04999	0.5
71.60845	0.4
79.05482	1.7
80.05006	0.7
81.07050	3.3
82.06571	1.9
83.08624	0.7
91.05481	0.8
93.07037	0.9
94.06570	0.8
95.08617	1.5
96.08118	0.6
97.06521	0.5
97.08906	1.6
98.09695	1.3
98.98468	100.0
100.98920	0.5
105.07030	0.8
108.08123	3.9
109.10109	0.5
110.09676	2.7
116.99500	4.6
120.08096	0.6
121.02891	0.5
122.09681	2.1
124.11226	0.9
130.06528	13.3
130.09236	0.5
132.04466	3.9
132.08096	1.2
134.06000	1.6
135.09193	1.5
137.02248	0.5
137.06015	1.0
140.01125	2.7
142.06366	0.6
144.08070	0.6
146.06012	10.4
147.06837	0.8
148.07584	3.9
154.08636	2.2
156.10213	4.2
157.07616	1.0
158.04791	0.8
158.06023	12.6
160.07594	2.0
168.10167	1.3
169.07588	0.7
172.07610	1.0
174.05341	0.5
174.12830	1.1
174.99226	12.0
175.08687	0.9
175.99551	0.5
176.98907	4.7
181.09760	0.5
185.07106	8.1
186.05437	1.2
187.08643	1.6
190.95390	1.0
198.12805	1.4
200.10672	0.6
202.12280	1.3
204.06479	0.7
208.96561	1.2
212.08188	1.7
212.10394	0.5
212.14392	0.6
213.06757	0.9
231.07541	2.8
232.96492	1.1
233.09256	0.7
250.97629	0.9
251.00066	1.5
252.99657	2.2
255.14992	4.3
266.16513	0.6
266.89804	0.5
274.70856	0.5
282.16486	0.5
283.14032	0.5
286.10495	0.6
301.15457	10.7
310.15439	2.9
311.05551	1.0
328.16553	50.7
329.06384	2.1
329.17120	2.4
349.36938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33662	1.5
55.01851	1.6
55.05524	12.0
57.07069	8.2
59.04988	2.2
67.05511	19.2
69.07070	39.0
70.28573	7.1
70.98232	1.4
71.04991	4.0
71.08634	5.2
77.01597	1.5
79.05497	9.2
81.07063	69.5
82.07376	1.5
83.08618	12.4
85.06544	11.9
85.10197	1.7
91.05499	5.4
93.07044	21.5
95.04984	2.8
95.08614	47.6
97.06532	5.6
97.10171	3.8
98.98472	100.0
99.08091	5.5
100.11243	2.3
105.07056	10.0
107.08599	22.6
107.69141	1.3
109.06530	2.3
109.10162	25.0
111.08085	16.3
111.11735	6.4
116.99501	2.1
119.08605	6.3
121.10142	12.2
123.11716	22.4
125.09628	2.5
125.13288	2.5
133.10159	2.4
135.11714	11.6
137.05960	4.7
137.13274	19.1
139.11209	2.6
140.01094	1.9
147.11685	9.1
149.13261	11.1
151.14894	2.5
153.12704	7.3
155.14323	5.7
161.13304	3.3
163.14853	5.3
165.12816	7.1
171.13872	3.1
174.99249	14.5
175.14879	1.9
177.16455	2.6
183.13776	2.4
201.14822	1.8
203.01440	1.5
203.17909	2.1
217.19478	2.6
250.99969	3.4
273.25870	2.4
279.26831	3.3
291.26971	8.8
299.12900	1.6
309.27823	4.8
327.05090	1.7
327.12448	2.0
327.28513	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24850	0.8
53.03941	2.0
55.01862	1.3
55.05515	6.3
57.03428	1.9
57.07064	3.7
59.04995	1.0
65.03920	1.4
67.05502	14.2
69.03424	2.4
69.07072	9.3
70.23694	3.3
71.04969	2.0
79.05493	9.7
81.03388	1.8
81.07051	14.3
83.04977	1.4
83.08614	2.7
85.06511	2.8
91.05483	17.0
93.07046	34.1
95.04968	38.5
95.08606	28.6
97.06532	9.0
97.10136	1.2
98.98466	100.0
103.05446	1.3
105.07033	29.0
107.04975	1.6
107.08600	18.9
109.06509	6.1
109.10161	15.0
115.05483	1.7
116.99506	3.4
117.07011	6.7
119.08578	28.2
121.06497	7.6
121.10154	14.0
123.08080	5.9
123.11720	5.7
125.09609	1.2
128.06215	2.1
129.06982	3.5
130.07796	2.3
131.08563	13.4
133.06438	2.1
133.10126	25.4
135.08026	4.3
135.11668	6.3
137.09616	3.3
140.01004	2.1
141.06990	1.5
142.07785	6.0
143.08533	8.5
144.09308	3.0
145.10129	19.8
147.11707	7.0
149.09610	3.1
149.13271	2.3
151.11166	1.9
153.07031	1.3
154.07771	1.5
154.38559	0.9
155.08575	2.4
156.09343	3.8
157.10126	16.6
158.10982	1.6
159.08070	2.3
159.11697	19.1
161.09604	9.5
161.13268	2.6
163.11214	1.0
167.08551	1.7
168.09343	1.4
169.10173	6.2
170.10902	2.2
171.11671	7.5
172.12517	1.3
173.09656	2.4
173.13255	7.8
174.14081	0.9
174.99225	16.2
175.11198	1.2
175.14821	9.1
179.08533	2.0
181.10103	1.6
182.10846	1.5
183.11681	4.2
185.13217	3.6
187.11136	4.6
187.14801	8.2
189.16414	1.7
193.10094	1.5
195.11700	2.5
197.13287	3.9
199.14845	5.4
201.12677	1.2
201.16409	2.8
205.15889	2.1
207.11673	1.8
209.13277	3.0
211.11189	1.0
211.14813	4.3
213.16348	2.4
215.14331	2.1
217.15880	3.7
221.13342	1.8
223.14723	1.3
225.16330	3.0
227.14259	2.0
231.17496	1.2
235.14818	1.7
237.33141	1.1
239.17937	1.4
249.16498	1.4
251.00069	3.9
253.15810	1.4
265.19400	1.5
291.21390	1.7
309.22025	4.8
327.07828	2.9
327.23190	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29517	0.5
51.02381	1.6
53.03951	6.0
55.01866	1.3
55.05512	2.5
57.07075	1.5
59.93401	0.6
65.03938	0.9
67.05508	5.1
69.03423	0.8
69.07072	3.0
71.60503	1.1
72.08161	2.4
77.03949	1.4
79.05504	3.2
81.03412	1.4
81.07061	5.8
83.04974	0.6
83.08629	1.1
85.06539	0.8
91.05486	6.8
93.07051	13.4
95.04973	23.4
95.08614	8.9
97.06538	4.0
97.10152	0.7
98.98468	100.0
105.04504	1.7
105.07029	10.0
107.04887	0.8
107.08605	7.6
109.06520	2.1
109.10151	4.5
110.87487	0.6
115.05495	0.7
116.99509	3.9
117.07004	2.1
119.07728	0.4
119.08578	10.9
121.06503	3.0
121.10146	5.6
123.08068	2.4
123.11687	1.8
127.21115	0.6
128.06267	1.4
129.07010	1.4
130.07826	0.9
131.08577	4.5
133.10139	7.5
135.08026	1.2
135.11740	1.4
137.09633	1.3
140.01074	1.8
141.06946	0.7
142.07748	1.6
143.08554	3.8
144.09340	1.5
145.06456	0.7
145.10155	6.6
147.08130	1.4
147.11710	3.0
149.09605	1.1
152.06209	17.3
152.07401	1.2
153.07016	11.6
154.07446	1.0
155.08574	1.0
156.09340	1.4
157.10123	5.8
158.10989	1.1
159.08055	0.8
159.11687	6.9
161.09619	2.6
161.13295	1.0
168.05740	4.7
169.06490	1.8
169.10143	2.4
169.60942	0.6
171.08028	2.6
171.11690	3.2
173.13263	2.4
174.99228	15.3
175.01610	1.6
175.14818	2.7
179.06126	0.6
183.11714	1.2
185.13297	1.9
187.11234	1.3
187.14835	2.5
189.16528	0.7
195.11717	1.1
197.13286	1.8
199.14810	1.4
207.11630	0.7
209.13286	1.6
211.14890	1.5
215.02675	2.8
217.15926	1.6
225.16470	0.8
227.08623	1.1
228.09370	5.1
229.10062	2.2
229.15880	0.8
233.03653	17.7
234.03960	1.2
235.14870	1.2
237.43544	0.7
239.18166	0.6
251.00012	2.6
251.04669	8.8
272.55225	0.7
309.22223	1.7
310.31134	1.4
327.07816	70.9
327.23123	2.8
327.33679	2.0
328.08179	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	327.2165
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.39637	1.2
55.01870	2.6
55.05515	9.5
57.07057	1.3
65.78708	1.3
67.05498	7.1
69.03415	2.5
69.07063	5.7
70.76292	3.3
71.04998	1.5
71.96861	1.3
75.44441	1.1
79.05496	5.2
81.03397	2.0
81.07054	13.9
83.04967	3.1
83.08604	5.4
91.05470	2.8
93.07040	5.0
95.04951	3.3
95.08584	4.0
96.48199	1.2
97.06535	3.9
97.10164	9.7
98.98466	100.0
105.07003	2.2
107.08592	4.4
108.62492	1.1
109.10152	2.6
111.04407	2.0
111.08100	2.7
115.07552	2.7
116.99499	2.1
119.08578	3.5
121.06593	1.2
121.10090	2.0
123.08070	6.0
125.09626	9.7
131.08493	1.6
133.10141	1.9
135.08005	1.2
135.11674	1.5
135.84242	1.1
135.89604	1.6
137.05980	2.6
140.01044	1.2
153.09106	1.5
163.11188	3.1
165.09097	1.8
166.32310	1.1
174.99213	15.3
189.11208	12.8
193.12209	1.9
227.12766	1.5
250.99915	4.4
273.18478	3.9
291.19522	16.2
292.19913	1.3
309.20630	11.9
327.12018	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2168
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.46885	0.3
55.05272	0.3
55.05515	3.9
56.96568	0.5
57.03440	0.6
57.07066	1.0
65.66039	0.3
67.05509	3.1
69.03423	1.1
69.07066	2.3
71.08630	0.7
73.41980	0.3
74.09713	0.3
77.01600	0.3
79.05511	2.0
81.03417	0.8
81.07063	5.6
83.04979	0.8
83.08626	2.8
85.02885	0.5
85.06522	0.5
91.05487	1.4
93.07039	3.8
95.04960	2.4
95.08603	4.4
97.06537	0.6
97.10175	4.0
98.21507	0.6
98.98469	100.0
99.08106	0.7
105.07037	2.0
107.04970	0.4
107.08599	2.2
109.02916	0.6
109.06557	0.5
109.08473	0.3
109.10142	1.8
111.04453	0.4
111.08053	0.4
116.99512	4.9
117.07053	0.5
119.08591	1.4
121.06516	0.5
121.10117	1.6
123.08072	6.5
123.11706	1.8
124.08338	0.3
124.12055	0.3
125.09634	2.9
129.07040	0.4
131.04916	0.4
131.08566	0.7
133.06485	0.5
133.10182	0.9
135.08043	0.8
135.11670	0.7
135.81503	0.3
137.05995	4.7
137.09616	0.6
140.01096	2.1
145.10135	0.8
147.04396	0.3
147.08076	0.7
147.11678	0.5
149.06058	0.4
149.13220	0.4
151.07616	0.3
151.11205	0.4
153.07001	0.3
157.10149	0.5
161.09615	0.5
163.07576	0.6
163.11192	0.4
165.07060	0.3
165.09180	0.8
169.12256	1.0
171.11719	0.3
173.09523	0.4
173.11699	0.4
174.99239	16.9
175.07602	0.3
175.99689	0.4
187.13330	1.2
189.07005	0.4
189.11218	2.9
190.95468	0.4
203.07063	0.4
206.07306	0.5
207.08012	0.4
211.13271	0.6
215.66083	0.3
216.01895	0.3
228.04292	0.3
228.14465	0.4
232.96364	0.4
235.07607	0.7
249.09079	0.7
251.00031	3.0
255.17587	0.6
263.20227	0.6
265.08725	0.4
267.10107	0.5
273.18552	3.4
277.08621	1.3
283.09680	0.6
291.19583	4.8
295.09671	0.9
297.11374	0.4
309.11172	0.4
309.20700	2.2
309.28070	0.3
327.05063	2.2
327.08337	0.6
327.12088	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	327.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01879	0.9
55.05506	1.4
57.03437	0.6
60.14049	0.3
65.03931	0.5
67.05502	2.8
69.07076	0.6
70.06590	1.1
71.04992	0.5
71.59595	0.7
72.08142	0.3
77.01608	0.6
79.05498	2.1
81.03391	0.6
81.07054	3.3
83.08618	0.4
91.05480	4.8
92.05770	0.4
93.07024	2.0
94.04186	1.7
95.04974	1.2
95.08619	1.6
96.08914	0.5
98.09004	0.4
98.98466	100.0
103.05463	9.8
103.06133	0.7
105.07034	4.8
107.04932	2.7
107.08617	0.8
109.02902	0.8
109.06542	2.0
109.10172	3.0
111.04456	0.6
114.10307	0.5
115.05463	1.4
116.99501	4.5
117.07013	2.2
119.04940	1.0
119.08600	1.5
120.05709	0.4
121.06499	8.2
121.10131	0.7
122.03656	4.1
123.04443	0.5
123.08083	0.9
123.11752	0.6
124.07613	1.8
126.65977	0.4
127.03943	2.8
127.04749	0.5
128.06227	0.6
129.07036	0.7
131.04929	13.7
131.08577	0.7
133.06491	22.4
135.08047	6.5
136.05247	0.6
137.05978	72.1
138.06317	0.8
139.03937	0.6
140.01091	1.5
143.04974	0.9
143.08534	1.0
144.05635	0.5
145.06471	5.6
147.04437	1.2
147.08064	1.8
147.11641	0.4
149.06007	1.7
149.09648	1.7
151.03906	0.9
151.07553	9.0
153.01836	1.0
153.68474	0.4
157.06520	1.9
160.05281	0.5
161.05971	2.7
162.06807	1.6
163.07544	35.2
164.07904	0.8
165.05641	0.7
165.07013	1.5
165.09164	0.6
167.08472	0.5
171.08080	1.5
173.11771	3.1
174.06770	0.4
174.99234	14.8
175.07545	3.0
177.09113	29.9
178.07841	0.6
178.09387	1.0
179.08591	1.0
182.07277	0.7
187.07623	0.8
188.04703	3.3
188.08205	0.6
189.07466	0.4
189.09125	1.8
191.06955	0.9
191.10646	0.6
193.06479	1.4
194.07265	0.7
195.08098	0.7
203.06995	3.5
203.08961	0.7
203.10619	3.4
205.06459	0.7
205.08487	0.6
206.07216	0.8
207.08067	1.0
209.06068	0.5
210.06796	1.8
217.06712	0.4
219.08168	0.5
220.08791	1.1
221.05937	2.8
221.09581	0.7
223.07555	0.7
224.08298	0.8
225.09099	3.3
234.06837	1.2
235.07474	0.9
235.11263	1.3
237.05711	0.5
237.09100	0.9
238.06218	0.8
238.09772	0.5
239.10687	1.0
240.07784	0.5
245.09586	0.6
249.09120	1.6
250.06146	0.5
250.99959	2.6
251.07005	1.8
252.07990	0.8
253.08588	4.5
254.09314	0.5
255.06621	0.5
263.10645	3.0
264.35129	0.4
265.08649	1.6
266.09354	0.7
267.10199	2.6
269.08121	0.4
270.08835	0.4
277.08606	3.0
278.09189	0.5
280.07404	0.8
281.08185	0.5
281.11655	1.6
285.11304	3.6
294.08929	1.2
295.09647	2.9
295.13330	8.6
297.11163	0.5
299.12756	1.1
309.11246	5.0
310.11996	0.4
312.09708	0.4
327.12259	32.5
327.15933	10.5
328.12582	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	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03936	0.8
55.01877	0.6
58.99574	0.6
67.05509	1.0
69.03430	41.4
69.99505	2.9
76.02235	4.9
78.94120	0.6
79.05495	2.5
81.03433	0.7
81.07069	1.7
83.04989	1.2
85.01984	0.6
86.01637	0.7
89.05947	0.8
91.05505	3.4
94.04173	1.5
95.04978	0.9
98.98469	100.0
101.71799	0.8
103.05473	14.9
105.07023	7.1
107.04958	2.9
107.08575	1.2
108.08120	1.5
109.06536	2.8
109.08481	0.8
109.10164	4.0
113.00581	2.5
113.16954	0.6
115.05425	1.3
116.99530	3.9
117.07016	2.0
119.04957	0.7
121.06526	5.0
121.10132	0.8
122.02737	1.8
122.03631	5.4
123.08080	1.8
131.04930	16.9
132.05470	0.8
133.06496	29.9
134.06874	0.8
135.08060	9.1
137.05981	89.1
138.06331	1.5
139.11182	7.2
145.06508	6.4
147.04419	1.1
147.08047	1.8
149.05986	2.2
150.12750	1.2
151.07533	13.3
151.13231	0.7
157.06509	2.5
160.05188	0.8
162.06812	1.0
163.07547	48.4
164.07936	1.5
165.09081	0.7
170.61502	0.7
171.08020	1.5
173.05923	0.7
174.99232	16.4
175.07539	4.4
177.08990	1.2
183.04747	3.6
187.07521	1.8
188.08176	1.1
189.09090	2.6
190.05360	1.5
203.06956	0.7
203.10570	1.7
207.13805	24.0
217.10208	0.9
220.09018	1.0
235.11212	2.3
239.11043	4.2
245.09634	1.6
248.08411	1.1
249.09085	0.9
251.00061	3.0
263.10748	4.2
265.08746	0.9
283.17380	7.8
295.13303	12.6
312.13864	0.7
327.12268	2.9
327.15891	12.5
327.19937	7.7
328.15912	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	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03947	0.5
55.01863	1.7
55.05507	1.6
57.03438	0.5
65.03935	0.4
67.05493	2.7
69.03423	1.2
69.47192	0.5
70.06588	0.8
71.01329	0.7
71.59998	0.6
71.60374	0.6
72.08159	0.5
77.01630	0.5
77.03915	0.5
77.99216	0.4
79.05496	3.1
81.03418	2.4
81.07056	3.2
81.62352	0.4
83.04974	0.6
83.08611	0.5
84.08160	0.4
85.02898	0.7
86.09734	0.4
91.05481	4.6
93.07034	1.9
94.04179	2.2
95.04972	4.1
95.08613	1.9
98.98468	100.0
103.05468	15.2
105.07033	9.3
107.04961	3.4
107.08582	0.9
109.02879	1.1
109.06524	3.3
109.10162	1.2
115.05479	1.7
116.98766	0.5
116.99503	3.2
117.07041	2.0
119.04921	1.0
119.08615	1.3
121.06510	5.9
121.10094	0.6
122.03648	6.2
123.04454	3.5
123.08061	2.2
123.11667	0.5
128.06248	0.6
129.07021	0.9
131.04932	17.8
131.08568	0.7
133.06494	32.5
133.10162	0.7
134.06821	0.7
135.08054	9.8
135.11639	0.8
137.05980	95.4
138.06319	2.0
140.01086	1.0
143.04913	1.3
143.08531	0.6
145.06485	7.4
145.10132	0.9
147.04430	0.8
147.08051	3.2
147.11693	1.0
149.05984	1.9
151.07547	9.9
157.06453	3.3
160.05164	0.6
161.05937	0.7
162.06833	0.5
163.07550	48.0
164.07913	1.4
165.05528	0.8
165.09122	0.8
166.52243	0.4
171.08052	1.8
174.99234	14.9
175.07538	3.4
177.09090	1.8
187.07550	1.5
188.08263	0.5
189.09109	2.1
189.12785	0.8
191.10800	0.4
202.07834	0.7
203.10620	1.1
207.13789	1.5
217.10202	0.9
217.12213	1.0
220.08786	0.5
235.11148	1.5
235.13319	5.1
242.92200	0.4
245.09685	0.8
247.07562	0.6
248.08243	0.7
251.00056	3.2
263.10596	4.1
277.08722	0.8
284.20541	0.8
291.03760	0.6
295.13297	13.0
296.13696	0.5
309.17035	4.6
327.09894	2.8
327.15854	12.4
328.16370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01865	3.2
55.05511	3.7
57.03436	4.0
59.04990	0.7
61.02923	8.9
67.05500	0.9
68.39227	0.7
69.03434	14.4
69.07068	1.7
69.50058	5.2
70.06580	2.0
71.04981	3.2
73.02910	3.0
79.05521	1.2
81.03428	7.1
81.07072	1.0
83.01340	0.9
83.08621	12.5
84.04503	2.3
85.02908	90.6
86.03232	1.1
86.09707	1.3
87.04464	2.0
91.03966	5.5
91.05468	1.4
93.07025	0.8
95.08611	1.0
97.02895	22.6
97.06556	1.5
98.98469	100.0
99.04455	4.5
101.09651	8.6
103.03921	0.8
107.05029	0.8
107.08645	1.0
109.02879	5.9
114.05486	1.0
116.07079	1.2
116.99522	3.9
119.10677	1.2
127.03922	24.7
129.05466	0.8
130.05013	2.0
136.07582	1.8
137.06029	0.7
138.09178	1.2
140.01106	1.1
140.07076	1.0
145.04968	44.0
146.05330	1.0
147.10170	2.0
153.14662	1.1
163.06023	11.4
164.07173	1.6
174.99232	16.0
180.08598	0.7
182.08159	1.9
185.07088	2.9
195.13861	1.0
195.19124	0.7
251.00053	2.9
268.58731	0.7
281.18744	1.0
282.19019	1.1
326.19366	6.7
327.04996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02372	0.3
53.03939	0.3
55.01866	0.9
62.31107	0.3
62.41532	0.3
65.03931	0.4
67.05494	0.6
67.37868	0.2
69.03425	0.9
69.74213	1.9
70.06562	0.4
71.04990	0.3
79.05494	2.3
81.03411	0.5
81.07068	1.8
83.04965	0.3
91.05480	4.0
93.07063	1.1
94.04201	2.3
95.04971	1.1
95.08590	0.7
98.98466	45.7
103.05473	14.3
105.07033	6.7
107.04946	3.2
107.08601	0.5
108.05766	0.3
109.06506	2.4
115.05449	1.4
115.33163	0.4
116.99519	2.1
117.07003	2.2
117.34084	0.3
119.04933	1.1
119.08566	0.5
120.05834	0.5
121.06508	6.1
122.03651	5.9
123.04458	0.8
123.08068	1.1
128.06210	0.6
129.06984	0.5
131.04935	18.1
132.05702	0.3
132.66170	0.3
133.06493	31.9
134.06836	0.9
135.08058	10.7
136.05240	0.8
136.08423	0.3
137.05977	100.0
138.06329	2.4
143.04948	1.2
143.08618	0.4
145.06477	6.7
147.04402	0.4
147.08026	2.4
149.02423	0.6
149.05992	2.0
151.07552	11.5
152.07921	0.7
157.06461	3.7
159.08058	0.6
160.05197	0.6
161.05937	0.4
162.06772	0.7
163.07545	52.9
164.07881	1.6
165.09126	0.8
171.08060	1.7
174.06853	0.5
174.99222	7.7
175.07549	3.0
176.08138	0.4
177.09126	1.1
187.07556	1.9
188.08311	0.4
189.09099	2.2
202.07834	0.9
203.10637	1.9
207.08098	0.4
207.13826	1.3
217.10114	0.7
220.08826	0.7
228.98196	0.3
235.11172	1.8
235.13226	0.4
243.87608	0.3
245.09630	1.3
248.08321	0.6
250.99957	1.5
253.08826	0.3
263.10657	4.1
295.13284	12.7
295.16620	0.6
296.13608	1.0
312.13297	0.4
327.10358	1.4
327.15903	14.0
327.73874	0.3
328.16171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
54.86601	2.2
55.01857	5.2
55.05268	2.0
55.05510	31.4
56.96561	3.0
57.03419	6.0
57.07060	8.0
59.04981	4.7
61.02896	3.2
65.03931	2.6
67.05504	35.7
69.03419	9.9
69.07065	82.5
70.06583	3.5
71.04983	8.7
79.05495	22.6
81.03415	11.9
81.07052	100.0
82.07363	2.6
83.04977	12.8
83.08630	20.5
84.04482	2.4
85.02905	15.0
85.06517	8.8
87.04471	3.0
89.90186	2.5
91.05477	20.9
93.07040	49.2
95.04951	9.5
95.08604	73.1
97.02873	4.7
97.06537	14.6
97.10197	11.5
98.21613	3.5
98.97562	2.4
99.04430	2.8
99.08096	4.6
103.05499	3.0
105.07047	18.4
105.41001	2.4
107.04975	3.9
107.08588	34.5
109.02869	5.7
109.06532	10.5
109.09451	4.0
109.10155	49.6
111.04442	3.9
111.08079	16.8
111.11726	21.8
115.05463	4.6
116.98665	3.1
117.03354	2.5
117.07039	6.1
119.08597	14.7
121.06451	4.5
121.10139	33.6
123.04427	2.4
123.08054	8.0
123.11705	28.6
125.09605	7.3
127.03902	5.2
127.11138	4.2
128.06270	2.4
130.04993	4.5
131.04958	4.6
131.08549	4.6
133.10139	11.5
135.04396	7.8
135.08044	5.7
135.11674	20.4
137.05957	13.2
137.09604	6.1
137.13290	11.3
139.07509	3.9
139.11182	19.7
141.06952	2.9
145.02808	5.3
145.04938	5.0
145.06496	2.7
145.10080	6.4
147.11641	6.2
149.09610	4.9
149.13268	21.9
151.07510	4.7
151.11180	7.3
151.14867	4.0
152.14304	4.5
153.12692	7.3
157.12206	4.5
159.08136	2.6
159.11688	4.4
161.05966	2.4
161.13240	7.3
163.03897	51.7
163.07513	6.0
163.11128	4.5
163.14795	6.8
164.04301	4.0
165.12730	4.6
166.12299	3.4
167.07011	2.3
173.13263	2.4
175.07605	11.3
175.14810	5.6
177.05476	3.2
177.12808	3.9
179.14291	2.9
181.05011	4.2
181.12245	2.8
184.13274	6.7
186.06831	3.0
189.16379	2.5
191.17914	3.9
194.07387	2.4
202.14355	8.6
203.18050	2.7
205.06564	4.2
209.09589	2.9
209.18971	4.8
210.14917	2.4
213.00565	2.6
215.17966	2.4
219.01833	2.1
219.08046	2.9
221.05882	2.4
223.07404	2.4
229.16301	2.1
233.06145	2.3
233.32166	2.3
235.07394	3.1
236.08244	4.7
237.09222	3.8
247.07648	3.2
250.06392	2.9
263.16565	2.3
263.23730	2.3
265.08575	8.6
266.08890	2.2
269.11752	3.7
271.16916	2.4
271.24084	3.7
277.25211	2.7
279.06339	3.3
279.09955	4.0
281.18604	3.4
283.09256	2.8
289.14203	2.4
289.17978	7.0
289.25247	9.6
292.07034	2.7
293.08066	5.7
294.08896	2.9
295.26489	4.0
307.18866	3.4
307.26288	28.6
325.10617	21.8
325.14523	8.1
325.21304	3.4
325.27432	28.7
326.11053	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	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.00299	2.8
53.03939	2.5
55.01868	3.7
55.05513	26.4
56.96578	3.1
57.03433	4.1
57.07073	9.7
59.04984	4.0
65.03942	1.7
67.05167	2.9
67.05508	35.5
67.05856	1.2
69.03429	7.6
69.07073	67.3
70.06593	4.9
70.71835	2.0
70.72197	6.5
71.05006	9.6
71.08642	2.1
73.06562	1.8
75.28588	2.5
79.05498	23.0
81.03428	8.6
81.07061	100.0
82.07417	3.6
82.96514	1.8
83.04992	9.4
83.08624	16.6
85.02917	13.1
85.06542	8.1
89.03889	2.4
91.05489	17.4
93.06104	2.0
93.07045	44.2
95.04987	10.9
95.08614	79.5
97.02869	3.6
97.06522	10.1
97.10169	10.2
98.97578	2.0
99.08087	6.1
105.07025	14.2
107.04951	3.8
107.08604	37.9
108.08124	3.1
109.02847	4.6
109.06542	9.8
109.10155	45.9
109.16404	2.3
111.04386	2.5
111.08089	18.8
111.11733	14.3
113.06022	2.2
116.98672	2.1
117.03403	3.3
117.07014	3.3
119.08588	13.5
121.06490	2.4
121.10147	34.2
123.08073	7.4
123.11710	29.7
125.09631	7.8
127.03889	4.5
127.07578	2.3
127.11147	2.4
131.08595	5.3
133.06546	3.4
133.10155	10.2
135.04434	9.4
135.08018	4.9
135.11708	22.7
137.05965	12.4
137.09602	3.4
137.13248	13.8
139.11176	14.7
145.02858	6.8
145.04997	3.9
145.10150	6.1
147.04463	2.6
147.08047	2.0
147.11679	9.6
149.13264	25.3
151.07498	2.8
151.11188	6.1
151.14801	2.3
152.14334	2.6
153.12697	4.4
157.12187	3.2
159.08041	2.2
159.11719	7.2
161.05898	2.2
161.13225	7.1
163.03915	37.0
163.07529	5.8
163.11137	3.1
163.14854	7.3
164.04327	3.3
165.12749	3.1
165.90314	1.9
166.09192	1.8
167.10678	2.0
169.12245	2.8
173.13298	3.1
175.07542	5.9
175.14780	4.6
177.16391	5.3
179.10603	2.2
179.14313	2.2
184.13322	8.1
186.06841	2.7
189.16434	3.2
191.17967	2.3
201.13155	2.6
202.14351	6.0
203.17972	4.3
215.17886	2.5
219.08061	2.3
237.09096	2.7
245.22777	1.8
265.08646	5.1
268.69208	1.8
271.16986	2.3
271.24118	5.6
277.25226	6.1
285.63202	1.9
289.18002	3.7
289.25253	9.3
293.08014	4.0
295.26443	5.2
297.11145	2.8
307.08524	2.1
307.19244	3.3
307.26309	32.2
325.10684	15.7
325.14264	5.3
325.21216	6.2
325.27505	22.2
326.23526	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	325.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
53.22384	1.6
53.83078	1.8
55.01863	3.7
55.05507	25.8
56.96546	3.1
57.03431	4.3
57.07061	7.2
57.33022	1.8
59.04992	4.1
67.05511	31.0
68.42660	1.7
69.03440	11.0
69.07069	97.6
69.42986	17.1
70.06590	3.0
71.05002	12.2
71.08633	3.5
72.08140	2.7
73.02935	2.0
79.05501	17.7
81.03432	9.0
81.07059	100.0
83.04974	7.6
83.08620	17.7
85.02905	7.3
85.06547	11.1
89.03917	2.2
91.05482	12.6
93.06473	2.9
93.07047	39.1
95.04969	7.5
95.08611	77.7
97.02918	2.5
97.06526	8.8
97.10173	8.9
99.08074	6.9
105.07031	17.4
107.04945	4.7
107.08607	43.6
109.02876	6.4
109.06525	5.4
109.10159	54.0
109.76537	1.8
111.08091	11.2
111.11719	24.0
115.05458	2.1
117.06989	3.0
119.08591	15.5
121.06481	4.5
121.09325	2.3
121.10140	32.8
123.08107	2.6
123.11713	45.7
125.09608	5.1
127.03937	2.4
127.07568	2.0
127.11178	4.1
131.08525	5.0
133.10138	11.6
135.04443	10.2
135.08066	5.7
135.11713	19.5
137.06024	4.2
137.09634	3.8
137.13248	9.4
139.11168	27.0
145.02852	5.6
145.04962	2.1
145.06386	2.4
145.10115	5.5
147.11696	13.7
149.13261	18.8
151.07568	3.3
151.11171	7.0
151.14830	2.9
152.14330	2.5
153.12766	11.0
159.11716	4.5
161.13246	6.1
163.03899	53.1
163.07571	3.1
163.11116	2.6
163.14803	9.1
164.04335	2.6
165.12723	14.0
169.12248	5.8
169.15845	3.5
173.13184	3.3
175.14749	4.7
177.16385	4.1
179.14299	2.9
181.04958	4.9
183.13791	2.6
187.14830	2.7
191.18011	3.7
193.35489	2.1
201.16310	2.4
203.18016	4.9
205.19441	2.2
215.17914	3.6
223.68669	1.8
237.08992	1.8
245.22641	2.2
265.08691	3.0
271.24191	6.7
277.25244	6.1
289.25226	17.2
295.26318	3.8
307.08334	2.1
307.19174	2.4
307.22958	4.0
307.26288	36.8
325.10443	5.1
325.14038	3.8
325.21323	3.3
325.27319	8.2
326.23355	3.6
345.92725	2.1
346.25879	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.27566	1.0
51.44653	0.9
53.03938	1.9
55.01868	3.6
55.05513	16.1
57.03425	3.0
57.07079	8.8
59.05006	1.8
62.99431	0.9
65.03951	1.0
67.05505	33.4
69.03434	4.5
69.07068	37.9
69.70182	7.5
70.06573	1.0
71.04973	5.7
71.08633	2.4
73.06538	1.5
79.05491	11.3
81.03420	3.8
81.07058	100.0
83.04956	2.3
83.08623	12.9
84.08162	1.0
85.02905	1.3
85.06544	15.7
89.06030	1.3
91.05473	6.9
93.07047	27.4
95.04970	2.8
95.08607	64.7
97.06527	6.8
97.10161	6.4
99.08100	6.3
105.07034	9.8
107.08599	24.2
109.02877	2.6
109.06506	1.8
109.10157	55.3
111.07356	2.0
111.08088	31.8
111.11709	4.4
113.09629	1.9
117.03354	1.4
119.08598	8.8
121.06548	1.3
121.10146	20.0
121.11017	1.3
123.08099	2.0
123.11710	60.0
125.09640	5.3
125.13359	0.9
127.03935	1.5
127.07566	1.8
127.11185	3.6
131.08548	1.8
133.10129	6.5
135.04436	4.1
135.11694	10.8
137.05968	2.0
137.09645	2.3
137.13254	13.7
139.11163	7.3
141.12770	2.6
145.02849	4.0
145.10101	2.7
147.11681	8.7
149.13275	17.8
151.11183	4.5
151.14835	1.9
153.12738	5.4
155.10733	1.6
155.14354	2.2
157.10197	1.0
159.11708	3.2
161.13246	4.6
163.03888	20.8
163.14851	5.6
164.06975	1.0
165.12679	5.0
167.14337	2.2
169.12285	2.1
172.44884	1.0
173.13344	2.0
175.14801	2.0
177.16451	3.2
179.14256	1.7
181.04927	1.9
183.13771	1.8
187.13295	2.9
187.14815	1.9
189.16397	2.1
191.17931	1.0
193.15862	1.2
203.17903	1.1
215.17934	2.7
221.19066	1.3
229.19453	1.6
251.20016	1.3
263.23886	1.3
271.24225	3.4
277.25250	3.2
289.25302	11.4
295.26459	2.8
307.08398	1.4
307.26294	29.6
325.10532	1.2
325.27402	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.7
55.05513	32.0
56.96583	3.1
57.03432	10.8
57.07072	3.9
67.05507	40.5
67.05835	5.1
69.03430	6.7
69.07068	19.8
69.86479	12.4
70.36424	2.6
71.04994	19.6
79.05490	37.2
81.03407	5.9
81.07061	53.5
82.07394	3.3
83.04982	6.8
83.08612	22.3
83.09030	3.1
85.06539	7.6
86.09717	9.4
91.05473	35.3
93.07040	42.2
95.04970	17.2
95.08611	36.1
97.02869	3.8
97.06523	22.3
97.10168	18.4
99.08092	3.1
105.07031	46.8
107.04964	7.6
107.08595	30.1
109.06532	14.4
109.10173	21.4
111.08075	5.2
117.07000	14.7
119.08585	39.0
121.06509	12.9
121.10139	17.0
123.08080	8.1
123.11721	5.4
125.09603	15.2
129.06966	5.9
131.08543	19.9
133.10129	30.4
135.08060	17.1
135.11728	7.4
137.09625	12.3
139.07536	5.6
139.11119	3.1
145.10107	17.0
147.08026	4.1
147.11687	18.6
149.09605	7.2
149.13286	3.5
151.11200	10.4
153.09096	4.3
157.10081	4.1
159.08075	16.2
159.11761	13.7
161.09621	6.2
161.13234	4.0
163.07532	4.5
163.11215	7.5
169.10150	4.0
171.11771	3.5
173.09630	3.3
173.13249	4.8
173.88248	2.8
175.11241	3.8
177.12761	3.9
179.14407	3.2
183.11674	6.3
187.11418	2.9
189.11206	6.9
193.12260	4.4
195.13725	2.9
215.14372	3.1
219.13844	3.2
233.15337	7.8
235.16795	3.3
239.17952	5.3
247.20482	3.8
249.18494	7.3
253.15906	5.6
257.18896	9.0
263.16434	4.7
271.16943	13.1
275.20078	100.0
275.23129	5.1
289.17993	27.6
289.21063	5.3
290.18207	2.9
293.21133	6.8
307.19031	19.4
307.22693	42.3
307.26053	3.7
317.17050	3.3
325.10818	5.3
325.20825	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01872	6.1
55.05517	20.5
55.11713	2.1
56.69959	1.5
57.03438	4.6
59.05008	3.9
65.03929	1.9
67.05508	41.3
67.73464	1.6
69.03427	3.5
69.07069	19.1
70.89173	4.2
71.05000	21.7
73.06541	2.6
75.03178	1.7
79.05499	28.4
81.03429	3.9
81.07060	48.5
83.04990	6.1
83.08611	14.7
85.06534	4.7
87.04489	2.4
91.05490	28.3
92.05775	1.8
93.07045	33.7
94.07379	1.9
95.04975	20.6
95.08611	32.3
96.05767	2.9
97.06532	14.2
97.10168	13.1
99.08105	5.5
105.07042	46.6
107.04942	6.0
107.08599	33.2
109.06532	11.8
109.10159	24.1
111.04467	2.7
111.08100	6.0
117.07032	8.7
119.05083	1.8
119.08582	36.5
121.06490	7.4
121.10151	18.1
123.04440	1.6
123.08089	8.5
123.11698	5.8
125.09641	10.3
129.06976	2.1
131.08568	15.7
133.06520	2.8
133.10133	29.3
135.08040	9.6
135.11705	10.2
137.05984	2.2
137.09605	25.4
138.10410	3.1
139.07590	1.9
139.11192	3.7
142.07722	1.7
143.08627	4.8
145.06427	2.1
145.10126	21.1
147.08044	2.5
147.11691	18.3
149.09610	13.3
149.13269	5.2
151.11198	6.0
155.08589	3.5
155.10661	2.3
157.10165	6.4
159.08061	6.4
159.11700	16.2
161.09590	2.9
161.13274	5.4
163.11166	5.8
165.09109	2.5
165.12758	2.1
169.10204	2.0
169.12277	1.8
171.11740	4.4
173.13220	4.1
175.11186	3.4
175.14838	2.3
177.12740	4.6
179.14287	2.6
181.10255	1.5
183.11690	4.4
187.11166	2.0
189.11220	5.6
189.12822	3.2
193.12283	2.6
195.13855	2.1
197.13315	4.5
199.14891	2.4
200.67499	1.6
201.12712	2.9
207.13858	1.8
209.15344	1.6
213.16394	2.2
227.16357	2.4
229.19531	3.1
231.17464	2.6
233.15268	2.0
233.19075	2.3
239.12775	3.5
239.17949	8.2
247.20575	4.1
249.18515	7.1
251.20113	1.9
257.05972	1.8
257.18982	11.4
263.16461	1.9
271.16818	2.8
275.20087	100.0
276.20346	3.9
277.21597	2.4
289.18002	10.3
289.21350	3.8
293.21140	6.3
307.19025	9.4
307.22684	46.8
307.26111	2.9
308.19656	2.4
312.05939	1.7
325.10809	2.9
325.20285	3.3
325.27332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
51.92623	2.3
53.03936	4.2
53.94497	2.5
55.01863	10.2
55.05512	37.9
57.03435	6.9
57.07072	10.2
59.04993	5.7
67.05508	90.8
69.03428	4.0
69.06725	3.2
69.07072	42.7
71.04997	49.7
71.08626	4.1
71.59359	5.4
73.06559	25.7
79.05499	49.9
81.03409	6.7
81.07062	93.5
83.04965	10.0
83.08627	32.4
85.02911	4.5
85.06537	10.2
91.05489	43.8
93.06468	4.6
93.07048	66.4
95.04978	26.2
95.08053	4.7
95.08617	70.5
97.06543	15.6
97.10180	14.9
105.07032	41.2
107.04942	9.9
107.08601	44.0
109.06524	13.8
109.09469	3.2
109.10172	44.9
111.04442	3.2
111.08070	12.5
113.05977	4.5
117.07028	12.4
119.08587	38.4
119.34119	3.6
121.06549	13.2
121.10138	38.6
123.08089	14.3
123.11707	12.9
125.05998	3.6
125.09635	11.7
129.07031	7.9
131.08572	19.3
133.10133	36.4
135.08047	12.5
135.11693	20.4
137.09599	12.8
139.07541	6.4
139.11122	6.1
143.08566	7.4
145.10121	26.8
147.08098	3.6
147.11678	12.1
149.09615	26.2
149.13261	6.7
151.11189	12.1
153.12714	3.7
153.79364	3.0
157.10138	4.4
159.11688	16.9
161.09595	3.4
161.13248	8.7
163.11200	29.4
165.12781	5.8
169.10214	4.3
171.11737	6.5
173.09525	2.9
173.11945	2.8
173.13281	10.0
174.42648	2.7
175.11159	3.5
177.12799	5.3
181.12209	5.6
187.11212	3.3
187.14836	3.3
189.11249	3.1
189.12810	3.2
191.14285	3.8
197.13208	3.0
205.12065	3.1
223.13216	7.2
229.19518	10.0
235.16942	6.1
237.18370	6.3
239.17947	10.7
247.20648	7.6
257.19052	17.9
265.21619	9.0
275.20065	100.0
279.23193	5.1
289.21536	10.0
293.21124	17.6
307.22726	84.3
307.26266	7.8
308.22922	4.3
325.23688	20.8
325.27301	13.0
336.24759	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.9
55.01867	11.0
55.05516	48.5
56.02632	3.2
57.03424	8.5
57.07069	10.0
59.04996	4.5
63.68361	3.2
65.03954	3.6
67.05505	93.2
69.03413	4.3
69.07068	41.2
69.45670	33.7
71.04992	44.5
73.06562	18.6
79.05496	45.4
81.03408	6.9
81.06576	5.1
81.07057	100.0
83.04977	9.7
83.08615	37.4
85.02878	3.9
85.06548	9.8
85.10197	4.0
91.05492	39.9
93.07041	64.5
95.04969	29.6
95.08607	73.1
97.06540	14.3
97.10172	9.8
105.07039	36.4
107.04956	9.7
107.08599	41.2
109.06521	13.0
109.10162	38.8
111.08089	19.6
113.06007	3.7
117.07030	16.4
119.08572	40.7
121.06503	8.2
121.10140	35.0
123.08052	10.9
123.11701	16.0
125.09634	13.7
131.08583	21.5
133.10149	41.6
135.08052	14.5
135.11699	22.4
137.09634	12.6
139.07536	4.8
139.11221	5.3
145.10161	26.4
147.11697	21.2
147.57286	3.5
149.09653	27.5
149.13280	7.0
151.11200	10.7
155.08575	5.1
157.10104	5.9
159.11716	17.0
161.13254	7.5
163.11208	24.0
165.12794	6.6
171.11684	6.7
173.13281	7.4
177.12801	4.9
181.12303	4.9
187.14870	4.8
195.13786	3.9
207.13690	5.1
223.13324	11.1
228.35461	3.9
229.19557	8.8
235.17047	5.5
237.18565	5.6
239.18021	11.6
247.20621	13.1
257.19006	22.8
265.21704	12.0
275.20071	99.3
276.20450	7.4
289.21606	12.9
293.21146	21.0
307.19147	3.8
307.22690	87.8
307.26291	12.7
308.22977	5.9
325.23746	28.8
325.27368	23.3
328.37189	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	325.2375
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03958	2.4
55.01875	5.7
55.05513	16.2
57.03445	2.2
57.07076	4.9
64.49271	1.4
67.05508	17.6
69.03443	3.2
69.07070	22.1
69.43831	4.8
69.44253	8.4
71.05000	3.9
71.08633	18.7
73.06559	2.0
77.39624	1.6
79.05493	11.6
81.03426	2.1
81.07062	25.6
83.04987	6.3
83.08646	7.5
83.75102	1.5
85.02902	2.2
85.06547	2.6
91.05502	7.8
91.06013	1.5
93.07062	18.1
95.04974	15.1
95.08614	22.1
97.06538	6.5
97.10175	5.4
99.08089	15.3
100.74514	1.8
104.09204	1.6
104.47990	1.5
105.07040	12.6
107.04940	2.0
107.08620	16.3
109.06522	22.5
109.10170	11.0
111.04444	3.4
111.08119	2.9
117.07038	3.7
119.08618	9.6
121.06532	6.0
121.10148	8.2
123.08040	3.6
123.11703	3.7
125.06014	1.8
125.09670	4.7
127.07596	2.0
130.19257	1.5
131.08572	5.8
133.10132	10.5
135.08102	5.3
135.11661	3.2
137.09662	5.2
139.07555	1.9
139.11201	7.0
141.09053	1.7
145.10121	5.6
147.11720	2.6
149.09641	6.4
151.11176	5.8
153.12782	2.5
159.11743	2.3
161.09610	1.8
161.13264	2.2
163.11215	3.8
165.12761	35.9
169.12305	2.1
173.09688	1.9
173.13239	3.3
177.12793	4.1
181.12393	2.1
181.15886	9.3
189.11267	3.7
191.14288	2.6
193.04988	1.7
193.12219	2.3
197.13359	2.0
209.15451	2.5
223.13417	6.2
243.58971	1.6
251.16368	3.9
261.22186	18.0
271.20435	2.3
275.20120	9.5
279.23285	5.5
289.21637	41.1
290.22076	1.6
291.19556	2.3
293.21133	6.6
293.54199	1.7
307.22681	100.0
308.23071	3.8
323.33539	1.7
325.26709	3.9
325.32455	2.1
325.76147	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
53.03940	3.8
53.32557	1.6
55.01880	9.8
55.05515	27.7
57.03436	5.4
57.07067	5.9
59.04997	5.7
65.03919	2.1
67.05508	58.8
69.03433	2.4
69.07076	31.1
69.39648	3.3
69.40050	13.7
70.53132	1.8
71.04996	32.3
72.83049	1.6
73.06557	4.9
79.05497	38.2
81.03420	10.6
81.07060	100.0
83.04988	4.2
83.08619	19.0
85.02946	1.9
85.06532	5.6
89.45986	1.9
91.05490	34.4
93.07045	34.8
95.04980	17.8
95.08607	41.2
97.06549	14.7
97.10166	5.4
99.08092	6.7
99.75696	1.8
105.07048	29.3
107.04968	11.8
107.08594	22.7
109.06521	25.3
109.10160	18.6
111.04446	14.0
111.08052	5.6
111.11692	1.9
113.05979	1.9
113.09670	4.6
117.07004	10.3
119.08585	23.5
121.06510	8.6
121.10144	18.6
123.08086	15.3
123.11726	9.2
125.09594	8.8
126.98270	2.3
127.11190	1.8
129.07062	3.2
131.08546	20.5
132.04431	4.3
133.06497	2.2
133.10162	19.6
135.08028	7.6
135.11676	13.3
137.09636	10.7
137.13217	2.0
139.07613	2.1
139.11191	5.9
141.07011	2.2
142.07698	1.7
143.08553	3.7
145.10165	11.2
147.11714	16.9
149.09621	19.9
149.13242	6.2
151.11176	5.1
157.10106	3.0
158.22485	1.7
159.08150	2.0
159.11717	9.6
161.09560	2.5
161.13234	5.3
163.11206	13.5
163.14832	2.6
165.12737	6.8
167.10767	3.0
169.10159	3.9
171.11731	4.5
173.09576	2.1
173.13260	6.2
175.11205	3.2
177.12695	3.4
181.12241	2.4
185.13226	2.6
187.11217	2.5
187.14761	3.4
191.14377	2.1
193.05017	2.4
193.12206	3.6
207.13821	2.1
229.19449	4.1
237.14830	2.8
239.17993	3.8
247.20618	6.0
257.19113	8.7
275.20090	68.8
276.20313	2.4
289.21512	2.9
293.21127	22.5
307.19196	2.2
307.22653	39.3
307.25735	1.7
325.23575	4.4
325.27164	9.9
325.76154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01873	2.8
55.05519	2.5
56.05058	1.5
56.96560	3.4
57.03438	5.6
59.05017	1.2
61.02922	3.7
65.42495	1.2
67.05490	4.1
69.03074	1.3
69.03434	17.6
69.07072	3.9
70.06583	5.7
71.01339	1.6
71.05009	6.0
71.57464	1.4
73.02932	2.5
74.80771	1.2
79.05485	5.0
81.03423	18.2
81.07037	7.4
82.06591	1.0
83.04972	1.7
83.08634	1.5
84.04504	9.0
84.08137	5.0
85.02905	27.6
86.06068	4.2
86.09705	2.7
87.04469	2.8
88.04012	1.1
91.05472	3.3
93.07043	7.1
94.45583	1.1
95.01320	1.4
95.04966	2.7
95.08595	3.7
97.02908	6.4
97.06523	1.2
98.97576	4.6
99.04475	7.5
102.05542	5.3
105.07047	2.3
107.04978	1.5
107.08607	5.3
108.07407	2.2
108.08126	27.4
109.02854	3.2
109.06519	1.3
109.10161	6.6
110.09721	2.6
112.03964	1.2
113.75000	1.3
116.07124	1.4
116.98626	4.1
117.03367	1.4
118.06581	3.3
119.08569	3.4
121.10154	4.4
122.09671	2.4
123.04465	2.1
123.11707	7.3
127.03908	5.2
130.05002	53.7
131.05397	1.2
133.10127	2.4
134.99652	4.2
135.04433	2.8
135.11693	4.7
136.07605	2.1
137.02348	3.6
137.05930	3.1
137.09619	2.1
138.09172	1.9
145.02829	1.3
145.04973	5.0
145.07626	7.7
147.09177	21.1
150.12776	10.8
151.13562	2.8
152.14351	69.3
153.05476	1.6
153.14658	1.9
154.15936	3.3
161.05875	1.6
161.09583	1.2
163.03928	11.8
163.06154	1.4
163.07535	2.0
167.07079	3.2
173.07138	7.9
173.18391	1.0
175.08641	4.1
175.14851	1.9
177.00725	1.7
177.05531	1.1
180.48749	1.1
181.05045	2.1
183.06618	1.3
184.20158	1.1
185.77477	1.1
191.08162	100.0
192.08505	4.4
193.08475	3.4
196.16969	16.5
235.18137	1.6
237.02840	1.2
239.08897	1.2
264.02899	1.3
264.15973	10.3
272.07864	1.3
280.02386	4.2
281.15094	8.6
281.18585	79.6
282.19025	4.2
283.20255	1.4
289.11713	1.7
298.03537	2.1
303.18015	1.4
307.03424	1.9
307.12903	24.2
308.13132	1.5
325.04501	1.7
325.08618	2.3
325.10077	2.4
325.14017	46.7
325.21231	64.9
325.24753	3.8
326.14200	3.7
326.21661	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	325.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01888	1.0
55.05509	2.8
56.05023	1.5
56.96564	1.5
57.03440	2.1
59.45871	0.9
62.85168	1.2
64.86459	1.0
67.05505	2.5
68.05019	1.1
69.03429	3.9
69.07066	3.1
70.06583	3.4
71.05004	1.3
71.43633	2.2
72.08150	2.1
77.73433	1.1
79.05492	14.9
80.05017	1.7
81.03416	4.2
81.07066	5.0
83.01325	1.0
83.04961	1.8
83.08636	1.0
84.04503	10.0
84.08147	2.0
85.02912	19.2
86.06074	5.7
86.09701	1.3
87.04485	1.2
91.05473	3.7
93.07043	6.7
95.01320	1.1
95.04951	3.9
95.08610	2.0
96.04504	1.0
96.08163	1.6
97.02908	3.7
97.06523	3.0
98.06066	2.0
102.05531	7.4
103.05442	1.4
105.07050	3.3
107.04977	6.9
107.08593	4.3
108.08119	35.0
108.08878	2.2
109.02885	5.4
110.09681	1.9
111.04437	1.2
114.05566	1.6
116.98586	2.1
119.08578	1.8
121.10195	1.4
122.09649	2.5
123.04487	1.5
123.08074	1.0
125.06034	1.9
126.05577	1.2
126.85540	1.0
127.03931	2.5
130.05016	65.8
131.08580	1.4
134.09656	1.6
135.04427	8.4
135.08040	1.4
135.11684	6.0
136.07564	1.5
137.02379	1.2
137.05992	1.5
138.09200	1.2
145.02879	1.2
145.05046	1.9
145.06458	1.7
146.09631	1.9
147.04427	1.3
147.09203	4.3
150.12796	11.8
151.04019	1.2
151.13583	1.9
152.14348	81.1
153.05484	4.0
153.14754	2.4
154.08771	1.1
154.15915	2.3
161.05962	1.1
163.03940	11.6
164.04298	1.4
164.07094	1.2
167.07063	9.5
171.06570	5.3
175.11264	1.3
176.89960	1.0
178.15932	1.9
181.04962	1.3
191.08235	3.5
196.16992	26.1
235.18103	3.0
264.16028	12.3
276.03073	1.0
276.39197	1.0
281.18607	62.9
282.18866	3.7
283.20081	1.2
307.11911	3.5
307.20020	2.0
308.18555	4.3
313.09064	1.1
325.07202	1.5
325.10760	3.1
325.13950	4.5
325.21240	100.0
326.21674	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.84225	1.3
53.03944	4.5
54.13575	1.0
55.01856	4.2
55.05509	11.4
57.03437	6.2
64.62902	1.1
65.03940	1.9
67.05502	17.1
69.03412	1.2
69.07066	6.5
70.22070	5.8
71.01358	1.8
71.04984	2.6
79.05059	2.5
79.05495	35.9
81.03408	5.9
81.07059	100.0
83.04968	5.5
83.08632	6.8
85.02909	1.4
85.06557	1.8
91.05481	13.2
93.06474	1.7
93.07047	26.1
95.04978	6.9
95.08611	18.8
97.06529	5.2
97.10172	4.1
98.35022	1.1
104.03619	1.4
105.07018	9.8
107.04960	5.4
107.08594	12.9
109.06524	52.0
109.10159	6.0
111.04428	1.6
111.08084	8.7
113.05995	1.3
117.06981	3.0
119.08585	8.5
121.06494	4.3
121.10141	18.0
123.08079	10.1
123.11712	1.2
125.09633	4.0
129.07040	1.5
131.08585	7.5
133.10121	10.7
135.08044	6.6
135.11734	1.5
137.06035	1.5
137.09636	3.7
139.07564	5.3
139.11185	4.0
141.09077	4.0
143.08598	2.4
145.10143	3.5
147.08063	2.6
149.09630	5.2
151.07545	3.1
151.11174	3.3
153.09129	4.2
155.08505	1.3
157.10144	3.1
159.08066	3.7
161.09608	5.5
163.07545	2.3
163.11226	2.5
165.09138	2.0
167.10666	6.6
169.10110	1.7
173.09569	1.8
173.11754	1.3
175.60114	1.2
177.09157	1.6
179.10687	2.7
185.11691	1.5
187.11246	2.3
187.13156	1.3
189.11186	2.9
191.10681	2.0
201.16357	1.5
209.11676	1.8
243.17384	2.3
261.18527	10.3
271.17014	8.5
289.17963	20.3
293.21146	2.5
307.18948	5.0
307.22516	2.8
325.20099	34.3
325.23389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03948	4.9
55.01860	18.5
55.05511	49.4
57.03424	17.9
58.59094	3.9
61.50695	4.3
62.72094	4.8
65.76736	5.4
67.05506	80.3
69.03423	7.6
69.07050	22.5
69.12865	4.1
70.73709	15.0
71.04996	5.4
79.05495	61.2
81.03416	14.7
81.07066	84.1
83.04977	18.5
83.08617	20.5
85.02883	7.2
87.37731	4.7
91.05483	46.4
93.07055	48.7
95.04969	70.7
95.08613	32.9
97.02906	5.8
97.06523	15.4
97.10175	31.0
103.70360	5.0
105.07013	30.4
107.04945	48.3
107.08604	30.9
107.12475	4.5
107.53712	4.5
108.05768	5.3
109.06509	46.5
109.10151	48.3
111.04473	8.2
111.08088	9.6
112.05177	7.2
117.07040	15.6
119.04984	5.2
119.08602	28.5
121.06505	17.8
121.10130	10.9
122.07326	23.8
123.04414	10.2
123.08081	5.4
125.05993	9.5
125.09630	17.4
128.06270	5.8
131.08588	16.7
133.06491	8.6
133.10129	15.0
135.08051	15.3
135.11617	5.4
137.06010	21.1
137.09616	100.0
139.07558	20.5
143.08606	6.7
145.06554	9.2
145.10156	13.2
147.04659	4.6
147.08072	16.4
147.11662	8.9
151.07674	4.8
159.11638	7.7
161.09579	10.8
163.07568	7.9
163.11198	10.8
165.09155	5.0
173.13237	7.4
177.09108	8.0
187.14886	6.5
189.11223	19.9
189.12726	8.3
217.15933	5.8
219.26495	4.9
233.15367	34.3
251.16560	9.5
261.14990	5.2
272.17838	5.0
273.18347	6.6
279.16083	6.6
289.18030	13.4
289.21539	8.0
290.18716	12.4
291.19818	5.2
292.34131	5.2
307.19290	10.9
307.22742	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
50.03202	3.2
53.03940	6.7
55.01873	12.6
55.05513	62.8
57.03440	28.4
57.07059	4.0
59.04978	3.5
65.03936	4.9
67.05505	74.6
69.03447	8.0
69.07073	31.1
70.99232	4.7
71.04990	25.9
72.01768	3.1
79.05500	53.9
81.03423	12.7
81.07060	66.1
83.04982	9.3
83.08613	32.9
84.68636	3.5
85.06541	4.8
87.04470	3.8
91.05485	50.6
93.07045	55.2
95.01331	5.9
95.04973	33.2
95.08611	40.9
97.02879	4.3
97.06529	43.4
97.10179	44.0
99.08044	3.9
105.06365	6.8
105.07034	59.0
106.65822	3.0
107.04975	21.4
107.08602	50.4
109.06529	26.8
109.10162	30.6
111.04443	6.0
111.08088	7.6
115.07593	12.3
117.07028	19.6
119.08581	54.3
121.06534	24.9
121.10162	17.9
123.04433	5.9
123.08093	13.5
125.09643	38.1
129.07021	7.6
131.08559	28.0
133.06482	3.9
133.10152	32.7
135.08047	25.8
135.11681	9.3
137.09648	26.1
139.07530	5.8
139.11183	4.9
143.08623	4.9
145.06538	5.0
145.10126	22.0
147.08061	13.4
147.11703	25.3
149.09665	15.1
151.11157	6.4
153.09160	4.3
155.08662	5.6
157.10204	9.0
158.34160	3.0
159.08072	79.2
159.11679	17.7
161.09657	8.7
161.13260	8.5
163.07574	12.7
163.11232	8.1
169.10123	4.8
171.11723	6.0
173.09666	6.2
173.13274	7.8
175.11223	7.7
177.09132	5.1
177.12790	4.1
183.11656	3.9
185.09627	9.5
187.14862	4.8
189.11206	25.7
189.12706	4.8
193.12254	7.2
197.13191	3.6
211.13206	4.7
217.12073	5.0
219.13828	3.8
229.19452	4.1
233.15382	9.4
237.14934	10.1
239.12752	5.0
239.18044	6.0
243.17403	3.3
249.18452	6.6
253.15860	21.0
257.18979	10.8
261.18518	7.8
271.16928	35.2
275.20084	100.0
275.23135	5.2
289.17996	77.2
289.21094	2.9
290.18460	3.9
293.21210	7.4
307.19055	75.6
307.22702	39.7
325.20190	33.1
337.00177	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03938	1.3
55.01627	1.1
55.01875	15.3
55.05510	29.7
57.03416	1.8
59.04999	1.2
65.03947	1.3
67.05511	12.4
69.03423	2.1
69.07068	8.9
70.78163	3.3
71.04994	2.4
79.05489	11.8
81.03433	1.7
81.07054	12.4
83.04997	6.7
83.08619	25.8
85.02901	1.6
85.06548	1.3
91.05480	7.6
93.07047	13.0
95.04410	1.0
95.04950	5.4
95.08613	4.1
97.02888	3.5
97.06519	13.1
97.10156	11.4
105.07046	4.6
107.04974	3.9
107.08595	12.0
109.02883	1.3
109.06532	4.1
109.10164	3.7
109.44753	1.1
111.04444	4.6
111.08109	4.5
111.11670	1.0
117.07040	3.2
119.08576	5.1
121.06499	11.9
121.10154	3.5
123.08118	2.0
123.11703	1.7
125.09631	12.3
127.07556	10.3
131.08527	2.8
133.10149	1.4
135.08028	7.6
135.11697	3.2
137.09621	4.3
139.07541	100.0
143.10638	2.3
145.06502	3.1
145.10106	2.5
149.09723	2.6
153.09148	3.5
153.12778	2.7
159.08026	2.0
163.07568	5.7
163.11234	6.4
169.12193	1.2
173.09703	1.7
181.08638	2.6
181.12251	2.9
189.11215	21.4
191.10699	5.0
193.12244	29.7
219.13814	2.1
261.18536	6.0
271.16971	3.7
275.20184	1.2
289.17978	36.9
293.21146	1.3
294.15051	1.1
307.19016	29.8
317.89731	1.2
325.23788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.01025	3.3
53.03936	7.3
55.01877	13.1
55.05514	30.3
56.96557	2.4
57.03431	13.6
57.07064	4.5
58.50066	2.7
58.54713	2.2
67.05169	3.8
67.05504	55.7
68.96140	2.7
69.03419	6.1
69.07073	20.9
70.79369	6.4
71.01350	3.6
71.04987	15.7
76.11314	2.3
79.05495	38.7
81.03420	17.6
81.07053	53.7
83.04982	33.0
83.08632	15.3
85.02918	2.7
85.06535	10.7
91.05482	34.8
93.07051	43.4
95.04959	28.1
95.08609	29.9
97.02932	2.6
97.06537	100.0
97.10163	6.8
99.04409	3.0
99.08070	3.2
105.07034	30.8
107.04974	14.5
107.08595	26.5
109.06507	23.1
109.10159	33.5
111.04431	7.3
111.08064	13.3
113.06010	10.6
115.05473	2.8
117.07016	13.5
119.04894	4.1
119.08585	21.9
121.06492	12.4
121.10126	9.1
123.04388	6.1
123.08041	13.6
123.11703	5.1
125.05997	6.8
125.09618	9.9
129.07007	8.6
130.88104	2.5
131.08553	15.1
133.06479	6.6
133.09247	2.7
133.10149	33.3
135.08038	8.0
135.11694	6.9
137.05988	5.3
137.09592	7.3
139.07535	9.0
143.08534	4.9
145.06462	3.7
145.10103	9.2
147.08035	4.7
147.11690	5.5
149.06056	3.2
149.09608	7.8
149.13255	3.0
151.07564	3.8
151.11182	16.7
155.08568	3.9
156.40314	2.8
157.10094	7.2
159.08031	8.2
159.11748	7.2
161.09586	7.6
161.13266	5.0
161.17654	2.8
163.07574	7.0
163.11171	7.1
165.09065	4.0
169.12198	4.7
171.11717	6.1
173.09610	7.4
173.13419	2.8
177.09041	3.9
177.12694	6.9
185.09593	3.0
187.11218	3.7
189.11214	3.7
189.12802	5.0
191.10600	3.4
193.12273	5.2
204.16841	2.4
205.15796	3.4
215.14395	3.1
218.71521	2.6
219.13892	4.5
223.13216	5.1
225.16263	3.1
233.15385	9.2
236.80736	2.6
237.14813	4.1
243.17451	5.8
253.15970	2.9
261.18591	17.4
263.16425	7.5
271.16949	15.7
271.76315	2.5
279.19528	3.6
279.57321	2.6
289.18027	72.0
289.21323	5.2
293.20938	9.9
307.19022	36.7
307.22684	9.2
323.33331	2.6
325.20163	16.5
325.23608	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03935	2.4
55.01865	8.3
55.05516	14.6
56.96559	2.5
57.03433	5.1
67.05505	35.0
69.03420	4.3
69.07065	17.3
70.18268	7.3
71.04987	6.4
76.55563	2.1
79.05497	28.9
81.03426	6.8
81.07056	43.6
83.04984	11.0
83.08617	6.1
85.02926	2.7
85.06539	5.9
88.35828	1.9
91.05479	23.3
93.07060	18.3
95.04969	11.8
95.08604	14.1
97.06536	100.0
97.10165	4.7
98.21420	3.1
102.41376	1.8
105.07029	18.4
107.04962	9.0
107.08604	16.7
109.02883	3.1
109.06523	26.0
109.10164	31.7
111.04440	6.5
111.08064	6.6
113.05999	5.9
117.07031	6.7
119.08569	9.8
121.06496	4.1
121.10126	3.6
123.04446	2.8
123.08047	5.2
123.11742	5.4
125.09618	5.0
131.08537	6.0
133.06548	2.7
133.10129	28.1
135.08049	4.2
135.11685	3.7
137.09657	7.2
139.07562	4.0
145.10121	2.2
147.11707	4.6
149.09644	2.7
149.32478	2.4
151.11186	14.8
157.10153	3.4
159.08015	3.2
161.09698	2.6
163.11168	2.1
165.09027	2.6
165.12877	2.3
169.12218	2.9
177.09225	3.1
177.12788	3.7
183.10231	2.8
187.11224	2.2
188.72586	2.1
189.11201	2.8
193.12274	5.6
211.13254	4.8
212.60924	3.6
215.12753	2.3
221.11697	3.4
237.14934	2.1
241.14392	2.6
243.17804	2.5
261.18414	7.3
263.16519	2.2
271.17001	5.7
279.19833	2.1
281.10666	2.1
282.11093	2.5
289.17990	25.4
307.19034	16.8
325.10526	3.1
325.20200	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	325.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01878	2.4
55.05511	0.4
56.96553	0.8
57.03441	3.3
59.05001	0.4
59.95085	0.2
61.02903	1.0
67.05478	0.7
69.03431	15.2
69.07059	0.6
69.68520	0.2
70.06593	1.3
71.01334	0.8
71.04995	5.7
71.58824	0.4
73.02898	0.9
74.97925	0.2
75.04474	0.4
79.05486	0.5
81.03421	16.4
81.07076	1.4
83.04961	0.4
84.04501	0.5
84.08150	1.9
85.02907	3.0
86.09708	0.3
87.04467	0.7
91.05463	1.1
93.07036	0.5
94.06570	0.3
95.08581	1.2
97.02885	0.8
97.06493	0.4
98.97578	1.3
99.04456	5.8
105.07011	0.7
107.04942	0.6
107.08592	0.8
108.08097	0.7
109.02885	1.0
109.06544	0.3
109.10131	1.2
116.04961	0.3
116.98626	1.4
117.05482	1.7
118.06545	4.1
119.08596	0.6
120.08038	0.3
121.02837	0.3
121.10136	1.2
122.09647	0.4
123.04418	0.5
123.08052	0.4
123.11715	1.5
124.07626	0.4
127.03900	0.7
130.05017	1.4
132.10254	0.3
133.10115	0.6
134.99664	0.7
135.04425	1.1
135.11676	0.5
137.02373	0.5
137.05998	0.6
137.09599	0.4
145.02827	0.6
145.04967	0.7
145.06630	0.3
145.07611	7.1
145.08771	0.4
145.10068	0.3
147.05519	0.3
147.09175	9.9
148.06299	0.3
149.02325	0.5
149.13254	0.4
152.14380	1.7
162.07880	1.0
163.03918	5.5
163.07491	0.6
163.08685	1.4
167.07054	0.4
173.05699	0.6
173.07126	11.0
175.08685	5.7
175.14848	0.8
177.00684	0.3
181.04971	0.9
185.07086	0.3
187.08737	0.5
189.50996	0.2
190.07532	0.3
191.08160	100.0
192.08467	0.8
193.00203	0.5
193.08409	1.1
196.17015	0.5
203.08134	0.5
205.09726	0.6
213.10388	0.4
215.11783	0.6
231.11249	0.3
233.09248	0.8
235.01414	0.3
259.10962	0.3
271.10782	0.4
280.02414	1.1
281.15158	0.7
281.18655	1.1
281.21811	0.3
289.11893	1.7
298.03598	0.5
303.07571	0.4
307.12900	32.3
308.13165	0.8
325.13977	32.5
325.21170	1.8
325.24908	0.9
326.14316	0.8
342.79623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78386	0.2
53.03949	1.6
54.16256	0.2
55.01866	2.1
55.05510	0.4
56.96550	0.7
57.03189	0.3
57.03440	3.2
59.04995	0.7
61.02916	0.9
64.49368	0.2
67.05499	0.6
69.03429	15.9
69.07045	0.5
70.06583	0.7
71.01336	0.9
71.04990	5.4
71.57406	0.4
73.02918	1.2
75.04475	0.6
76.52263	0.2
77.50799	0.3
79.05477	0.5
81.03419	16.7
81.07036	1.0
83.04980	0.3
83.08609	0.3
84.04481	0.3
84.08146	1.6
85.02888	2.2
86.09688	0.5
87.04423	0.3
88.56777	0.3
91.05475	1.0
93.07038	0.6
95.04950	0.4
95.08599	0.7
97.02873	0.7
98.97577	1.0
99.04456	6.8
105.07014	0.6
107.04948	0.5
107.08576	0.5
108.08110	0.3
109.02846	0.9
109.10152	1.2
116.04934	0.3
116.98598	0.9
117.05483	1.5
118.06541	4.1
119.08568	0.7
120.08105	0.5
121.10144	0.9
122.09645	0.3
123.08028	0.3
123.11722	1.3
123.12485	0.2
127.03908	0.9
130.04991	0.6
131.28622	0.2
132.10168	0.3
133.10107	0.5
134.99652	0.4
135.04387	1.0
135.11650	0.5
137.05936	0.5
137.09602	0.4
145.02831	0.4
145.04958	0.6
145.06543	0.5
145.07611	6.0
147.09175	8.8
149.02345	0.4
150.96854	0.3
152.14346	1.3
159.09105	0.3
161.07118	0.3
162.07895	1.1
163.03899	4.9
163.06006	0.3
163.07478	0.5
163.08684	1.0
167.07068	0.4
173.07112	10.7
175.06363	0.4
175.08676	6.2
175.14767	0.4
177.09940	0.4
181.04900	1.2
185.06981	0.3
187.08650	0.5
190.07353	0.3
191.08151	100.0
192.08432	0.9
193.00209	0.4
193.08377	1.1
203.08176	0.5
203.11627	0.3
205.09729	0.7
213.10271	0.5
215.11801	0.4
231.11293	0.4
233.09200	1.4
235.01427	0.3
261.08420	0.4
280.02429	0.3
281.15054	0.5
281.18600	0.9
289.11810	2.0
298.03497	0.4
303.07504	0.4
307.12881	35.1
308.13092	0.4
325.09662	1.3
325.13953	36.8
325.21310	1.4
325.24872	0.6
326.14496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01875	9.6
57.03439	12.0
61.02930	6.6
69.03436	35.0
69.07075	0.8
71.01353	1.6
71.04987	2.5
71.19286	1.5
71.19626	1.0
73.02918	6.4
77.33027	0.6
81.03417	4.3
83.01359	0.8
85.02910	100.0
87.04472	1.9
91.03979	1.4
97.02898	33.5
99.04460	8.1
101.02400	6.6
102.05572	0.8
103.03934	1.5
107.04992	0.7
109.02885	6.3
111.55820	0.7
115.03930	3.5
115.18044	0.7
127.03926	63.1
145.04970	42.7
163.06079	4.2
184.51436	0.8
185.63304	0.7
264.10788	0.7
271.08115	0.8
277.40659	0.7
307.08899	1.0
325.08511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
54.05827	0.7
55.01874	9.5
57.03444	11.4
61.02929	7.1
69.03436	38.1
70.22829	3.1
71.01367	1.1
71.04987	2.3
73.02918	5.9
81.03429	6.2
83.01363	1.0
85.02911	100.0
86.03228	0.9
87.04453	1.0
91.03959	1.6
97.02901	30.3
98.21415	1.0
99.04466	7.5
101.02393	7.7
103.03956	1.5
109.02877	6.0
115.03942	3.7
123.04433	1.1
127.03925	67.6
128.04250	0.7
135.61282	0.6
143.58537	0.7
144.03712	1.2
145.04965	42.0
146.05234	0.9
155.92513	0.7
163.06049	5.0
220.04253	0.8
307.08838	1.7
325.09244	0.9
336.60162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44020	1.3
53.03940	2.7
55.01865	4.0
56.05006	1.5
57.03441	5.6
59.06100	1.7
61.02921	9.7
65.03951	1.3
69.03426	18.8
69.70341	8.0
70.06571	1.8
71.01354	1.7
71.04995	3.4
71.54353	1.1
73.02910	5.3
79.05401	1.1
81.03419	6.9
83.04955	1.1
84.04515	1.4
84.43758	1.0
85.02907	100.0
87.04462	2.1
91.03954	3.3
91.05466	1.7
93.04425	1.1
95.04965	1.9
96.04514	1.4
97.02895	20.5
99.04446	4.0
101.02345	1.2
103.03951	2.0
107.04957	4.1
109.02894	8.5
109.05255	3.1
111.04438	3.1
115.03928	1.4
115.05540	1.3
119.06130	1.6
120.04492	1.7
121.02890	3.0
122.06033	1.5
123.04430	4.1
126.57119	1.2
127.03918	19.9
128.64494	1.1
132.04469	9.6
133.06465	1.4
135.04449	2.0
136.03973	5.7
137.02344	4.5
138.05524	2.0
139.03923	4.4
141.59741	1.1
145.04964	29.5
147.05554	3.8
148.03947	4.3
148.07629	1.6
149.04845	1.2
150.05553	1.7
159.08022	1.6
160.06056	3.1
161.05965	1.6
162.05502	2.9
163.03897	26.0
163.05038	5.6
163.06229	8.0
164.07124	2.0
173.05980	1.7
175.07471	1.6
176.05524	1.9
178.05019	1.7
206.04562	1.3
216.06500	1.5
235.09613	2.1
265.10760	1.2
271.51950	1.4
289.10721	1.5
289.13919	1.2
325.10251	3.7
325.14401	2.8
326.08704	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	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01871	0.6
55.05502	1.1
56.96556	1.1
57.03423	1.0
59.05011	3.0
61.02914	0.6
63.02380	0.4
67.05499	1.6
69.03431	5.5
69.07072	1.9
70.06589	0.9
71.04980	1.0
71.57447	0.5
73.02914	0.5
73.86771	0.4
79.05483	3.1
79.41484	0.4
81.03417	13.5
81.07053	3.7
83.08614	0.8
85.02901	6.5
85.06525	1.0
89.03402	0.5
89.03915	6.0
89.06018	0.8
91.05480	3.9
92.87081	0.3
93.07052	2.4
95.04964	0.8
95.08609	2.9
96.08118	0.4
97.02872	2.0
97.06528	0.6
98.97578	0.4
99.04459	1.5
99.08133	0.4
105.07024	1.4
107.04962	2.9
107.08569	1.8
109.02875	6.9
109.06503	0.6
109.10146	2.2
111.04453	0.5
111.08081	0.5
116.98629	0.4
117.03375	7.4
117.07025	0.5
117.09098	0.5
119.08547	1.1
121.06487	0.6
121.10165	1.8
123.08088	0.4
123.11657	0.9
127.03908	2.1
130.04956	0.7
131.04903	0.4
131.08521	0.3
133.10156	0.9
135.04422	17.8
135.07997	0.6
135.11662	0.9
136.04715	0.7
137.05966	1.5
137.09572	0.5
138.00125	0.3
139.03848	0.6
145.02843	11.9
145.03993	0.7
145.04945	0.5
146.03209	0.5
147.11679	0.6
151.07530	0.9
152.14372	0.5
157.09996	0.5
161.05962	0.8
161.09644	0.4
163.03905	100.0
163.14812	0.4
164.04216	3.9
167.07063	1.0
175.07558	0.5
177.00826	0.4
181.04990	3.2
186.05476	0.4
191.08188	0.5
193.08629	0.4
222.06721	0.4
237.09071	0.4
241.75555	0.4
259.08591	0.9
265.08740	0.5
279.10178	0.4
281.18671	0.4
307.08109	15.9
307.26355	0.4
308.08545	0.8
325.09836	2.0
325.14377	1.3
325.21268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03941	0.9
55.01867	0.4
55.05507	1.9
56.82779	0.3
56.96558	0.7
57.03432	0.9
57.07076	0.5
59.04990	0.2
61.02918	0.4
65.03915	0.3
67.05502	2.4
69.03074	0.3
69.03432	4.4
69.07074	2.9
70.06581	0.3
70.50605	1.0
71.04984	0.9
71.08620	0.3
73.02905	0.4
79.05492	2.6
81.02981	0.5
81.03424	7.8
81.07061	5.7
83.04980	0.8
83.08614	0.8
84.08134	0.3
85.02419	0.4
85.02906	5.2
85.06548	0.7
85.68003	0.3
89.03912	4.4
91.05489	1.5
93.07054	2.6
95.04978	1.4
95.08604	5.0
97.02915	1.5
97.06510	0.7
97.10167	0.6
98.21529	0.2
99.04453	1.0
99.08086	0.4
101.06019	0.3
103.05457	0.2
105.07021	1.4
107.04959	2.3
107.08616	2.3
109.02878	3.0
109.06521	0.3
109.10147	2.9
111.08078	1.1
117.03384	6.8
117.07005	0.5
119.08600	1.2
121.06502	3.3
121.10144	1.6
123.08114	0.6
123.11678	1.8
125.09648	0.6
127.03949	1.5
130.04958	0.5
132.04456	0.4
133.10129	1.0
134.03749	0.3
135.04427	17.3
135.08015	0.4
135.11713	1.4
136.04761	0.5
137.05997	0.9
137.09666	0.3
137.13261	0.6
139.11171	0.4
145.02852	13.0
145.10114	0.8
146.03273	0.3
147.07948	0.3
147.11664	0.8
149.13248	0.7
151.07500	0.5
152.14308	0.5
153.09164	0.3
153.12712	0.4
159.11662	0.6
161.06032	0.3
161.09598	0.3
161.13242	0.7
163.03911	100.0
163.14816	1.0
164.04239	1.9
164.07103	0.4
165.12677	0.3
167.07014	0.4
175.07518	0.3
181.04961	2.7
181.12265	0.3
186.05508	0.4
191.18137	0.3
224.76251	0.3
244.09837	0.3
271.24152	0.3
281.12042	0.3
281.18588	0.3
289.17923	0.9
289.25272	0.6
293.08093	0.4
307.08127	7.8
307.26254	1.6
308.08325	0.4
325.09299	2.1
325.14423	0.6
325.21054	0.9
325.27606	0.3
332.04944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03947	1.8
55.01871	0.6
55.05502	1.1
56.96556	1.1
57.03423	1.0
59.05011	3.0
61.02914	0.6
63.02380	0.4
67.05499	1.6
69.03431	5.5
69.07072	1.9
70.06589	0.9
71.04980	1.0
71.57447	0.5
73.02914	0.5
73.86771	0.4
79.05483	3.1
79.41484	0.4
81.03417	13.5
81.07053	3.7
83.08614	0.8
85.02901	6.5
85.06525	1.0
89.03402	0.5
89.03915	6.0
89.06018	0.8
91.05480	3.9
92.87081	0.3
93.07052	2.4
95.04964	0.8
95.08609	2.9
96.08118	0.4
97.02872	2.0
97.06528	0.6
98.97578	0.4
99.04459	1.5
99.08133	0.4
105.07024	1.4
107.04962	2.9
107.08569	1.8
109.02875	6.9
109.06503	0.6
109.10146	2.2
111.04453	0.5
111.08081	0.5
116.98629	0.4
117.03375	7.4
117.07025	0.5
117.09098	0.5
119.08547	1.1
121.06487	0.6
121.10165	1.8
123.08088	0.4
123.11657	0.9
127.03908	2.1
130.04956	0.7
131.04903	0.4
131.08521	0.3
133.10156	0.9
135.04422	17.8
135.07997	0.6
135.11662	0.9
136.04715	0.7
137.05966	1.5
137.09572	0.5
138.00125	0.3
139.03848	0.6
145.02843	11.9
145.03993	0.7
145.04945	0.5
146.03209	0.5
147.11679	0.6
151.07530	0.9
152.14372	0.5
157.09996	0.5
161.05962	0.8
161.09644	0.4
163.03905	100.0
163.14812	0.4
164.04216	3.9
167.07063	1.0
175.07558	0.5
177.00826	0.4
181.04990	3.2
186.05476	0.4
191.08188	0.5
193.08629	0.4
222.06721	0.4
237.09071	0.4
241.75555	0.4
259.08591	0.9
265.08740	0.5
279.10178	0.4
281.18671	0.4
307.08109	15.9
307.26355	0.4
308.08545	0.8
325.09836	2.0
325.14377	1.3
325.21268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.12231	0.3
52.23276	0.3
53.03934	0.4
54.26315	0.4
55.01870	0.6
55.05506	2.3
57.03433	0.4
58.06591	0.5
60.41168	0.3
67.05500	3.5
69.03420	0.4
69.07068	9.2
69.96159	1.5
69.96565	0.8
70.04062	0.3
71.04980	0.8
79.05508	3.8
80.05840	0.3
81.07059	7.2
82.07436	0.5
83.04984	3.4
85.02904	0.5
86.09705	100.0
86.34547	0.3
87.10052	0.4
91.04963	0.6
91.05489	8.3
93.06464	0.7
93.07045	11.6
95.04945	3.1
95.08604	2.8
95.75638	0.3
97.06538	0.9
98.21358	0.5
105.07030	14.4
107.04928	0.4
107.08607	3.7
109.06516	8.5
109.10151	1.1
111.08080	3.4
117.07013	0.7
119.08588	4.8
121.06512	0.8
121.10159	1.0
123.08072	1.4
123.11708	0.6
128.10713	4.9
129.06981	0.9
131.08572	4.2
132.10205	30.8
133.06480	1.2
133.10127	19.5
145.10110	0.5
147.11684	13.3
149.09602	1.4
149.13284	1.1
151.07579	3.5
151.11180	44.0
153.11861	0.4
156.10242	1.1
157.10143	0.7
160.03905	0.6
163.11220	0.4
165.12746	2.4
169.29057	0.4
171.03462	0.4
171.88118	0.4
175.11182	4.2
193.12239	4.2
194.01265	0.3
201.16125	0.4
202.08623	0.4
210.14932	0.8
222.14882	0.8
247.55325	0.3
260.20108	7.1
278.21152	31.3
279.21567	0.8
306.20657	8.2
324.21686	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	324.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.5
55.05515	2.4
56.96544	4.5
57.03435	5.3
61.02923	5.0
69.03423	10.9
69.07068	5.8
70.06601	20.2
71.04668	4.4
71.05024	11.2
71.08619	4.9
72.08168	3.5
73.02924	4.0
74.06086	4.2
81.03401	7.1
81.07070	24.6
85.02914	38.2
85.06535	4.6
91.03944	3.6
91.05466	6.2
93.07048	2.6
95.04962	3.1
96.52525	2.3
97.02890	8.2
98.06055	2.5
98.97571	4.0
99.04444	2.9
99.08099	9.3
103.05468	3.2
107.04974	3.0
107.08559	3.0
109.02881	7.1
109.06509	22.6
109.10165	3.5
115.05454	6.0
116.07094	2.9
117.07059	4.5
121.02837	2.9
122.06023	2.7
123.04400	5.9
127.03935	9.0
127.07567	40.9
127.94230	2.5
130.04933	2.5
130.09747	9.1
130.69235	2.4
131.04912	2.9
132.04446	12.6
133.06514	3.3
134.99710	3.4
135.04358	2.7
137.02383	3.8
137.06052	2.9
139.05028	5.2
145.04987	14.0
145.06491	5.4
145.08612	100.0
147.08049	2.8
147.09134	2.7
150.05510	2.7
151.11197	5.1
158.91980	2.6
158.99626	2.8
163.03915	23.0
163.07458	2.6
167.07057	7.8
167.11768	3.0
173.05983	4.3
175.07556	6.6
177.00650	3.2
177.05493	3.8
187.07697	2.7
191.07076	2.9
193.08595	5.9
195.11302	6.1
198.01869	3.2
205.08585	9.4
207.10222	6.4
235.09724	12.8
236.03419	3.3
259.06146	3.4
264.02954	47.2
265.03400	4.6
265.10629	2.9
289.10916	5.1
299.12167	2.5
307.11896	3.2
324.05112	26.9
324.11020	8.7
324.15781	12.8
325.05353	4.0
341.42535	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	324.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.3
55.05521	6.3
56.05032	5.7
56.96551	6.0
57.03437	10.8
58.06606	7.4
60.04524	23.2
61.02920	11.9
67.05527	5.6
67.35944	4.5
69.03436	38.2
70.06598	71.6
71.04990	8.9
71.59017	6.9
72.08157	11.1
73.02923	10.8
74.06087	6.1
74.37662	4.2
76.46116	4.2
79.05489	5.2
79.60663	4.2
81.03433	15.5
81.07082	6.7
83.04964	24.9
83.41100	4.0
84.04499	7.5
84.08149	9.0
85.02910	97.7
85.06559	19.5
86.06044	7.2
87.04450	4.9
88.07621	10.6
91.03981	5.7
93.07046	9.3
95.04984	8.8
96.08168	4.7
97.02898	33.2
97.06585	5.2
97.64722	4.0
98.97592	8.7
99.04465	10.0
100.07639	9.8
107.04941	8.5
109.02888	10.2
109.06500	10.9
109.95307	4.8
114.09169	9.2
116.98653	9.2
118.08678	10.9
120.01231	4.2
123.04449	16.2
127.03917	46.4
127.07579	12.2
128.40454	4.2
132.04437	25.6
137.02303	8.2
139.03912	11.3
144.10251	14.5
145.04977	38.1
145.08643	9.5
158.99683	5.2
162.05510	13.5
162.11267	100.0
163.03912	4.8
164.07063	4.6
167.07031	4.5
171.05589	4.5
177.03368	7.2
178.05054	6.4
234.07559	8.5
234.57788	5.4
237.02882	10.4
243.83025	5.4
324.16504	51.1
325.09100	14.0
325.14157	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	323.2583
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
50.56953	0.6
52.36966	0.7
53.03938	1.4
55.01860	1.7
55.05508	7.8
57.03432	0.8
57.07067	1.9
61.90185	0.7
62.06086	6.6
63.93163	0.8
65.65305	0.6
67.05506	19.4
69.07074	9.1
69.56985	5.2
71.04970	1.5
71.08637	11.2
79.05495	16.5
81.03416	3.4
81.07060	24.3
83.04980	3.7
83.08644	5.8
85.06538	1.1
90.05840	0.7
91.05492	6.3
93.07046	23.0
94.07285	0.7
95.04970	3.4
95.08610	19.8
97.06544	3.4
97.10165	1.9
99.08095	8.6
105.07047	4.3
107.08594	17.3
109.06571	1.6
109.10171	7.4
111.08053	2.6
117.06998	0.8
119.08591	5.3
121.09311	1.2
121.10146	15.9
123.08056	1.1
123.11700	2.1
125.09644	0.9
129.04886	0.7
131.08627	1.2
133.10150	3.8
135.11710	11.0
137.09634	0.9
139.11131	0.7
141.09081	2.3
143.41966	0.8
145.10123	1.1
147.11681	4.1
149.13249	3.8
151.11160	1.9
153.12746	2.1
159.11749	0.6
161.13223	1.3
163.14803	1.2
167.49309	0.6
167.80388	0.7
173.13223	0.9
189.16388	2.6
207.17451	100.0
208.17798	3.1
263.20026	1.7
287.23779	1.6
299.41641	0.7
305.24738	15.3
306.24976	0.9
323.25897	1.5
324.29175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03938	4.6
55.01873	4.0
55.05510	19.6
56.96555	2.2
57.03417	2.5
57.07081	12.7
59.05009	2.5
61.65025	1.9
61.68484	1.7
67.05170	3.7
67.05508	48.5
69.03420	10.1
69.07071	53.9
69.28246	11.3
69.28672	10.6
70.06573	2.1
71.04985	5.8
71.08616	3.6
71.55100	1.8
73.02939	3.0
73.06542	3.3
79.05489	19.8
81.03419	7.1
81.07059	100.0
83.04984	4.9
83.08620	19.1
85.02911	4.5
85.06533	10.6
91.05479	18.3
93.07047	42.5
95.04982	12.0
95.08607	81.4
97.06522	6.1
97.10168	11.1
99.08097	33.3
105.07033	27.7
107.04958	8.4
107.08597	38.0
109.06531	10.8
109.10156	69.8
111.04444	1.8
111.08074	4.4
111.11725	5.7
116.98622	2.5
117.07000	3.9
119.08591	18.8
121.06510	4.1
121.10151	31.0
123.08047	5.4
123.11703	43.0
125.05989	4.6
125.09628	3.9
125.32127	2.1
129.07043	3.4
131.08597	7.2
133.10133	22.6
135.08040	6.9
135.11691	19.4
137.05968	10.4
137.09636	5.7
137.13268	22.6
139.07472	2.9
139.11157	5.1
143.08578	2.3
145.02849	3.5
145.06471	2.9
145.10139	8.1
147.08069	3.5
147.11716	13.3
149.02295	2.4
149.09628	5.2
149.13271	14.9
151.07526	2.5
151.11200	9.1
153.09262	2.1
153.12750	3.7
157.10149	5.5
157.12291	2.8
159.11743	7.4
159.49605	2.3
161.06010	4.1
161.09622	24.2
161.13263	4.6
163.11176	2.7
163.14825	6.1
165.09081	5.2
165.12718	2.9
167.10689	6.6
169.12260	1.9
171.11708	2.0
175.11183	5.7
175.14844	4.4
177.03236	2.6
177.05531	8.4
177.12775	3.6
177.16386	5.7
179.07054	2.8
179.10669	10.5
181.12241	4.9
187.14763	2.0
189.16469	4.3
191.18019	4.7
193.12248	5.6
193.15933	4.9
195.13844	3.6
203.18021	3.8
217.15913	3.5
231.17580	2.8
235.16962	2.7
245.22641	3.5
249.18610	3.9
259.07571	2.3
259.24203	6.3
263.10648	2.7
269.22903	2.5
273.18512	7.4
277.25391	3.1
287.23599	12.3
291.10223	3.4
291.19568	18.0
305.24759	32.0
323.09131	4.6
323.12830	8.3
323.18411	3.8
323.22244	6.4
323.25812	27.1
324.11145	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
55.01871	0.6
55.05514	8.3
57.03444	3.1
57.07085	4.5
59.04994	1.4
64.35298	0.5
67.05509	36.7
67.94286	0.5
69.03424	2.1
69.07072	18.0
69.54647	4.5
71.04997	5.1
73.02926	1.2
79.05496	4.8
81.03401	0.6
81.07061	39.4
83.04979	1.6
83.08627	9.2
85.06561	3.8
91.05473	3.7
93.07043	9.2
95.04947	2.1
95.08612	27.8
96.09004	0.6
97.06532	2.8
97.10191	3.1
99.04440	1.0
99.08099	2.0
101.06033	1.6
105.07046	6.3
107.08607	10.7
109.02869	0.8
109.06516	2.4
109.10162	100.0
110.10493	1.5
110.52540	0.6
111.08086	2.1
111.11720	1.3
113.09640	0.8
119.08583	5.8
121.06533	1.0
121.10141	7.7
123.08114	1.0
123.11713	13.9
124.07600	1.6
125.09634	2.6
127.11198	14.2
131.08563	0.6
133.10127	3.7
135.11714	3.7
137.09644	2.1
137.13252	2.3
139.11188	2.9
141.12764	0.5
145.10190	0.8
147.11700	3.6
149.13280	5.0
151.11197	1.7
151.14877	3.7
153.12723	0.8
155.10686	7.7
157.10182	0.7
159.11717	1.9
161.13268	2.7
163.11221	1.0
163.14851	1.6
165.12784	2.2
167.14337	1.7
173.11765	4.1
173.13295	1.9
175.14920	1.6
177.12801	1.2
177.16394	0.8
179.14325	2.5
185.13260	0.8
187.14854	1.2
189.16461	1.3
195.13867	1.9
201.16451	1.6
213.16476	0.9
215.17926	0.7
219.17412	0.9
223.16934	0.7
243.21056	0.7
261.00543	0.7
269.22781	0.9
279.23236	0.7
287.23618	2.9
293.24799	1.7
305.24759	22.1
306.25284	0.7
323.25845	31.0
324.26144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2584
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03954	1.7
55.01888	1.2
55.05509	14.8
57.03444	4.9
57.07064	5.0
59.05000	3.4
62.31952	1.2
65.03935	1.5
65.60986	1.2
67.05508	48.7
69.03421	1.9
69.07069	28.1
70.00730	6.5
71.01350	2.9
71.04987	8.2
71.10422	1.2
72.89068	0.9
79.05491	15.5
81.07061	83.9
82.07368	1.8
83.04972	2.7
83.08620	16.0
85.06554	5.9
91.05471	9.6
93.07047	41.5
95.04982	12.7
95.08608	44.7
97.06506	6.9
97.10168	6.3
98.20728	1.9
98.97584	1.3
99.04449	1.2
99.08084	2.4
105.07041	15.6
107.04996	1.3
107.08602	32.0
109.02888	1.6
109.06514	6.9
109.10159	100.0
110.10414	1.2
111.08076	4.1
111.11678	2.8
113.09567	1.1
117.07048	2.6
119.08578	17.1
121.10149	21.2
123.08063	3.6
123.11714	23.1
125.09698	2.8
125.13290	6.7
127.11204	5.4
129.07011	2.3
131.08560	3.8
133.10139	14.5
135.11697	24.8
137.05998	1.5
137.09628	2.9
137.13260	3.9
139.11168	3.1
141.12775	2.0
145.02866	2.4
145.10133	6.2
147.11670	9.6
149.13264	26.5
151.11182	3.5
153.12773	2.7
155.10751	2.0
157.10146	1.9
159.11705	11.7
161.09723	2.5
161.13223	6.7
163.11179	2.2
163.14812	3.2
165.12796	3.7
167.10631	1.3
167.14296	2.1
173.11832	2.7
173.13315	3.2
175.14845	3.7
177.05482	4.7
177.12679	6.3
177.16422	3.7
181.12299	1.4
185.13287	1.5
187.14807	1.4
189.16364	2.5
195.13736	7.4
201.16328	1.7
237.83257	1.2
269.22699	3.2
277.25348	1.8
279.23389	1.2
287.23706	8.1
295.26300	1.2
303.11780	1.4
305.24753	26.4
306.25293	1.6
309.13855	1.1
323.12665	1.6
323.22531	1.7
323.25870	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	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03940	1.6
55.01850	2.3
55.05515	21.4
55.17121	1.8
56.96563	2.3
57.03426	4.3
57.07060	5.9
59.04977	1.5
67.05167	2.5
67.05506	34.1
69.03430	7.9
69.07071	37.3
70.06582	3.2
71.05006	6.5
79.05497	17.9
81.03407	2.5
81.07059	100.0
82.07381	1.4
83.04980	4.4
83.08624	11.0
84.08130	4.1
85.02882	5.9
85.06547	9.0
86.09710	1.6
87.04458	1.8
89.07942	1.4
91.05470	15.9
93.07046	36.3
95.04971	26.6
95.08609	60.0
97.02899	2.1
97.06525	5.9
97.09732	1.2
97.10184	14.2
98.97566	4.9
99.04445	1.6
99.08064	2.6
105.07040	25.8
107.04953	4.1
107.08601	30.2
109.02885	3.1
109.06538	9.5
109.10159	58.3
111.04472	2.4
111.08088	9.6
111.11697	3.2
113.06010	1.5
115.05434	1.6
116.98648	4.4
117.03370	4.4
117.07011	4.2
119.04920	1.5
119.08575	19.0
121.06486	2.9
121.09322	1.8
121.10155	31.3
123.08063	4.9
123.10836	1.6
123.11714	33.4
125.06038	6.4
125.07027	1.3
125.09665	7.4
127.03948	2.1
127.07568	1.9
127.11181	3.2
131.08540	3.8
133.06497	1.8
133.10133	15.9
134.99669	2.2
135.04430	1.5
135.08029	4.0
135.11688	17.4
137.04994	2.6
137.05983	36.3
137.09587	4.2
137.13271	10.5
139.03912	1.8
139.07573	2.1
139.11174	4.9
143.10637	2.1
145.02863	5.6
145.10127	4.9
147.04410	5.4
147.08000	2.3
147.11687	18.4
149.05945	3.6
149.09587	3.3
149.13254	12.1
151.07550	3.5
151.11159	4.0
153.05464	10.3
153.12663	3.1
157.10146	2.7
157.12161	2.2
159.11690	7.9
160.86038	1.5
161.05992	4.2
161.09610	3.5
161.13280	5.8
163.07544	3.5
163.11218	3.0
163.14799	5.6
165.09184	1.8
165.12834	7.5
167.10738	2.6
171.11633	1.9
173.13290	4.0
175.07578	2.3
175.11171	2.0
175.14796	2.7
177.05475	12.5
177.09088	5.3
177.16403	3.5
179.06976	3.7
181.12212	1.8
182.11774	4.9
189.11229	2.1
189.16368	3.3
191.10736	1.9
193.08594	3.0
193.12271	1.6
199.14842	2.0
200.12785	5.1
201.16492	1.6
203.08389	1.8
227.17970	1.5
248.08330	1.9
259.24326	1.5
263.16559	1.4
269.22583	4.3
273.14893	1.6
277.25162	4.4
287.16406	3.8
287.23676	10.7
291.10077	3.3
305.17401	4.9
305.21356	3.9
305.24765	27.1
323.09262	1.9
323.12827	5.5
323.18378	10.8
323.22409	2.9
323.25940	26.3
324.21802	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
55.01880	4.4
55.05515	18.5
56.96563	4.6
57.03443	4.2
57.07068	4.2
59.04996	5.9
64.60284	2.1
67.05510	48.0
69.03440	6.0
69.07074	31.6
70.06590	7.7
70.71959	5.0
70.72325	5.0
71.04986	10.2
72.08121	3.2
79.05495	23.0
81.03426	7.8
81.07064	100.0
81.74663	2.2
83.04988	5.8
83.08618	16.2
85.02899	4.3
85.06578	5.8
87.22347	2.7
89.03920	2.6
91.04993	3.8
91.05474	17.6
93.07052	43.2
94.07368	2.4
95.04979	14.3
95.08619	47.3
97.02904	5.1
97.06533	8.5
97.10175	10.7
98.97626	3.5
99.08118	4.7
105.07034	26.8
107.04971	5.8
107.08590	32.7
109.02869	5.5
109.06565	5.5
109.10162	92.5
110.07215	2.4
111.08105	9.3
111.11742	2.9
116.98655	5.9
117.03378	3.1
117.07059	4.8
119.08588	21.4
121.06533	6.5
121.10152	37.6
123.04477	2.6
123.08108	4.2
123.11721	25.4
125.06017	4.1
125.09626	5.8
127.03867	2.4
127.11220	6.0
129.06927	3.4
130.05032	2.5
131.08575	9.7
133.10173	12.2
135.08092	3.6
135.11716	22.9
137.05978	26.9
137.13297	7.0
138.58493	2.7
139.07617	2.4
139.11192	4.0
145.10204	4.6
147.04424	3.4
147.11708	11.6
149.09630	3.4
149.13228	13.4
151.07558	6.1
151.11156	4.0
155.10719	2.9
157.10027	2.3
159.11697	8.3
161.05980	4.6
161.13274	4.9
163.07558	5.0
163.11214	3.7
165.12807	3.2
165.66222	2.7
173.09691	4.3
173.13219	3.5
175.07588	3.8
177.03397	6.0
177.05507	8.9
177.09140	7.1
177.12772	2.8
179.07150	3.6
189.16371	3.3
191.10593	2.5
195.13846	4.6
263.10800	2.7
265.39709	2.4
287.23697	7.1
288.05988	2.6
291.10147	2.8
305.17664	2.7
305.21399	5.4
305.24799	14.3
323.12817	8.8
323.18481	3.9
323.25406	8.1
324.18008	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	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12734	2.7
55.01873	10.3
55.05513	22.0
55.81803	3.3
56.11472	2.8
57.03426	4.0
59.32456	2.6
67.05508	35.9
69.07069	12.3
79.05500	36.0
79.98836	2.8
81.03430	4.8
81.07064	100.0
83.04977	5.9
83.08635	13.7
85.06536	5.1
91.05465	20.6
93.07070	23.1
95.04974	19.7
95.08602	25.6
97.06544	5.6
97.10171	10.2
99.08074	3.5
105.07037	21.8
107.04945	5.0
107.08619	17.9
109.06535	15.6
109.10185	7.0
111.08082	8.4
117.07027	11.1
119.08596	28.1
121.06545	6.7
121.10134	9.9
123.08019	3.4
123.11736	4.1
125.09676	4.3
129.07042	4.0
131.08583	12.0
133.10147	11.4
134.99680	3.5
135.08081	5.5
135.11717	8.8
137.05998	3.4
137.09630	3.6
143.08629	5.1
145.10124	13.1
147.08084	15.2
147.11649	9.6
149.09657	7.6
157.10167	5.0
159.11707	4.2
161.09633	4.7
161.13277	3.4
163.11227	6.4
165.12811	5.7
171.11667	2.9
178.43488	3.1
189.11295	5.5
189.12833	3.7
201.98958	2.8
210.82173	2.7
223.13350	8.0
241.62555	3.0
249.14938	7.9
249.18529	4.1
273.18445	25.1
277.00876	5.8
283.43433	3.0
291.19580	93.2
292.19962	3.9
305.24689	17.1
318.08997	3.1
323.22278	4.3
323.25778	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	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03936	3.6
55.01874	1.9
55.05510	16.7
57.03424	4.0
57.07064	5.4
59.05013	1.2
67.05507	43.1
69.03413	3.3
69.07065	30.5
70.97594	2.8
71.04992	7.5
71.08592	1.1
71.71827	1.2
75.85677	1.1
79.05492	11.2
81.03391	1.2
81.07057	88.2
82.07381	1.8
83.04984	6.4
83.08620	8.7
85.02871	1.7
85.06536	3.8
88.08675	1.3
91.05479	9.2
93.07045	28.0
95.04987	7.6
95.08607	46.8
97.06553	6.4
97.07066	1.1
97.10165	4.5
99.08080	2.9
105.07034	15.5
107.08598	24.7
109.02872	3.1
109.06554	6.2
109.10157	100.0
110.10471	3.0
111.08092	5.7
111.11707	4.0
119.08578	10.8
121.10142	25.0
123.08080	2.0
123.11709	32.5
125.09640	4.9
125.13219	1.6
127.11192	10.4
131.08545	2.6
133.10139	6.1
135.11736	9.1
137.05940	2.4
137.09596	3.9
137.13239	5.1
139.11176	5.4
143.08485	1.5
145.10072	5.1
147.11684	9.2
149.09619	2.7
149.13261	7.3
151.07509	1.2
151.11206	3.0
151.14807	1.7
153.12746	1.8
155.10664	6.2
157.10155	2.2
159.11670	6.8
159.22542	1.1
161.13271	5.5
163.11163	1.9
163.14838	3.0
165.12738	5.1
167.10687	3.8
167.14328	1.7
173.11716	4.8
173.13242	3.0
175.14813	4.3
177.16403	2.0
181.12189	1.9
187.13394	2.6
187.14870	2.9
189.16333	2.6
195.13918	1.4
201.16373	1.9
213.16447	1.9
219.40295	1.4
231.17494	1.8
269.22647	2.5
287.23703	6.6
293.24860	2.5
305.24768	24.7
306.25107	1.2
323.12317	1.2
323.25833	26.3
324.26089	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84391	6.6
55.01878	13.8
55.05518	39.3
57.03439	10.0
67.05508	65.0
69.03419	10.9
69.07058	29.1
70.19368	11.2
70.19766	19.5
79.05501	51.4
81.07058	88.9
83.04972	24.2
83.08610	18.3
85.06558	10.3
91.05480	54.8
93.07047	68.4
95.04973	26.1
95.08617	46.3
97.06544	14.4
97.10152	7.3
98.20759	8.5
105.07028	49.8
107.04951	13.7
107.08588	60.1
109.06501	20.8
109.10167	62.8
111.04440	9.8
111.08099	13.2
117.07008	13.1
119.08594	20.1
120.96404	6.9
121.06502	16.7
121.10152	27.3
123.08096	10.0
123.11667	17.8
129.06985	9.4
131.08569	17.4
133.06503	14.9
133.10152	80.4
135.08112	11.8
135.11694	13.0
137.06018	7.7
137.09590	9.3
139.07549	15.4
143.08537	14.0
145.10150	13.9
147.08112	12.2
147.11656	17.1
149.09653	13.9
151.11180	97.7
161.09660	19.9
161.13164	9.4
163.11172	10.5
179.10611	14.1
183.13855	21.3
198.30048	7.3
202.07622	7.3
227.17917	8.3
245.18982	16.0
263.20108	22.2
273.18481	52.5
291.19598	100.0
305.21091	18.9
323.22137	43.7
323.25616	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	323.2219
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01624	2.9
55.01865	18.9
55.05514	20.2
56.96572	3.0
57.03434	11.5
57.07074	6.3
63.78991	3.2
67.05503	36.6
69.03411	4.7
69.07072	12.1
69.73740	24.2
71.04961	4.7
72.92310	3.2
79.05490	42.6
81.03422	7.3
81.07063	76.8
83.04979	24.7
83.08615	14.4
85.02911	6.6
85.06549	15.5
87.94212	3.3
91.05473	21.9
93.07051	36.7
95.04992	20.3
95.08626	28.4
97.06538	9.9
97.10172	11.3
98.21475	6.7
105.07037	25.9
107.04967	9.2
107.08586	23.9
109.06523	28.5
109.10172	16.0
111.04443	34.5
111.08112	16.6
113.06017	34.6
116.98602	5.1
117.07035	17.9
119.08585	24.7
121.06524	6.4
121.10162	15.1
123.08089	14.0
123.11601	3.6
123.83366	3.4
125.09622	7.0
129.07050	5.9
131.08559	13.6
133.10158	8.1
134.99690	4.2
135.08037	16.7
135.11711	14.5
136.23912	3.3
137.06018	3.9
137.09563	5.3
139.07503	4.6
143.08568	7.0
145.10158	22.4
147.08072	17.7
147.11679	6.4
149.09581	7.7
153.12764	15.1
157.10089	6.0
161.09631	14.8
163.11183	25.7
165.09148	5.2
171.11707	4.0
173.09679	5.8
175.11191	4.6
180.29813	3.4
181.12227	22.8
189.11208	4.5
191.10612	18.4
197.06293	25.0
209.11720	4.0
227.12816	24.0
249.14737	5.0
255.17488	3.8
258.99921	4.1
273.18515	33.1
277.00851	4.1
287.20084	6.1
291.16483	7.0
291.19562	100.0
305.21140	36.6
323.04825	6.2
323.16653	6.5
323.22253	12.3
323.25595	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	323.2217
Annotation	Decylubiquinone
Peak:m/z	Relative Intensity
53.03935	1.6
55.01859	1.9
55.05267	1.2
55.05511	17.8
59.04990	1.9
60.51732	0.7
60.83039	0.9
65.03922	1.6
67.05503	15.6
68.63193	0.8
69.03432	0.9
69.06715	1.1
69.07060	9.8
69.62580	0.9
70.74038	1.7
70.74422	1.3
71.04981	3.0
72.07375	0.7
73.06223	0.7
73.06554	7.2
73.26989	0.7
79.05058	1.2
79.05492	15.9
81.03403	1.7
81.07059	17.2
83.04973	3.6
83.08611	9.7
85.06522	2.6
91.05480	12.9
93.07044	13.2
95.04974	5.6
95.08617	9.5
97.06535	7.3
97.10155	9.7
99.08073	1.1
105.07029	11.4
107.04948	2.2
107.08588	11.2
109.06493	5.6
109.10182	6.3
111.04436	6.9
111.08080	3.7
113.05981	1.7
117.07005	4.1
119.08577	11.8
121.06519	4.6
121.10155	6.1
123.04412	3.2
123.08063	3.5
123.11712	1.4
124.05264	0.9
125.05988	25.8
125.09623	7.6
127.07492	0.9
128.06223	0.9
129.06996	1.9
131.08556	4.8
133.06474	0.9
133.10112	10.7
135.08054	3.6
135.11670	3.1
137.05978	6.6
137.09592	2.7
139.07550	1.9
141.44659	0.8
143.08551	2.4
145.10130	3.4
147.08026	2.7
147.11694	4.0
149.09602	2.8
151.07552	0.9
151.11238	0.9
153.12668	0.9
157.10106	3.0
159.08011	0.9
159.11656	1.6
161.09619	5.9
161.13322	1.0
163.11200	2.9
165.12749	0.9
171.11644	1.3
175.11182	3.1
177.12791	1.0
179.10657	2.2
189.11188	3.0
189.12704	1.4
193.12256	5.7
203.10658	1.2
205.12349	0.8
207.13867	1.7
221.11830	1.1
223.13351	1.3
227.17934	0.8
235.13289	1.8
239.12859	1.4
245.19095	1.6
253.14352	100.0
254.14571	1.1
261.22177	1.5
273.18533	3.1
291.19580	2.2
305.21112	5.3
305.24457	1.3
323.22174	93.8
324.22430	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	323.1854
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
55.01873	17.8
55.05511	74.5
56.96553	11.9
57.02266	7.8
57.03426	14.7
67.05506	59.7
69.03432	10.7
69.07060	19.0
69.38503	61.5
69.38924	20.1
79.05486	68.3
81.03417	11.6
81.07049	100.0
83.04989	15.8
83.08613	38.1
91.05466	34.8
92.80676	11.0
93.07033	39.6
95.04974	10.9
95.08604	30.7
97.10161	28.0
98.97572	20.6
105.07042	34.6
107.04967	11.5
107.08596	49.1
109.06524	38.1
109.10154	21.8
111.08093	11.9
116.98633	21.5
117.07038	17.0
119.08596	22.2
121.10090	15.2
123.08090	10.9
125.05981	24.6
125.09641	35.5
131.08600	16.6
132.04480	18.9
133.06421	10.4
133.10155	19.2
134.99631	13.5
135.08083	37.6
137.06003	15.1
137.09573	14.2
147.08128	8.5
147.11673	12.5
151.11206	14.7
153.09094	32.8
179.07005	10.2
179.19055	8.3
189.09538	8.8
189.11206	56.1
243.17111	10.3
253.14354	61.5
258.99704	11.3
277.00876	30.7
287.16415	42.7
301.09610	9.8
305.17416	35.2
305.20834	10.3
305.24725	10.7
323.22137	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01866	5.4
55.05518	23.5
56.11622	1.5
57.03417	1.8
62.06097	8.5
67.05503	18.6
69.03432	4.0
69.07068	15.6
70.09469	3.3
70.09882	5.8
79.05498	11.1
81.07059	17.2
83.04989	2.6
83.08617	12.1
85.06525	1.9
91.05489	8.9
93.07047	14.2
95.04954	5.4
95.08624	10.7
97.02917	2.2
97.06543	2.8
97.10170	16.9
98.20789	2.3
105.07049	8.6
107.04939	3.6
107.08607	11.3
109.06549	2.7
109.10162	6.6
111.08080	2.7
116.98637	1.5
117.06996	2.8
119.08568	7.8
120.04230	2.0
120.05679	2.4
121.06535	4.6
121.10153	3.1
123.08056	5.4
125.09621	13.8
129.06984	3.3
131.08580	4.5
133.06445	2.7
133.10132	4.9
135.08031	4.7
135.11661	2.5
137.05988	14.7
137.09618	4.1
145.10187	4.3
147.08064	3.1
151.07545	3.5
153.09108	2.7
157.10150	2.3
159.11758	1.4
161.09659	1.8
163.11171	1.9
164.24240	1.7
175.11198	1.9
203.12871	6.6
204.28152	1.7
223.13274	13.6
237.14835	2.1
255.17519	2.2
273.18433	7.6
291.19556	100.0
292.20004	3.7
305.21097	18.7
305.24786	4.8
323.22000	4.7
323.25531	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	9.5
70.07178	8.5
98.20882	2.2
98.97589	80.0
116.98626	76.9
119.01913	2.5
134.99664	35.2
140.00171	2.0
153.00745	4.2
156.14479	1.5
158.01324	1.8
158.56708	1.7
177.00957	10.4
177.35928	1.6
178.01079	5.9
179.00699	4.8
202.01042	2.1
207.96198	1.9
219.02000	34.1
219.03947	2.3
220.02136	68.2
221.01773	30.8
223.75294	1.7
234.99789	2.0
240.98804	5.3
243.03752	3.6
244.03314	2.1
256.96793	2.2
257.96909	5.1
258.99753	58.1
260.00122	2.7
261.03079	6.5
262.03275	2.7
273.03107	2.0
275.97946	1.8
277.00787	100.0
278.01001	5.8
282.03354	3.0
298.97638	2.6
299.97821	21.0
300.04416	13.6
300.97510	9.2
301.00946	3.3
309.96188	4.2
318.05246	2.8
322.99539	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32293	2.3
70.06601	5.3
70.87570	6.1
73.99544	2.3
84.08142	5.9
86.06076	2.7
91.07368	2.7
97.02926	3.4
137.77992	2.6
152.34308	3.4
160.09798	4.3
161.10051	3.6
175.12009	3.1
183.17165	2.9
199.83287	2.9
249.75742	2.7
323.07443	100.0
323.12021	25.0
323.15454	4.8
323.19342	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0763
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.03937	1.7
55.01871	2.5
55.05515	1.3
65.03940	2.2
67.01855	1.9
67.05508	3.6
68.99788	4.6
69.03419	4.4
70.06591	2.4
71.57547	1.4
72.09837	1.2
72.72506	1.0
79.05497	4.9
81.03422	4.2
81.07037	1.4
83.04978	3.9
85.02879	3.0
86.09718	1.7
89.03922	1.5
91.05494	2.8
93.03394	2.8
95.01304	2.7
95.04973	6.6
95.08640	1.1
97.02903	11.6
97.06540	1.1
97.95152	1.1
98.97588	2.7
99.04454	4.4
105.07026	1.4
107.04974	8.9
109.02890	3.4
111.00844	2.1
111.04453	8.1
113.06025	2.0
115.05498	2.0
116.98666	2.1
117.03387	1.2
121.02866	2.7
121.06491	2.8
122.06001	2.7
123.04426	9.0
124.07612	1.8
127.03935	5.8
128.06215	1.3
131.04927	1.8
132.04475	2.9
133.02853	2.7
134.99635	1.1
135.04414	9.3
137.02365	3.5
137.05991	2.0
139.03905	100.0
140.04210	1.7
140.07040	6.7
141.01767	1.5
145.02895	1.3
145.06512	2.1
147.04456	2.7
149.02342	1.9
149.05952	1.4
151.03897	11.2
153.01837	1.6
153.05476	2.1
155.03407	31.8
156.03810	2.4
159.04446	1.6
161.05960	2.2
163.03897	19.8
164.10765	1.3
165.05496	1.3
166.08611	1.3
167.03392	3.9
167.07109	1.8
168.06569	1.2
169.04919	1.6
173.10742	1.4
177.05499	3.3
179.03398	5.8
181.04977	16.9
185.06021	1.5
187.07565	1.5
190.06075	1.2
191.07120	1.2
192.10242	2.7
193.04982	3.1
194.00748	1.1
201.05540	3.2
203.03299	1.4
203.11790	1.2
210.11282	16.9
212.04727	4.5
213.05521	2.2
215.07133	2.5
217.04993	1.4
219.11205	1.9
225.05475	1.3
227.07121	1.4
231.06548	2.9
240.04230	4.8
241.04846	2.0
243.06564	4.8
245.04512	2.1
259.05984	6.0
259.14453	2.6
261.07544	8.4
263.10291	1.5
269.04462	16.0
270.11255	1.3
277.07175	4.3
287.05539	17.0
287.13901	2.5
296.56134	1.4
305.06744	10.1
305.10178	1.8
305.10867	1.4
305.14951	21.7
306.13278	1.3
323.07504	2.6
323.11267	12.6
323.16049	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	322.2014
Annotation	Croomine
Peak:m/z	Relative Intensity
51.43546	0.5
53.03941	0.7
55.05509	2.8
56.96544	0.5
57.15612	0.5
65.03945	0.5
67.05507	7.1
68.05038	2.5
68.29996	0.6
68.94283	0.5
69.03421	0.9
69.07056	2.5
70.06248	0.7
70.06597	9.2
71.05001	0.7
71.60222	0.9
79.05493	4.2
80.05024	0.8
81.03410	1.0
81.06652	0.6
81.07063	8.0
83.04971	1.2
83.08625	1.1
85.02905	0.7
85.06533	1.6
91.05483	4.1
93.05782	0.6
93.07023	3.1
94.06540	1.0
95.04958	1.7
95.08611	5.1
97.06519	1.0
100.07597	2.0
105.07024	2.9
105.88455	0.6
106.06561	3.2
107.04923	0.6
107.07383	0.7
107.08622	2.6
108.08087	2.1
109.02874	1.5
109.06518	0.9
109.10126	1.6
111.08053	0.7
111.91209	0.5
114.05547	4.9
116.07041	0.7
117.07030	0.9
118.06544	0.8
119.07339	0.8
119.08569	1.9
120.08119	4.0
120.08879	0.8
121.10133	1.8
122.09660	1.3
123.11716	1.4
127.03934	0.7
128.07091	1.8
131.08583	1.0
132.08084	1.0
133.08861	0.6
133.10130	1.1
134.09654	8.6
135.10468	1.3
135.11649	1.0
137.05911	0.9
145.02905	0.6
145.10149	0.6
145.74048	0.5
146.09616	0.8
147.04459	0.7
147.11678	1.3
148.11211	7.9
149.11876	0.6
149.13177	0.8
157.10233	0.5
161.13222	0.6
162.12688	0.5
164.07062	5.9
165.07739	0.5
166.08611	1.2
173.13290	0.8
177.05476	0.9
178.05814	0.6
178.08557	2.8
179.09396	0.8
180.10214	12.2
193.10960	1.0
194.08186	1.0
258.18564	2.2
276.19604	8.4
291.10178	0.6
302.17340	1.3
304.19101	15.4
304.22714	0.8
305.24756	0.9
322.20129	100.0
323.12744	0.8
323.20734	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	322.1287
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
53.03940	1.5
55.01862	1.7
55.09638	1.0
56.96547	2.2
57.03417	3.4
59.04966	1.1
61.02912	4.3
65.03919	1.3
67.01837	1.2
67.05493	2.0
67.48261	0.9
68.99773	3.2
69.03084	1.0
69.03426	12.3
70.06598	1.9
70.10612	4.6
71.01398	1.0
71.04981	1.6
73.02898	4.7
79.05489	2.3
81.03416	4.9
83.04959	4.6
84.04482	1.1
84.08106	1.0
85.02430	1.3
85.02908	16.2
85.06520	1.1
87.04454	3.5
88.04003	1.0
91.05445	0.9
93.03404	1.5
95.04993	4.8
97.02898	10.2
97.06553	1.5
98.97567	3.7
99.04432	2.2
107.04930	3.5
109.02870	3.7
111.04436	3.5
113.06025	1.8
115.05431	2.7
116.37276	1.1
116.98598	3.0
117.07015	1.0
117.64278	1.1
119.01772	1.0
121.02811	1.4
123.04413	9.1
124.07552	1.2
125.02400	1.3
125.05955	1.7
127.03915	6.9
130.06487	3.7
131.07025	3.9
132.04463	17.1
132.08102	8.1
133.04837	2.0
134.99661	1.0
135.04376	2.9
137.02316	1.8
139.03906	50.2
140.04527	4.7
142.05476	1.7
142.06523	25.1
142.08595	2.2
143.01801	1.1
143.07251	8.1
144.08084	14.7
146.99658	1.1
147.04407	1.5
148.03917	1.8
149.02309	1.1
151.03926	5.8
153.01846	1.4
155.03400	31.1
156.03702	3.2
158.06026	3.2
160.07591	76.1
160.09540	8.7
161.07916	3.4
163.03923	8.3
164.02521	1.3
167.03345	2.4
168.04196	2.5
177.05444	1.4
179.03365	3.3
181.04988	6.8
193.04840	1.3
201.05641	1.0
203.03651	1.7
212.04762	2.1
231.06644	1.3
237.02753	5.3
237.97926	2.5
243.06482	2.3
245.04375	1.6
247.04170	1.2
247.06599	1.1
249.39548	1.0
259.06107	2.0
261.07562	2.2
261.97885	1.7
269.04419	6.9
275.68469	1.2
287.05481	7.3
304.05435	1.9
305.06451	2.9
322.12799	100.0
323.07455	1.8
323.13184	5.6
331.07001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
51.02382	1.6
53.03951	9.8
55.05513	14.0
56.96563	3.8
57.03440	3.5
57.07061	5.4
59.04984	1.6
61.03376	1.7
67.05503	26.1
69.03441	14.2
69.07066	21.7
70.06574	3.8
71.05013	8.3
71.60052	2.0
71.60435	1.9
79.05502	16.8
80.19292	1.6
81.03421	76.0
81.07059	67.0
82.03756	1.7
83.05000	9.3
83.08614	9.4
84.08087	2.0
85.02921	2.4
85.06536	4.3
88.19069	1.5
88.72777	1.6
89.03914	6.0
91.05476	10.1
91.34694	1.6
93.07047	36.8
95.04961	9.5
95.08057	2.4
95.08620	33.2
97.02888	3.6
97.06515	5.8
97.10163	6.0
98.65699	1.6
99.04475	4.2
100.11262	2.0
105.07028	19.3
107.08596	29.6
109.02885	22.0
109.06538	9.5
109.09460	3.2
109.10160	52.4
111.08114	4.0
111.11714	1.8
115.05490	1.6
116.98651	3.3
117.03385	28.3
117.06994	4.8
119.08583	16.4
121.06485	4.5
121.10147	31.6
123.08086	4.3
123.11703	25.3
125.09657	3.6
127.03921	4.1
127.11173	2.8
129.06982	2.2
131.08563	5.4
133.10152	14.0
134.37061	1.7
135.04416	2.9
135.08069	5.5
135.11699	13.3
137.05962	3.4
137.09598	6.3
137.13245	3.4
139.11185	5.2
142.24091	1.6
145.02853	57.1
145.10115	11.9
146.03171	1.9
147.04411	2.1
147.11670	10.6
149.06000	10.3
149.09613	2.9
149.13278	9.2
151.11125	3.4
153.12720	3.5
155.10681	2.8
157.10178	2.8
159.11699	5.9
161.13219	5.0
163.11177	7.0
163.14722	2.0
165.12727	2.9
167.10677	3.1
171.11714	2.3
173.13255	4.1
175.14848	3.9
177.05478	100.0
177.12553	2.3
178.05809	5.4
179.14256	1.6
181.12279	4.2
185.13341	2.5
186.05568	2.8
187.14806	3.4
191.14203	2.0
195.06509	3.3
196.68571	1.9
205.15837	3.1
257.22626	2.3
261.09140	2.2
269.28656	1.7
277.21490	2.7
285.22018	2.0
289.08554	3.6
303.23215	17.9
321.09692	70.2
321.24332	27.8
322.10004	6.4
322.20062	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	321.2427
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03958	4.2
55.01857	2.9
55.05512	25.3
56.96564	7.6
57.03437	3.1
57.07081	6.3
59.04992	4.2
59.79736	2.3
67.05508	44.9
69.03454	6.7
69.07066	37.9
69.26152	25.7
69.26556	5.3
70.06599	8.2
71.04993	9.1
71.92496	2.4
72.08903	2.3
79.05504	25.8
81.03418	10.9
81.07062	100.0
83.04979	14.5
83.08619	7.7
84.08121	3.0
84.51941	2.7
85.02911	4.8
85.06564	10.4
86.09701	2.7
91.05492	20.5
93.07050	55.9
95.04987	16.2
95.08608	58.0
96.85580	2.4
97.06545	9.0
97.10178	7.5
98.19312	2.3
98.20657	5.0
98.97604	8.3
99.08054	4.0
103.05541	3.4
105.07040	32.0
107.04992	3.2
107.07391	4.1
107.08601	36.9
109.02897	4.6
109.06515	10.2
109.10160	55.3
110.97611	4.0
111.08120	6.8
111.11749	3.3
113.09686	3.1
116.98654	7.0
117.03362	3.0
117.07027	5.8
119.08589	26.3
121.02834	2.5
121.06552	6.3
121.10142	56.0
123.08092	7.0
123.11720	49.8
124.07579	6.4
125.09600	7.1
128.98672	5.3
129.07031	4.6
131.08580	9.3
133.10158	15.8
134.99683	6.3
135.08069	5.1
135.11700	21.6
136.07564	13.1
137.06012	5.9
137.09677	13.5
137.13277	4.9
139.11200	13.5
141.12773	3.2
144.38950	2.8
145.02876	5.5
145.10139	13.1
146.99701	7.6
147.04475	3.6
147.08043	3.7
147.10687	3.0
147.11670	17.2
149.05977	4.0
149.09619	7.9
149.13300	9.7
150.90079	2.7
151.11206	4.1
153.12794	4.3
157.10161	5.0
159.11679	13.7
161.01155	3.1
161.09621	4.6
161.13295	8.0
162.05499	5.0
163.11212	8.9
163.14832	4.7
165.12720	4.7
166.05046	2.9
167.07039	5.2
167.10684	10.8
171.11638	4.1
173.13266	8.4
175.11102	3.6
175.14923	3.2
177.00711	3.4
177.05466	16.6
177.12808	4.5
181.12392	3.5
182.04637	2.7
185.13373	3.5
187.14841	6.3
189.09099	5.2
196.06134	2.8
199.14801	3.8
211.14882	3.5
219.10187	8.9
241.19449	3.3
247.16945	2.5
275.23621	3.4
285.22235	8.4
289.11667	2.9
290.09088	14.2
299.09515	7.7
303.13397	14.0
303.23184	26.5
305.05655	3.2
317.73972	2.7
321.10120	6.3
321.14423	4.2
321.20737	4.5
321.24207	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2417
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03937	4.5
55.01854	1.9
55.05511	25.4
56.71819	1.5
57.03419	2.8
57.07061	6.4
59.04989	3.7
59.23188	1.5
67.05172	2.9
67.05507	38.7
67.58839	1.6
69.03417	7.3
69.07065	33.1
70.06582	2.5
71.04974	6.3
71.08621	1.7
71.35467	2.9
71.35802	2.2
79.05493	20.3
81.03419	25.1
81.07057	100.0
83.04974	16.2
83.08639	10.9
85.02937	2.9
85.06546	6.8
89.03892	2.9
91.05473	16.0
93.06473	3.3
93.07046	45.2
95.04964	9.3
95.08608	44.8
97.06519	6.8
97.10147	7.5
99.04402	2.8
99.08086	2.7
100.11258	8.8
105.07034	22.5
107.08600	33.0
109.02882	6.1
109.06532	10.3
109.10162	54.9
111.08052	4.9
111.11713	2.4
117.03339	6.2
117.07036	3.2
119.08583	20.3
121.06493	6.3
121.09307	3.3
121.10149	51.5
123.08057	8.2
123.11710	45.9
124.12009	2.2
125.09595	3.9
127.11163	2.7
131.08559	7.5
133.10135	16.4
135.08064	2.6
135.11693	16.7
137.09579	8.5
137.13321	3.8
139.11197	9.2
141.11555	2.8
141.12645	2.8
143.06322	1.7
143.08601	2.3
145.02815	19.4
145.10143	13.7
147.11713	14.2
149.05954	3.0
149.09636	4.7
149.13229	8.6
151.03874	2.0
151.11200	3.8
153.12726	3.9
155.08427	2.0
155.10558	2.5
157.10191	2.7
159.11661	8.2
161.05898	2.0
161.09628	2.3
161.13315	4.5
163.11203	5.0
163.14732	3.5
165.12753	5.0
167.10672	7.4
171.11589	2.0
173.13251	6.5
175.11179	2.8
175.14810	4.2
177.05464	32.5
177.12747	4.5
178.05820	1.8
181.12242	5.0
182.15364	4.9
187.13232	3.2
187.14801	3.2
191.14215	2.2
198.14685	1.7
199.14882	2.4
199.17928	1.7
201.16493	3.7
204.66447	2.2
205.15773	2.0
209.16432	2.0
210.14905	7.7
211.14775	3.1
218.66280	4.0
222.22192	1.6
227.17682	2.9
240.67471	5.3
267.21121	3.4
275.23621	3.2
285.22137	6.4
303.23203	27.9
321.09753	18.8
321.20709	3.6
321.24258	42.4
322.10211	2.9
322.20145	10.8
322.24533	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	321.2426
Annotation	13-HAA
Peak:m/z	Relative Intensity
53.03945	3.9
55.01873	6.5
55.05524	15.0
57.03415	3.5
57.07069	3.8
60.73783	2.6
67.05507	29.1
69.03441	2.9
69.07074	19.7
71.04986	2.8
71.24423	5.9
79.05496	34.4
81.03430	7.6
81.06577	4.9
81.07059	100.0
82.07433	2.6
83.04980	6.7
83.08613	9.7
91.05475	21.1
93.07041	26.4
95.04970	10.4
95.08603	34.2
97.06527	5.5
97.10178	5.7
97.49915	2.7
103.39629	3.3
105.07031	22.8
107.08614	17.6
109.06525	36.4
109.10178	13.3
117.07072	2.7
119.08588	25.7
121.10158	12.6
121.19525	2.6
123.08076	7.9
123.11707	3.7
131.08580	12.2
133.10126	14.9
135.08012	3.7
135.11681	8.7
137.09605	7.4
137.13275	3.1
141.30580	2.4
143.08524	3.7
145.10120	11.1
147.11714	13.3
149.13231	4.2
153.05371	3.1
159.11682	4.1
161.13261	6.7
173.13315	4.6
175.14729	5.6
193.15869	3.1
200.51091	2.5
203.78078	2.7
204.42297	2.6
221.15370	5.4
257.22519	3.3
275.23685	6.2
285.22064	7.1
303.20004	4.8
303.23193	58.4
304.23529	7.4
321.24353	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	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01869	1.2
56.05045	0.6
56.96572	3.9
57.03420	1.0
60.05650	1.2
61.02927	1.4
69.03429	2.6
70.06593	4.8
70.98120	0.4
71.04975	0.9
71.60234	0.5
72.08157	1.3
73.02912	1.3
75.37479	0.4
77.00926	0.6
81.03422	1.3
82.06552	0.4
82.45293	0.4
83.04990	0.6
84.04504	1.2
84.08155	3.0
85.02910	5.2
85.06576	0.4
86.06081	1.1
87.04456	1.0
88.99137	0.6
90.03777	0.6
91.03950	0.6
95.04960	0.4
96.04498	0.4
96.08125	1.3
97.02903	2.3
98.06049	0.9
98.97584	6.7
99.04453	0.7
100.03967	0.5
100.07645	0.7
101.00904	2.5
103.02428	1.2
109.02879	0.8
110.09687	0.8
110.97572	0.9
111.00810	0.4
111.04368	0.4
112.07593	0.5
112.08754	0.7
112.99083	0.5
113.00896	1.1
114.05591	0.4
114.09163	1.0
115.02444	2.7
115.08662	0.5
116.07086	1.9
116.98614	4.3
117.04002	0.7
119.01926	11.0
120.02100	0.7
121.01675	1.5
122.06030	0.5
127.03943	1.9
128.07140	0.7
128.98602	1.5
129.02238	1.0
129.03954	0.9
130.09746	0.6
131.00191	0.9
131.01906	5.6
133.02545	0.9
133.03485	11.5
134.03616	1.0
134.99678	1.6
135.03178	1.4
135.04997	1.0
137.02995	2.7
138.09193	0.4
140.07106	0.5
141.06555	0.5
142.08655	1.1
143.00203	0.6
143.01892	2.8
145.01706	0.5
145.03470	3.4
145.04756	0.8
145.28596	0.4
145.97664	0.5
146.99635	1.5
147.01430	0.5
147.03253	1.7
147.05084	2.2
149.01253	0.7
149.02946	1.1
150.05428	0.5
151.02690	0.6
151.04562	1.3
155.01912	4.5
157.03539	2.1
158.08112	0.9
158.99649	1.0
159.03320	1.3
159.05043	5.8
159.08563	0.7
160.09718	3.8
161.01575	0.6
161.02956	4.5
163.04503	1.1
165.00755	0.9
165.04259	0.5
168.99896	0.7
169.03471	0.5
170.99750	0.6
171.05031	6.0
173.02966	6.2
173.06645	0.7
174.11252	0.5
175.02914	0.7
175.04491	4.0
175.11925	1.1
176.03688	1.0
177.00734	0.9
177.04378	2.1
177.06082	2.6
179.03999	0.4
180.04579	0.5
183.05051	1.7
185.02939	0.9
185.06567	0.8
187.00879	1.7
187.04565	1.0
189.00771	1.0
189.02432	1.6
189.04524	0.8
189.06067	3.8
191.02328	0.9
191.04007	2.6
195.05367	1.6
195.07161	1.1
197.02919	1.0
197.06650	0.5
199.04515	0.6
201.00818	0.6
201.02666	0.6
201.04366	1.7
201.06117	1.9
203.02310	0.5
203.04100	1.6
203.07607	0.6
205.01984	1.3
211.04483	0.8
213.06117	1.3
215.00436	3.0
215.91702	0.4
219.01727	2.1
219.03635	0.8
219.05310	0.6
219.07201	5.7
221.03073	0.7
221.05087	7.7
223.04793	0.8
223.31946	0.4
229.01936	0.9
231.03548	0.7
231.07191	5.7
231.54944	0.7
233.05156	1.1
233.08691	1.0
233.65585	0.4
237.02808	3.8
245.04967	3.4
245.55246	0.4
247.03014	4.0
255.07172	0.8
259.06601	0.8
261.02496	0.6
261.08279	4.9
262.08633	0.6
263.05966	0.5
265.04059	1.2
273.08240	1.9
279.09283	10.8
280.09296	0.7
289.02115	0.6
321.11710	100.0
321.17532	2.8
322.04465	0.6
322.11545	3.5
322.15924	1.1
339.09500	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79918	0.8
56.60297	0.7
61.90139	0.6
65.63625	0.6
69.62539	3.4
69.62944	1.4
70.06577	3.6
73.92315	0.7
75.77659	0.7
77.57630	0.7
84.04514	0.7
84.08166	3.7
85.02917	0.8
98.21558	1.5
98.97609	1.2
101.00836	1.1
115.08798	1.0
116.07120	2.6
116.98643	0.8
119.01933	2.5
133.03539	1.9
141.06606	2.4
173.02982	1.1
177.00708	1.1
211.66652	0.7
216.08736	0.9
219.03627	0.9
219.07344	0.8
227.10831	0.8
231.07143	1.1
247.03114	1.6
321.11652	100.0
322.12143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37205	0.4
56.96574	2.4
60.05657	2.0
67.05536	0.4
69.03422	1.1
69.97330	2.3
70.06597	9.8
71.05009	0.8
71.06902	0.5
72.08147	1.5
73.08505	0.6
79.21618	0.4
82.06599	0.4
83.04993	0.5
84.04491	1.1
84.08149	10.9
85.02908	1.5
88.03991	0.5
93.07046	0.4
95.06110	0.7
97.02891	0.9
97.07655	1.0
98.06069	0.5
98.97598	3.3
100.07639	0.8
101.00895	0.4
111.05581	1.0
112.08755	0.5
114.05495	0.6
114.09181	1.3
114.10268	2.2
115.08710	3.0
115.10653	0.9
116.07094	3.8
116.98638	2.6
119.01906	2.2
123.05568	1.1
127.03946	0.5
128.07103	2.4
128.98643	1.0
129.10248	2.8
130.05026	0.4
130.08633	1.8
130.09761	1.5
131.01949	0.6
133.03430	1.3
133.09731	0.7
134.99646	1.2
137.02992	0.6
138.05429	0.4
140.98611	0.6
141.06589	2.8
145.03526	1.0
146.99663	0.7
147.04407	1.0
147.11269	2.3
149.13289	0.5
158.09332	0.6
158.99667	0.9
159.05116	0.5
159.06418	0.6
159.07574	1.9
160.09715	4.7
161.01283	1.1
161.02953	0.4
171.05064	0.8
173.03078	0.6
175.11934	0.6
176.03773	0.4
177.00739	1.8
183.04987	0.4
187.00967	0.6
189.00745	0.8
201.00734	1.8
201.02429	0.6
203.04033	0.5
208.09605	0.5
216.08664	2.0
219.01740	1.5
219.03622	1.2
219.07144	0.8
221.05095	0.6
231.07164	1.2
231.11282	0.7
237.02905	1.2
247.03021	0.9
249.08679	0.4
255.07524	0.4
257.15063	0.7
261.02826	1.1
279.03882	0.9
285.14584	0.9
303.09753	0.7
303.13165	0.6
321.11569	100.0
322.11868	4.4
322.14896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.1
57.03438	2.2
57.07074	3.5
67.05511	1.8
69.03434	3.7
69.07052	1.9
70.06598	2.6
71.57631	2.3
72.00547	1.3
72.08177	1.7
79.05473	1.8
81.03366	1.6
81.07072	1.8
83.01346	2.6
83.04967	1.8
84.04494	1.8
85.02913	5.4
85.52448	1.1
90.94839	2.4
91.05487	2.5
93.07018	1.8
94.06592	2.7
95.04980	4.4
96.04475	1.3
97.02882	3.0
98.97592	4.1
107.04964	18.9
108.08164	1.8
108.95867	2.0
109.06536	1.4
111.04459	1.6
112.04009	2.0
113.05962	1.7
114.05539	12.2
116.98626	2.6
120.08139	1.9
121.02873	3.1
122.06056	2.8
123.04432	4.1
127.03929	3.0
128.98608	1.6
132.04449	8.1
132.95828	3.4
134.99637	1.6
135.04433	10.1
135.08099	1.4
136.03900	1.8
137.02351	33.9
137.03380	2.0
137.05997	4.6
138.05493	11.0
138.09114	1.6
139.03931	6.5
140.07079	8.2
144.08150	1.8
145.02892	1.5
147.04448	3.6
148.03958	15.0
148.95349	2.9
149.02345	4.2
150.96922	11.0
150.99156	4.2
151.03909	5.8
153.01845	3.2
153.05484	3.6
154.08633	2.3
156.16144	1.3
160.07655	1.4
161.01196	1.8
162.05540	5.0
162.09210	6.1
163.03871	11.7
164.03444	2.7
164.07089	4.0
166.05040	3.3
166.96474	1.8
169.00230	2.1
172.03984	3.2
173.03473	2.8
174.05569	2.5
176.03468	6.3
177.00797	2.2
178.05067	1.7
180.10217	6.3
182.08163	3.8
189.04237	1.6
190.04991	13.0
190.08647	2.2
190.96423	3.3
192.02989	4.6
192.28448	1.4
194.04639	1.3
200.03484	3.1
201.09697	1.4
202.05052	2.7
208.09709	17.3
208.97629	1.9
210.11246	3.3
217.01601	2.2
218.04486	23.4
219.01727	2.8
219.04105	1.6
220.06024	2.1
222.03993	10.3
230.04543	1.8
232.06018	2.3
235.02522	2.6
237.02858	4.9
238.03503	9.7
246.04002	100.0
247.03867	4.7
247.06351	2.2
248.05565	4.7
250.72890	1.6
257.13049	1.6
258.04016	2.8
258.11105	1.6
263.04324	1.4
264.05145	4.0
267.11307	6.0
273.05112	4.1
275.05563	4.0
276.05063	24.1
285.12399	8.7
286.10706	1.5
294.06107	59.2
295.06400	2.6
303.05563	1.3
303.13382	13.4
304.11713	4.3
321.07095	16.0
321.10312	1.1
321.14462	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	320.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02998	4.0
55.05510	1.3
56.07285	0.5
59.30682	0.5
60.05618	0.6
70.06594	27.6
70.83457	1.6
72.08157	45.5
82.41824	0.6
87.51441	0.5
92.92987	0.5
93.07031	0.6
95.05042	0.6
97.07658	28.5
103.89599	0.5
106.16655	0.6
112.08730	10.8
114.10296	100.0
115.10661	1.4
136.03984	1.1
139.03893	1.0
147.04456	0.9
153.05469	1.1
153.06601	1.2
168.14055	0.6
188.06921	0.6
207.11322	1.1
211.20541	0.6
217.09781	1.3
223.72827	0.6
249.13481	20.0
276.14545	7.5
320.13489	0.7
321.14328	0.9
323.46103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0607
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
50.68262	0.8
53.03952	1.1
55.01865	1.9
55.05521	1.2
56.96555	1.1
65.03945	3.1
67.05491	2.7
68.93208	1.0
68.99807	3.7
69.03428	3.1
69.07066	1.6
70.06596	6.2
71.04992	2.2
71.15022	2.6
72.08183	1.1
79.05503	2.1
79.46483	1.1
81.03425	4.2
81.07059	2.5
82.51121	0.9
83.04996	1.8
84.08151	1.1
85.02913	3.2
85.06485	1.2
86.06108	1.2
87.10611	1.0
91.05489	2.0
93.03399	2.6
93.07061	2.1
95.04976	2.9
95.08614	2.2
97.02896	2.4
99.04507	1.1
103.05467	1.1
105.07034	2.2
107.04950	2.3
107.08611	2.2
108.08913	1.7
109.02891	2.3
111.00847	2.4
111.04456	14.8
117.07034	2.2
119.08591	1.2
120.08121	1.3
121.02871	10.2
121.06525	1.4
121.10205	1.1
123.04412	2.4
125.02216	1.0
125.09631	1.4
127.03905	4.6
128.08197	1.2
130.05043	1.8
131.04956	2.1
131.08572	1.2
133.02814	1.8
133.10190	1.0
135.04420	3.3
135.08060	2.4
136.08392	2.4
137.02292	1.3
137.06036	1.4
138.03130	2.1
139.03908	68.4
145.02841	1.3
145.06488	3.1
145.10138	1.2
146.06029	1.4
147.04424	3.8
149.02350	64.1
149.05998	2.2
150.03146	7.1
151.03970	4.6
151.07645	1.1
153.01840	100.0
153.05467	44.6
153.09204	1.2
154.02246	1.8
154.09479	3.1
155.04872	1.6
159.04486	1.4
159.07910	1.2
160.11209	1.0
161.05954	1.1
163.03906	8.3
165.01935	1.2
165.05457	1.5
167.03395	13.8
167.07114	1.5
171.02815	1.0
171.10190	2.1
172.10510	3.9
173.05927	6.1
174.08809	3.0
176.04797	0.9
177.01862	1.7
177.05510	3.2
179.03461	1.2
179.07065	1.1
183.04466	3.5
183.06464	1.9
186.01396	1.0
187.12376	1.2
189.05672	1.0
189.25177	1.2
191.03442	1.5
192.13902	1.1
195.02919	20.5
195.06598	2.5
201.05476	9.3
205.04950	1.6
209.08141	2.1
213.05453	1.1
215.11743	1.5
218.23672	0.9
219.02913	6.9
219.06462	1.3
229.04961	18.1
231.06596	1.0
232.09529	0.9
233.04398	1.4
242.11226	1.3
247.06041	29.8
256.75198	1.0
257.04514	6.9
261.03809	1.1
261.12363	3.6
274.04803	1.6
275.05502	61.2
276.05920	1.7
277.07147	2.7
285.03891	1.3
286.10184	2.9
303.05014	20.7
303.13400	1.5
321.06042	15.6
321.09665	1.5
321.15073	3.8
321.18301	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	320.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61919	1.1
53.03939	1.4
55.01867	1.4
56.05032	3.4
56.96571	6.0
57.03419	2.7
60.04537	1.4
61.02922	3.3
67.05502	1.3
69.03432	8.6
69.07075	6.9
69.87073	2.1
69.87489	4.2
70.06593	39.7
71.04994	3.7
72.08159	10.5
73.02919	2.1
75.72731	1.1
79.05471	1.9
81.03419	4.9
83.04975	2.4
84.04507	2.3
84.08157	1.4
84.96034	1.5
85.02421	1.8
85.02911	23.9
85.06583	1.3
86.09695	1.7
88.04015	1.8
91.03944	1.2
91.05452	1.1
93.07022	1.3
94.06580	1.2
95.04961	1.9
96.04512	1.7
97.02896	8.1
97.06570	1.3
97.07658	5.7
98.97577	11.9
99.04472	1.9
100.07598	1.2
103.03953	1.2
107.04932	1.5
108.40302	1.2
109.02150	1.1
109.02881	29.2
110.07186	1.5
110.97597	2.1
112.07613	20.1
112.08750	3.0
114.05530	3.3
114.10299	19.9
115.08670	7.0
116.07092	9.3
116.98638	9.8
123.04430	100.0
124.04781	2.5
124.07662	1.3
127.03933	7.3
128.98607	3.1
132.04466	4.8
134.99625	5.4
137.02354	1.4
138.09149	1.8
139.03897	3.5
140.07068	13.2
141.05473	44.0
144.95900	1.2
145.04968	7.4
146.99667	4.9
147.04439	2.2
149.01237	1.7
152.98686	1.2
153.00723	1.4
156.06554	2.7
157.06818	1.3
158.06885	2.8
158.08136	34.2
158.99669	3.3
161.01266	2.0
170.99736	2.9
173.12891	2.0
177.00723	5.3
177.02112	1.9
177.04245	1.2
180.08591	2.6
182.57249	1.2
186.07651	3.7
201.00685	1.9
219.01823	5.0
234.99022	3.7
237.02817	9.1
249.13510	3.3
257.15009	1.5
258.13300	1.3
260.04514	1.4
276.14517	2.2
279.04517	1.7
279.07532	16.7
285.70618	1.3
297.08670	3.2
302.09274	1.5
306.43921	1.4
310.50677	1.3
320.13205	3.5
321.08475	7.2
321.10959	1.5
321.11771	2.8
321.16666	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	319.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
58.78248	0.3
60.87214	0.2
65.03963	0.4
67.02352	0.2
68.99796	2.2
69.82999	0.2
70.74004	0.6
70.74376	0.5
79.01857	0.3
80.22822	0.2
81.03401	0.3
105.07053	0.2
107.72941	0.2
109.02883	1.7
111.00796	3.3
111.04474	0.7
121.02856	0.3
123.04412	0.3
125.02382	0.3
126.03127	0.4
127.03922	0.6
133.02882	0.3
133.06487	0.3
137.02342	2.8
139.03882	0.5
147.04405	0.3
149.02356	0.5
153.01839	15.6
153.05408	0.4
161.05952	0.5
165.01859	4.7
166.02580	0.7
171.04454	0.5
175.03954	0.3
177.05479	0.7
179.03383	2.0
183.02930	1.7
189.05444	1.2
191.03384	0.3
193.05098	0.4
195.02876	1.1
199.03908	0.7
203.03366	0.8
217.04990	6.3
219.03006	0.3
221.04559	0.8
227.03424	0.7
229.04955	0.3
231.02908	0.4
232.03706	0.3
235.02403	0.4
235.06116	0.6
244.03551	0.5
245.04471	6.6
249.04074	0.2
255.02931	0.9
263.05502	1.2
272.03302	0.4
273.03949	6.2
290.04120	1.5
291.04886	0.4
301.03412	1.4
319.04507	100.0
320.04950	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	319.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.05510	15.1
56.05032	3.4
56.96576	4.2
57.03440	2.0
67.05503	4.4
68.05044	5.4
68.99818	2.0
69.03443	6.1
69.07075	3.4
70.06594	20.1
71.05005	2.9
71.57682	3.3
72.08161	98.1
73.06561	4.4
79.05494	3.6
81.03433	7.7
81.07053	3.8
82.06596	3.9
83.04996	6.3
83.08619	3.1
84.04509	59.6
84.08119	1.8
85.02917	13.3
90.09193	4.3
91.05514	5.1
93.07071	7.8
94.06559	2.0
95.04956	3.7
95.07410	1.8
95.08616	10.8
96.04517	2.1
96.08113	2.1
97.02898	6.6
97.07660	22.0
98.97634	1.8
99.81538	1.8
102.05539	4.3
102.15251	1.9
105.07040	3.5
107.04954	3.0
107.08584	4.3
108.08148	1.7
109.02925	4.2
109.10215	3.5
110.09688	57.0
111.04465	5.3
112.08736	7.7
114.10300	68.8
116.98637	3.2
118.08674	4.9
119.04954	3.2
119.08611	2.3
121.02855	2.2
121.06555	3.3
121.10198	2.3
123.04419	4.4
126.12821	2.6
127.03940	2.7
131.04941	2.9
132.04524	2.9
132.47839	2.0
133.06647	2.0
133.10150	2.8
135.04433	2.2
135.11746	2.8
137.06027	4.4
137.09738	2.3
138.09149	85.3
139.03906	29.7
145.10121	2.2
147.04395	3.5
147.11694	2.5
149.06009	4.9
151.03915	12.5
151.07512	2.0
152.04684	2.4
153.06697	2.1
156.10205	36.3
157.05064	2.1
157.08623	5.2
163.03888	4.5
165.05537	4.7
166.05075	2.2
166.08649	3.5
167.01761	2.3
167.07111	2.8
174.11273	100.0
176.35605	1.9
177.00743	3.0
177.05540	5.6
180.07825	35.7
181.03215	4.5
181.04913	2.5
183.11336	4.7
191.03404	4.4
195.67732	2.0
197.02754	4.0
202.34570	1.7
203.03558	2.6
209.16661	2.1
213.05762	2.0
223.09270	2.4
229.05305	2.3
229.12025	5.2
237.15962	10.3
249.13464	13.9
255.02986	4.1
255.17232	2.2
261.12961	1.9
265.15588	1.8
276.14682	5.5
283.16541	80.7
301.03400	5.2
301.06821	2.8
301.12213	4.3
301.17642	13.4
301.21341	3.6
319.04480	7.0
319.07999	10.1
319.13126	13.8
319.18692	84.8
319.22147	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	319.0449
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
55.01864	0.4
58.78248	0.3
60.87214	0.2
65.03963	0.4
67.02352	0.2
68.99796	2.2
69.82999	0.2
70.74004	0.6
70.74376	0.5
79.01857	0.3
80.22822	0.2
81.03401	0.3
105.07053	0.2
107.72941	0.2
109.02883	1.7
111.00796	3.3
111.04474	0.7
121.02856	0.3
123.04412	0.3
125.02382	0.3
126.03127	0.4
127.03922	0.6
133.02882	0.3
133.06487	0.3
137.02342	2.8
139.03882	0.5
147.04405	0.3
149.02356	0.5
153.01839	15.6
153.05408	0.4
161.05952	0.5
165.01859	4.7
166.02580	0.7
171.04454	0.5
175.03954	0.3
177.05479	0.7
179.03383	2.0
183.02930	1.7
189.05444	1.2
191.03384	0.3
193.05098	0.4
195.02876	1.1
199.03908	0.7
203.03366	0.8
217.04990	6.3
219.03006	0.3
221.04559	0.8
227.03424	0.7
229.04955	0.3
231.02908	0.4
232.03706	0.3
235.02403	0.4
235.06116	0.6
244.03551	0.5
245.04471	6.6
249.04074	0.2
255.02931	0.9
263.05502	1.2
272.03302	0.4
273.03949	6.2
290.04120	1.5
291.04886	0.4
301.03412	1.4
319.04507	100.0
320.04950	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	319.0448
Annotation	IRIGENOL
Peak:m/z	Relative Intensity
55.01865	0.3
65.03928	0.3
67.01857	0.4
68.99795	2.9
69.03413	0.4
70.70752	0.4
74.78391	0.1
79.01843	0.4
80.79440	0.1
81.03413	0.6
91.05459	0.1
93.03403	0.3
97.02879	0.6
105.03387	0.1
105.07008	0.3
107.01321	0.2
109.02879	2.2
111.00809	4.1
111.04413	0.7
115.05482	0.1
121.02879	0.5
121.06498	0.4
123.04391	0.2
124.01495	0.2
124.07584	0.4
125.02320	0.4
126.03132	0.5
127.03929	0.6
133.02834	0.3
133.06468	0.2
137.01338	0.3
137.02345	3.7
137.03410	0.2
139.03923	0.5
143.03419	0.3
147.04422	0.5
149.02344	0.4
149.06046	0.2
151.03899	0.2
153.01831	19.9
153.05426	0.5
154.02203	0.4
161.02348	0.3
161.05983	0.6
163.03859	0.3
165.01836	5.2
166.02614	0.8
167.03389	0.2
171.04424	0.5
173.06044	0.2
175.03799	0.3
177.05452	0.7
179.03387	2.5
183.02893	1.7
187.03944	0.1
189.01826	0.2
189.05449	2.0
191.03441	0.2
193.01328	0.4
194.02145	0.2
195.02905	1.5
199.03873	0.7
200.04652	0.1
201.05528	0.1
203.03354	1.0
205.05014	0.1
207.02910	0.6
207.63857	0.1
209.04443	0.3
216.04158	0.2
217.04976	6.8
218.05296	0.2
219.02911	0.5
221.04482	0.5
227.03438	0.6
229.04996	0.5
231.02878	0.4
232.03654	0.5
235.02370	0.4
235.05989	0.6
239.01811	0.3
244.03682	0.5
245.04468	8.1
246.04861	0.3
251.26926	0.1
255.02939	0.9
263.05484	1.0
272.03058	0.3
273.03928	7.3
274.04337	0.4
283.02505	0.2
283.16812	0.1
290.04248	1.8
291.04721	0.3
301.03442	1.5
319.04489	100.0
320.04822	3.8
320.07846	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.9
56.96561	0.9
57.03433	1.4
59.21969	0.6
61.02927	1.0
67.05490	1.1
69.03430	4.2
69.07058	1.9
70.06594	1.0
70.57485	2.0
72.08128	0.8
79.05500	0.9
81.03425	2.1
81.07063	2.1
83.04976	2.1
83.08630	0.8
84.04525	0.8
85.02914	10.0
85.06536	1.0
86.09701	1.5
87.04472	0.8
91.03951	0.9
91.05483	0.9
93.07040	2.4
95.04947	0.7
95.08602	2.4
96.04493	2.7
96.08125	1.4
97.02877	2.8
97.05257	1.6
97.06535	2.0
98.97588	1.7
107.08587	1.7
109.02860	1.6
109.06528	1.3
109.10147	1.1
110.06054	4.2
110.09723	3.3
111.04459	0.8
116.98604	1.3
119.63449	0.6
120.08116	1.0
121.06503	1.6
121.10150	1.5
122.10640	0.5
124.07605	0.7
125.08358	0.6
125.09659	0.6
126.09162	8.8
127.03915	2.6
137.05972	1.0
138.09143	19.8
139.03923	0.8
139.07555	1.2
145.01610	0.8
145.04982	2.4
145.12328	0.6
150.41945	0.6
151.11176	0.8
153.05554	0.6
156.10208	100.0
157.10532	2.5
158.99638	1.0
159.11406	0.7
163.02762	2.3
167.14319	0.8
173.13174	0.7
177.00740	2.4
181.03912	1.4
192.41847	0.6
205.05435	1.1
209.15381	1.0
222.11513	0.6
223.09135	0.8
229.03851	0.8
232.09666	1.4
247.04926	2.7
289.05920	1.5
301.11880	2.3
307.07065	1.9
309.12833	1.1
318.15747	4.0
318.21399	1.9
319.07767	0.9
319.12863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01862	1.0
56.96550	1.5
57.03426	2.4
61.02928	3.7
65.03941	0.8
67.05489	1.5
68.05016	1.8
68.91389	0.5
68.99799	0.5
69.03085	0.7
69.03432	10.9
70.06596	0.9
71.04985	1.1
71.49589	0.6
72.04504	1.6
72.93814	0.6
73.02917	2.2
76.03291	0.6
81.03424	4.0
83.04958	0.6
84.04465	0.5
85.02907	23.8
86.09691	1.7
87.04466	2.2
90.94845	0.7
91.03949	0.8
96.04493	25.8
97.02894	8.1
98.97570	2.4
99.04454	1.1
107.04982	0.6
109.02882	2.6
111.04448	7.1
114.05522	2.2
116.98640	1.3
120.04400	0.8
123.04427	1.5
124.04756	0.6
127.03930	4.9
128.98561	0.8
132.04443	1.4
138.05504	35.6
139.03902	10.7
139.06241	0.8
140.04288	0.8
140.07039	0.7
144.95787	0.6
145.05000	3.4
156.06560	100.0
157.05020	1.0
157.06906	1.7
157.97714	0.6
158.97389	1.3
161.04665	0.7
166.05127	0.6
171.06552	3.6
176.98395	0.6
177.00719	0.8
180.06566	2.1
198.07698	0.9
216.98048	0.8
217.03838	0.8
219.01779	1.0
233.06827	0.7
233.99438	1.2
234.07297	0.8
234.98981	5.6
237.02844	2.6
237.06952	1.0
253.00183	0.9
276.10776	0.8
287.31735	0.6
300.10776	0.8
301.03696	1.8
303.07471	0.7
318.11868	26.0
318.21539	1.3
319.12921	0.7
321.08484	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	317.2114
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03944	1.4
55.01867	2.7
55.05304	1.2
55.05516	13.6
56.96556	1.7
57.07082	6.1
57.07303	1.0
59.04985	4.3
60.04531	11.9
61.04864	1.4
65.03931	2.0
65.06381	1.2
67.05506	45.7
69.03423	4.5
69.07077	10.3
69.85274	3.0
69.85691	5.3
70.06590	3.9
71.04978	2.3
71.93158	1.3
79.05490	8.4
81.03423	1.6
81.07060	26.8
83.04984	3.3
83.08604	3.8
85.02948	1.3
85.06535	3.6
87.04440	1.3
88.07625	4.1
91.05485	14.9
93.07048	18.6
95.04978	21.6
95.08609	26.1
97.02911	1.5
97.06508	7.6
98.21487	1.6
102.09162	2.6
105.07033	15.4
107.07867	2.2
107.08601	40.9
109.06532	16.5
109.10163	68.7
111.04442	4.9
111.08081	3.9
117.07000	5.2
119.08585	49.8
120.08910	1.6
121.06507	5.4
121.10145	12.0
122.07266	1.6
122.10387	1.2
123.04467	1.8
123.08086	17.2
123.11704	2.4
125.05991	2.3
125.09627	1.6
129.07045	2.1
130.07811	1.3
131.08574	8.6
133.06520	1.8
133.10130	12.7
135.08058	10.4
135.11687	3.8
137.05969	2.4
137.09628	56.2
137.13246	2.1
138.10007	1.4
139.07587	1.8
142.07802	2.0
143.08557	4.1
145.10149	11.9
147.08061	5.5
147.11639	6.2
148.71149	1.2
149.09630	3.5
149.13371	1.3
151.07547	45.3
151.11182	2.8
153.05486	4.4
153.09074	1.6
155.08575	2.8
156.09337	1.9
157.10165	3.9
159.08086	2.6
159.11694	7.4
161.09639	7.1
161.13260	4.7
163.07603	1.6
163.11165	4.5
163.14864	2.1
165.06963	1.2
165.09114	4.8
165.95964	1.1
166.09613	1.1
167.07123	2.1
169.10133	1.9
171.11678	5.3
173.09624	2.3
173.13245	5.5
175.11255	2.0
177.09126	3.1
177.12737	2.0
179.10622	2.0
179.14474	1.5
181.08684	6.5
181.10052	1.5
181.12289	2.9
183.11662	2.9
185.13258	2.5
187.11197	3.1
189.12727	19.7
189.16275	1.4
191.10701	2.2
197.13257	2.9
199.11218	2.2
199.14928	1.4
201.12788	1.9
203.14343	2.0
205.12071	1.4
207.13763	17.0
213.16284	1.9
215.14265	3.1
217.12259	2.4
219.13799	2.6
221.15385	4.0
225.12805	2.3
229.12279	2.6
233.15367	3.5
237.05875	1.1
237.14946	4.2
239.14313	1.6
243.13794	8.5
253.11176	1.4
253.19658	1.9
256.26431	8.7
257.18942	2.9
259.16904	2.0
261.14853	4.1
271.12262	1.9
272.20233	1.3
273.06393	1.2
275.20029	2.7
281.18948	6.0
281.26730	1.9
299.20071	19.8
299.27652	1.5
302.06900	3.5
317.06223	2.3
317.09293	4.0
317.21140	100.0
317.28833	9.7
318.13361	1.9
318.21634	7.0
318.30078	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	317.1021
Annotation	2,3,4,5-Tetramethoxyxanthone
Peak:m/z	Relative Intensity
53.03940	0.5
55.05501	0.6
55.45870	0.3
57.07063	0.3
61.04722	0.3
65.03954	0.4
67.05490	1.1
69.03421	1.1
69.07060	0.9
69.60653	1.4
69.61068	0.7
79.05499	1.4
81.07069	1.5
83.04977	0.3
83.08580	0.3
91.05480	1.3
93.07035	1.2
95.04967	1.5
95.08622	1.4
97.06554	0.6
98.20818	0.4
103.05462	0.8
105.03391	4.9
105.07014	2.4
107.04930	0.8
107.08596	1.0
109.02852	0.3
109.06506	0.8
109.10165	1.3
111.04424	0.7
117.07038	0.4
118.53902	0.3
119.04929	0.9
119.08594	1.2
121.06534	0.4
121.10145	0.7
123.04439	0.6
123.08091	0.6
125.02386	0.3
129.07024	0.4
131.04932	0.9
131.08449	0.4
133.06503	1.0
133.10124	1.2
137.05945	0.4
137.09622	0.9
143.08601	0.7
145.06555	0.3
145.10123	0.8
147.11685	0.4
151.03931	0.8
151.11128	0.3
159.04440	0.5
159.11670	0.8
161.09624	0.4
161.13257	0.5
163.07568	0.5
167.03416	8.6
167.07138	0.4
173.06007	0.8
173.09662	0.4
175.07568	0.3
177.05432	0.7
179.03421	3.6
185.13200	0.3
191.06981	0.4
193.04974	3.2
197.04518	0.6
205.04973	0.6
209.04457	0.6
213.05382	0.4
217.08655	0.6
217.12283	0.3
221.04366	1.5
225.09070	0.4
227.07047	0.7
228.07648	0.5
229.08646	0.5
230.05705	1.4
231.06683	0.3
233.04482	0.6
241.04915	0.5
243.06612	0.4
243.10086	1.4
245.08090	3.3
246.05240	0.4
249.07620	0.6
255.06589	0.6
256.07349	2.9
257.07910	0.8
258.05106	1.5
271.09622	3.1
273.07584	31.9
274.07974	1.7
275.20065	0.4
284.06778	0.8
285.07611	0.6
287.08954	1.9
288.09937	0.6
299.09174	9.3
299.20010	1.3
300.09467	0.5
301.03326	0.6
302.04242	1.5
317.10190	100.0
317.21075	2.8
318.10562	5.1
324.62650	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03944	1.6
55.01858	2.2
55.05514	11.0
57.03423	2.2
57.07066	3.0
59.04983	2.0
59.56661	1.3
60.04528	13.1
60.35775	1.4
61.04840	1.6
63.91217	1.7
65.03913	1.9
67.05178	1.5
67.05507	25.0
69.03413	2.7
69.07066	14.6
70.06596	2.2
71.04987	3.7
71.59755	2.1
73.83122	1.6
78.42432	1.5
79.05509	11.6
81.07065	25.3
83.04971	3.5
83.08624	7.3
85.06549	7.8
88.07623	2.3
91.05489	16.7
93.07054	24.4
95.04965	5.7
95.08612	40.9
97.02876	3.6
97.06535	8.5
97.10142	4.4
105.07034	22.5
107.04935	4.4
107.08601	38.1
109.06503	4.9
109.09453	2.9
109.10160	37.9
111.04439	17.7
111.08102	7.3
117.07040	7.8
119.08588	48.4
121.06480	4.3
121.10158	20.5
123.08047	6.1
123.11706	9.6
125.05978	3.1
126.11790	1.4
129.06941	3.5
131.08562	12.9
133.06458	3.6
133.10132	27.3
135.08057	10.9
135.11682	9.9
137.05972	3.3
137.09621	23.5
137.13257	4.9
139.07542	2.5
141.06990	2.3
143.08582	8.0
145.06400	1.8
145.10135	16.0
147.08006	3.7
147.11696	15.1
149.09593	3.8
149.13220	4.0
151.07544	6.0
151.11214	12.2
155.08543	4.0
156.09346	3.7
157.10118	10.4
159.08054	3.4
159.11687	19.3
161.09598	3.8
161.13254	12.2
163.11176	3.1
163.14828	12.2
165.09114	4.3
169.10112	6.5
170.10866	1.8
171.11723	9.3
173.09592	4.9
173.13312	9.1
175.11143	2.7
175.14780	2.5
177.09184	2.6
177.12741	2.7
179.10643	1.6
183.11667	6.8
185.13260	5.0
187.11183	7.2
187.14822	6.4
189.09125	1.7
189.12802	3.4
189.16341	3.9
191.10567	1.7
193.12248	2.0
195.11684	2.2
197.09625	1.8
197.13301	7.1
199.11183	3.3
199.14777	6.3
201.12704	3.4
201.16383	5.2
203.10690	2.6
203.14415	2.4
205.12268	8.2
205.15814	3.4
207.13728	2.6
211.11194	4.0
211.14842	4.0
213.12936	1.7
213.16385	5.0
215.14281	3.6
215.17859	3.6
217.12332	2.6
219.13811	2.3
219.15701	2.3
225.12720	3.0
225.16312	1.9
227.17961	2.7
229.12239	5.0
229.19458	2.1
231.13564	1.5
233.15468	2.2
239.14323	3.8
239.17929	7.8
243.13771	6.2
245.15286	2.6
253.19588	7.1
255.17439	2.3
256.26303	6.1
257.15472	2.6
257.18961	6.8
259.16855	2.0
261.14804	3.0
271.20667	8.4
273.18372	2.4
275.20099	14.7
281.18997	10.7
299.20099	41.2
299.27472	2.9
300.20236	3.3
300.28180	1.4
301.06107	1.8
302.06992	3.5
317.06219	3.5
317.09219	4.6
317.21063	100.0
317.28595	13.2
318.21527	9.1
318.30048	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	317.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01859	4.0
55.05503	9.2
56.96566	11.0
57.03432	3.5
60.05632	2.0
61.02933	3.3
67.05508	10.2
67.75108	1.6
69.03424	15.0
69.07059	7.9
70.06585	13.0
71.04992	5.1
71.59973	2.9
72.08148	6.0
73.02905	3.6
73.06562	2.6
79.05484	3.8
79.51611	1.9
81.03407	8.4
81.07048	7.4
83.04964	3.2
83.08614	3.2
84.04487	2.7
84.08132	4.7
85.02908	23.1
85.06535	2.7
86.09713	3.2
91.05468	4.4
93.07051	9.4
95.04955	7.3
95.08601	12.3
96.05312	2.1
97.02894	21.7
97.06523	3.4
98.97575	17.9
99.04435	2.3
105.07024	8.7
106.77419	1.8
107.04960	4.8
107.08595	11.0
109.02879	7.6
109.06556	3.0
109.10158	13.1
110.07170	2.4
111.04447	10.4
111.08099	2.8
112.08725	2.2
116.07086	2.2
116.98623	15.2
119.08588	15.0
121.10142	6.4
123.04416	13.2
123.08100	2.2
123.11736	3.1
126.99229	1.8
127.03951	10.5
128.98581	3.5
130.08679	2.1
131.08577	5.1
131.96129	5.7
132.04453	41.5
133.04834	3.4
133.06169	1.8
133.10075	8.7
134.99646	7.9
135.08064	5.0
135.11668	3.6
136.07523	1.7
137.02344	100.0
137.03378	5.0
137.05911	2.5
137.09601	8.1
138.05504	5.2
139.03864	5.2
140.02307	2.3
140.03365	2.8
143.00125	2.1
143.08629	2.7
145.04922	4.3
145.10138	6.6
146.99664	5.7
147.11673	4.9
148.03911	5.1
148.53790	1.7
149.01215	2.3
149.97226	4.2
151.11206	4.1
153.01797	2.5
154.94157	3.9
155.03374	10.4
155.04668	14.2
155.08295	2.6
156.01114	2.8
156.02960	4.5
156.06517	3.5
157.10139	3.0
158.99683	7.3
159.11690	7.0
161.01222	3.8
161.04689	2.5
161.13272	3.7
163.02809	2.1
163.14764	2.2
164.05190	6.9
171.11681	2.5
172.95239	10.4
173.13242	3.2
173.97215	5.3
175.12004	4.0
177.00705	10.6
183.11646	2.4
187.11163	3.4
190.96289	7.0
191.03964	2.3
195.05624	1.9
197.13145	2.8
199.14810	2.4
201.12849	2.5
205.12372	2.0
214.96297	8.5
215.02214	2.1
218.06354	2.5
219.01801	7.9
226.96407	2.4
227.06767	25.7
227.56998	3.6
232.97218	2.4
233.99440	3.0
236.07304	13.1
237.02750	15.8
237.97588	1.9
243.13802	2.9
257.15402	1.9
261.14899	2.4
271.02432	1.8
271.20444	2.0
275.20065	2.7
293.11078	2.1
299.20132	11.5
309.08551	8.2
316.00293	1.9
317.08734	4.9
317.11993	7.8
317.17850	4.1
317.21152	30.0
321.08524	4.5
339.09650	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.05488	1.0
67.05515	2.3
69.03388	0.4
69.07053	2.2
70.99756	1.0
71.00096	0.4
79.05455	1.2
79.64553	0.4
81.03400	0.7
81.07067	2.9
82.02145	0.4
83.04965	0.6
83.08584	0.6
85.02850	0.4
85.06510	0.4
91.05486	0.8
93.07011	1.6
95.04967	0.6
95.08615	3.2
97.06483	0.9
105.07043	1.9
107.08566	1.7
109.02839	1.1
109.06459	0.5
109.10155	3.0
110.03646	2.0
110.80979	0.4
111.04436	0.9
114.10281	0.5
116.32057	0.4
119.08567	2.7
121.02904	0.6
121.10126	0.9
123.04484	0.4
123.11707	1.0
131.04854	0.5
131.08575	0.6
133.10155	2.0
135.08044	0.6
135.11673	0.7
137.01361	0.5
137.02342	4.3
137.05930	0.6
137.09555	1.1
137.13272	0.5
143.08473	0.4
145.10120	1.1
147.04437	0.6
147.11702	0.7
151.11095	0.5
153.01834	2.3
157.10065	0.5
159.11642	1.0
161.13240	0.5
163.07445	0.4
163.14807	0.5
169.10072	0.7
173.13228	0.4
183.08282	0.5
193.01283	0.7
197.13321	0.5
199.14827	0.5
200.04622	2.2
203.03300	0.5
204.04054	0.7
217.04970	0.4
228.04205	5.9
229.04997	3.2
243.06561	0.6
245.04437	2.8
256.03735	0.8
257.04526	2.1
273.04010	1.6
274.04703	8.1
275.19992	0.6
281.24887	1.0
285.04080	2.5
299.20059	1.4
301.03461	22.6
302.04224	72.1
303.04575	1.7
317.06580	100.0
317.21060	4.1
318.06934	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	317.0869
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.95613	1.6
53.03939	4.1
55.01868	4.2
55.05506	5.7
56.96567	19.0
57.03437	5.5
61.02915	5.8
65.03931	2.0
65.54910	1.7
67.05499	7.3
67.75039	2.0
68.89444	1.7
69.03424	21.6
69.07063	9.1
70.06593	19.4
70.78555	5.8
71.05008	3.6
72.08157	3.6
73.02908	4.4
73.06550	5.3
79.05472	4.5
81.03424	11.9
81.07058	8.2
83.04955	2.7
84.04519	3.1
84.08141	7.5
84.96032	2.1
85.02904	32.3
85.06534	3.5
86.09708	5.3
87.04477	3.4
88.04051	1.7
91.05482	4.6
93.07052	7.0
95.04967	10.1
95.08603	11.5
97.02889	27.9
97.06536	3.7
97.07705	1.9
98.97588	27.0
99.04446	5.0
104.04978	1.8
105.07021	7.2
107.04939	2.9
107.08583	9.1
109.02885	6.3
109.10155	10.9
110.97551	3.0
111.04462	8.7
111.08125	2.0
112.08762	2.2
115.00698	2.0
115.03960	1.7
116.98616	18.8
117.07006	2.1
119.04906	1.8
119.08596	12.0
121.10162	5.1
123.04444	20.5
123.08101	2.1
123.11666	2.8
127.03922	15.1
128.02336	3.0
128.04178	2.3
128.98630	5.6
129.07022	2.1
129.10204	2.1
130.04999	1.6
131.00075	1.9
131.03543	2.1
131.08504	2.2
131.96124	2.5
132.04451	52.0
132.05405	3.2
133.01746	1.9
133.04829	3.3
133.10127	6.2
134.99651	9.8
135.08118	3.0
137.02344	100.0
137.03336	3.6
137.05931	3.2
137.09628	4.8
138.02707	2.7
138.05510	4.5
139.03900	13.2
139.11208	2.2
143.08560	2.6
145.01714	2.6
145.04951	7.9
145.10138	4.0
146.04147	3.5
146.38017	1.8
146.99673	6.9
147.03247	3.3
147.04443	2.0
147.07924	1.9
147.11702	3.5
148.03932	4.8
149.97226	2.1
151.03934	2.1
151.11192	3.1
153.01831	3.0
154.94141	2.8
155.03383	9.3
155.04663	27.4
156.01094	2.5
156.02965	3.6
156.06636	2.1
157.10103	2.9
158.99667	11.3
159.11699	3.8
161.01241	4.8
161.02911	2.5
161.13284	2.4
163.02747	2.7
164.05238	11.2
165.04390	3.4
166.05016	2.2
166.55478	3.4
170.05156	2.9
170.99657	2.2
172.95290	7.9
173.13173	2.2
173.97243	3.5
174.99220	1.7
177.00700	16.7
177.04260	4.7
182.03333	2.3
185.13239	2.5
187.11218	2.7
189.00710	2.9
190.96317	5.3
191.02246	2.6
191.03972	2.1
197.13251	1.8
201.00711	3.9
208.95409	1.7
214.96220	8.2
217.12311	1.7
218.06421	3.2
219.01721	13.3
226.96370	2.0
227.06758	48.7
227.56976	5.7
231.01651	1.7
231.96890	3.2
236.07304	29.5
236.57469	6.1
237.02802	17.0
237.16229	2.1
239.17882	2.0
243.13789	2.6
247.58278	2.7
257.19083	3.4
260.04492	2.2
275.19983	4.9
291.07651	2.8
299.20081	5.9
309.08640	18.0
310.08948	2.4
317.08395	15.9
317.12167	9.5
317.17993	6.2
317.21164	29.5
321.08466	7.8
332.09763	1.8
335.06537	4.5
339.09631	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	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01860	0.2
55.05488	0.5
58.45379	0.1
59.04966	0.1
60.26228	0.1
65.03939	0.4
66.01070	0.2
67.05516	0.8
68.99780	0.5
69.03440	0.3
69.07059	0.3
71.25229	0.2
71.25552	0.3
78.01066	0.2
79.05475	0.3
81.03404	0.4
81.07074	0.9
83.08629	0.1
85.02901	0.2
85.06550	0.2
91.05490	0.9
92.02618	1.0
93.03416	0.7
93.07024	0.7
95.01297	0.1
95.04991	0.3
95.08599	1.2
97.06512	0.3
105.07024	0.8
107.08605	0.8
109.02860	0.5
109.06496	0.3
109.10167	1.2
110.03672	1.1
111.08044	0.2
115.05462	0.2
115.87445	0.1
117.07022	0.3
118.47493	0.1
119.04884	0.2
119.08571	1.2
121.02856	0.6
121.10110	0.5
123.08046	0.2
123.11764	0.3
124.01574	0.1
126.03104	0.5
127.03876	0.2
129.06888	0.2
131.08557	0.5
133.06502	0.2
133.10107	0.6
135.08008	0.2
135.11705	0.3
137.02330	3.2
137.06012	0.3
137.09575	0.6
139.03896	0.5
141.07005	0.2
145.06438	0.2
145.10072	0.3
147.11674	0.4
149.02299	0.1
149.13261	0.2
150.03114	0.3
151.03897	0.5
151.11192	0.2
153.01833	6.3
154.02615	0.2
155.04961	0.1
157.10161	0.4
159.11693	0.3
161.05956	0.2
161.13297	0.2
162.03151	0.2
163.03870	0.4
163.07516	0.2
163.14827	0.3
165.01839	0.5
169.10088	0.2
171.04251	0.1
171.11652	0.2
172.05247	0.2
173.05983	0.2
173.09473	0.2
173.13297	0.3
177.05479	0.3
179.03439	0.4
182.07318	0.2
183.11774	0.3
187.03841	0.3
187.11052	0.2
187.14731	0.2
188.04648	0.2
189.05429	0.2
193.01320	0.5
197.13301	0.2
199.14879	0.2
200.04715	1.4
201.05453	1.4
203.03387	0.5
203.06918	0.2
204.04265	0.8
205.04997	0.2
205.15717	0.2
208.33833	0.1
210.01595	0.2
211.11206	0.2
215.03381	0.2
217.04947	1.2
217.12186	0.1
218.05782	0.6
219.02832	0.2
225.09013	0.2
228.04178	5.0
229.04973	5.0
229.08464	0.2
229.16306	0.2
231.02864	0.4
243.06552	0.2
245.04480	2.9
246.05238	1.4
256.03705	0.8
257.04449	4.0
257.19144	0.3
260.03171	0.3
261.07648	0.4
267.06552	0.2
271.05948	0.3
273.03949	1.8
274.04718	7.1
275.20120	0.3
281.18793	0.2
284.03186	0.3
285.03946	3.8
285.11127	0.3
286.04471	0.3
289.07147	0.9
299.09183	0.3
299.20047	0.8
301.03436	15.5
302.04211	52.0
303.04498	1.4
317.06558	100.0
317.21008	2.4
318.03653	0.2
318.06973	2.6
319.28516	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	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05500	0.3
56.96581	0.2
65.03948	0.8
67.01856	0.2
67.05501	0.9
68.99789	0.7
69.03438	0.2
69.07071	0.8
70.74198	0.5
71.04993	0.2
79.05493	0.6
81.03403	0.5
81.07057	1.4
83.04972	0.3
83.08598	0.2
84.08115	0.2
85.02910	0.2
85.06552	0.2
91.05483	4.2
92.02628	2.6
92.05800	0.3
93.03407	2.4
93.07051	1.0
94.04156	0.2
95.04967	0.3
95.08607	1.3
97.02869	0.2
97.06538	0.4
97.10149	0.2
98.97581	0.6
105.07045	0.7
107.04956	0.2
107.08593	1.1
109.02895	0.8
109.06546	0.2
109.10147	1.3
111.00773	0.3
111.04462	0.4
111.08088	0.2
116.98635	0.3
117.07008	0.4
119.08594	1.0
121.02879	1.6
121.06500	0.3
121.10140	0.6
122.03618	0.3
123.04434	0.3
123.08097	0.2
123.11678	0.4
126.03119	0.9
129.06918	0.2
131.04886	0.3
131.08604	0.3
133.10170	0.9
134.99658	0.3
135.04411	0.2
135.08084	0.3
135.11685	0.3
137.02345	0.7
137.05969	0.5
137.09630	0.8
137.13252	0.3
139.03906	1.2
143.08568	0.3
145.02773	0.2
145.06464	0.3
145.10109	0.4
147.04364	0.3
147.11697	0.5
149.02293	0.2
149.13303	0.2
151.03885	1.4
151.07549	0.3
151.11185	0.2
153.01833	15.4
155.04854	0.3
157.10144	0.4
159.04416	0.2
159.11742	0.5
161.01189	0.3
161.05986	0.3
161.09599	0.2
161.13257	0.3
163.03917	0.5
163.07475	0.3
163.14882	0.2
165.01845	1.0
165.09099	0.2
166.02615	0.3
170.02039	0.2
173.06023	0.3
173.13240	0.3
177.05473	0.7
178.02660	0.2
179.03450	0.5
183.02972	0.4
183.11769	0.2
185.13208	0.2
187.03896	0.2
187.14780	0.2
189.05536	0.3
191.03575	0.2
194.02098	0.2
197.06039	0.2
200.04718	0.5
201.05525	1.8
201.16434	0.2
203.03481	1.2
204.04083	0.2
217.04968	2.2
218.05768	1.0
219.02861	0.5
225.09091	0.3
228.04176	3.2
229.04959	7.4
229.12292	0.2
231.02919	1.2
232.03629	0.2
233.04544	0.2
237.02905	0.2
239.03273	0.3
240.90103	0.2
243.06413	0.2
245.04431	3.0
246.05226	3.1
247.24251	0.2
253.08665	0.3
256.03644	0.6
257.04456	5.0
258.05289	0.3
260.03168	0.7
261.07602	0.6
261.15128	0.2
271.06009	0.3
271.20557	0.2
273.03989	3.1
274.04739	6.1
275.05103	0.2
284.03134	0.8
285.03964	7.6
285.10959	0.3
286.04614	0.3
288.06348	0.3
299.09271	0.5
299.20151	0.6
301.03458	0.7
302.04218	22.0
303.04636	0.7
317.06567	100.0
317.21033	2.3
318.03519	0.5
318.06934	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	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03962	0.3
55.01866	0.3
55.05500	0.5
57.03420	0.3
57.94527	0.2
59.14885	0.2
64.71363	0.2
65.03931	0.5
67.05505	1.0
68.99792	0.5
69.03419	0.3
69.07058	0.5
70.06596	0.4
71.12321	0.4
79.05503	0.5
81.03417	0.7
81.07053	1.3
83.08601	0.3
85.02862	0.2
91.05469	0.8
92.02623	2.6
93.03407	2.6
93.07034	0.6
95.04982	0.4
95.08611	1.3
97.06524	0.4
98.97588	0.3
103.05450	0.2
105.07034	0.8
107.04945	0.4
107.08591	1.1
109.02872	0.9
109.06546	0.3
109.10150	1.2
111.00771	0.2
111.04424	0.5
111.08106	0.4
117.07024	0.4
119.08580	1.3
121.02866	1.9
121.06539	0.4
121.10136	0.7
122.03698	0.2
123.04446	0.3
123.08111	0.3
124.05276	0.2
125.66808	0.2
126.03138	1.0
127.03874	0.2
129.06947	0.2
131.08577	0.2
133.10130	0.8
135.08063	0.4
135.11649	0.3
137.02335	0.4
137.05991	0.6
137.09651	0.4
137.13316	0.2
139.03908	1.7
143.08551	0.3
145.10100	0.3
147.11688	0.5
149.69983	0.2
150.03078	0.3
151.03917	1.5
151.11176	0.4
152.67751	0.2
153.01830	14.7
154.02219	0.2
155.04938	0.3
155.76048	0.2
157.10112	0.6
159.11661	0.4
161.05922	0.3
163.03932	0.5
163.07497	0.2
163.14877	0.3
165.01820	1.2
166.02666	0.4
167.03442	0.4
167.06961	0.2
170.02141	0.3
172.05119	0.4
173.06001	0.3
175.07529	0.2
177.05482	0.7
177.09120	0.3
179.03450	0.3
183.02928	0.4
183.04448	0.4
185.13280	0.2
187.04004	0.3
187.14867	0.2
195.29753	0.2
197.13321	0.2
200.04633	0.9
201.05440	1.6
203.03412	1.2
204.04163	0.2
205.05127	0.2
212.04443	0.3
213.05563	0.2
216.25993	0.2
217.04980	2.3
218.05719	1.6
219.02957	1.0
228.04158	3.1
229.04956	7.0
229.12300	0.2
230.05411	0.7
231.02901	0.9
233.04428	0.5
239.03464	0.3
243.02888	0.3
243.06544	0.3
245.04434	2.8
246.05237	3.0
256.03659	0.7
257.04449	4.2
257.18680	0.2
260.03152	0.5
261.03864	0.4
261.07590	0.4
271.06125	0.3
273.03970	2.7
273.07568	1.1
274.04709	6.3
275.05127	0.4
275.19928	0.3
284.03043	0.9
285.03912	7.1
285.11078	0.3
286.04575	0.3
287.01892	0.3
288.06247	0.4
289.03537	0.2
299.09317	0.8
299.20111	0.8
301.03479	1.0
302.04227	19.2
303.04599	0.6
317.06570	100.0
317.20987	2.5
318.03680	2.1
318.06952	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	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01881	0.2
55.05519	0.1
56.96569	0.1
62.18037	0.1
65.03932	0.6
67.05515	0.3
68.99814	0.5
69.07074	0.4
70.06591	0.2
70.83266	0.2
79.05497	0.3
81.03426	0.5
81.07074	0.4
83.04995	0.1
91.05486	0.3
92.02621	2.3
93.03403	2.1
93.03958	0.2
93.07066	0.3
94.04246	0.2
95.01311	0.2
95.04961	0.3
95.08634	0.3
97.02935	0.1
97.06586	0.1
98.97605	0.2
105.03441	0.1
105.07063	0.3
107.04996	0.2
107.08598	0.4
109.02879	1.4
109.06537	0.2
109.10137	0.6
111.00793	0.3
111.04450	0.2
117.06983	0.2
119.08596	0.4
121.02864	1.7
121.06530	0.2
122.03663	0.2
123.04471	0.1
123.08068	0.1
124.05205	0.2
126.03133	1.0
131.04947	0.2
133.10152	0.3
135.04411	0.2
135.81622	0.1
137.02330	0.7
137.05977	0.2
137.09604	0.2
139.03905	1.3
145.06483	0.2
147.04375	0.1
147.11737	0.2
151.03888	1.4
151.04985	0.2
153.01823	13.6
155.04909	0.2
157.10066	0.1
159.07985	0.1
159.11690	0.2
163.03909	0.8
163.71031	0.1
165.01834	0.9
166.02614	0.3
167.03381	0.1
172.05197	0.2
173.06032	0.4
175.07555	0.2
176.04668	0.2
177.05501	0.4
179.03397	0.2
183.02899	0.4
183.04425	0.2
187.03868	0.2
189.05562	0.2
190.02567	0.1
190.06166	0.2
193.12204	0.1
200.04651	0.6
201.05504	1.1
203.03381	1.2
204.04224	0.2
205.04907	0.2
207.06528	0.2
213.05453	0.2
215.03419	0.2
217.04956	2.2
218.05713	1.2
219.02977	0.5
228.04160	3.5
229.04955	6.5
230.05424	0.1
231.02861	1.0
233.04512	0.3
239.03439	0.2
243.06569	0.3
245.04422	3.0
246.05214	2.9
256.03699	0.5
257.04443	4.0
259.02365	0.2
260.03165	0.5
261.03882	0.2
261.07568	0.5
271.05991	0.3
273.03928	2.9
274.04700	6.7
275.05048	0.2
284.03143	0.8
285.03934	6.4
286.04688	0.2
287.01831	0.3
288.06232	0.4
289.03394	0.1
299.09283	0.2
299.20050	0.3
301.03391	2.0
302.04205	22.0
303.04553	0.5
317.06540	100.0
318.03680	0.2
318.06900	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.29211	0.6
55.01882	1.2
55.05513	5.5
56.05035	3.6
56.96577	0.7
57.03418	0.8
57.07082	1.7
59.04988	0.7
60.04528	100.0
61.78479	0.7
63.66919	0.7
67.05506	12.0
69.03451	1.0
69.07067	7.1
70.06597	2.0
70.09812	1.5
70.10221	2.4
71.04966	0.7
71.08616	1.4
72.04517	1.7
73.02946	0.9
74.06085	2.0
79.05499	5.7
80.05000	1.1
81.03431	0.9
81.07063	11.8
82.06568	1.1
82.07419	0.8
83.04998	1.7
83.08621	4.8
85.06577	1.1
86.06071	1.1
87.04466	3.8
88.07645	1.2
90.05570	1.2
91.05490	4.6
92.35459	0.8
93.07052	6.1
94.06573	1.4
95.04980	1.4
95.08608	12.6
96.08147	1.0
97.02914	0.9
97.06532	2.4
97.10165	3.4
102.09201	0.9
105.07033	4.6
107.08586	5.7
109.06566	1.2
109.10150	11.0
109.10832	1.1
110.21245	0.8
111.04456	1.6
111.08094	1.1
111.11787	0.8
117.07014	0.9
119.08595	6.1
121.10156	3.3
123.08089	2.5
123.11732	2.4
124.62299	0.7
131.08621	1.2
133.06511	1.3
133.10144	3.3
135.08054	1.5
135.11707	2.1
136.93916	0.7
137.09630	5.5
137.13309	1.0
143.08600	1.0
145.10110	2.0
147.08142	1.0
147.11723	2.2
151.07556	2.2
151.11189	1.2
155.08597	0.8
157.10147	1.3
159.11690	1.9
161.13304	1.0
163.14909	0.8
171.11731	1.1
173.09642	1.0
173.13222	0.8
185.13342	1.0
187.11198	0.8
187.14845	1.3
189.12779	1.3
194.01227	0.6
207.13779	2.0
215.14288	0.7
230.05244	0.9
234.49161	0.7
238.38628	0.6
243.13878	1.4
245.22772	0.8
250.25418	1.4
256.26407	1.8
257.19019	1.5
258.04889	2.5
262.25317	0.8
263.23734	0.9
268.26260	0.8
272.06473	2.1
273.07043	1.2
275.20035	1.2
280.26370	12.5
281.18961	1.3
298.27444	14.2
299.20001	3.7
299.27899	1.8
300.05914	3.5
301.06662	12.2
302.06851	1.6
316.08975	19.4
316.28488	65.7
317.09613	1.3
317.21152	15.9
317.28903	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	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28660	0.5
55.05510	4.9
55.37974	0.5
56.05034	3.5
57.03438	0.9
57.07079	1.7
60.04527	100.0
61.04844	0.9
65.03947	0.8
67.05505	10.0
68.33523	0.5
69.07076	6.4
70.06598	1.1
70.71187	1.4
71.08628	0.9
72.04528	2.4
74.06074	2.6
79.05495	3.8
80.05039	0.6
81.03427	0.6
81.07062	9.7
82.06598	1.4
83.04952	0.9
83.08616	3.5
85.10191	0.7
86.06065	1.1
87.04491	2.5
90.05577	1.6
91.05471	2.7
93.07042	4.3
95.04980	1.4
95.08611	8.6
97.06541	1.2
97.10178	1.1
105.07039	1.9
107.08591	1.7
109.10139	3.5
110.09657	0.6
112.20329	0.5
117.06969	0.6
119.08595	2.4
121.10152	2.2
123.11731	1.7
133.10120	1.8
135.11693	1.2
137.09605	0.7
137.13251	1.4
144.95940	0.7
147.11655	0.8
189.12755	0.5
212.23759	0.9
250.25291	1.8
256.26450	1.3
258.04715	0.9
262.25366	1.2
268.26398	0.7
272.06497	0.6
280.26382	10.6
284.96756	0.5
298.27405	15.8
300.05896	1.8
301.06631	6.3
316.09067	7.4
316.28470	60.1
317.21133	2.3
317.28836	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	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24706	0.5
53.03951	0.6
56.05019	0.6
56.96566	1.5
57.03428	1.1
60.31703	0.6
61.02937	1.3
62.47268	0.6
66.18124	0.6
67.05503	0.8
68.05016	0.7
68.77209	0.6
69.03432	4.0
69.07082	1.5
70.06596	3.8
70.20564	1.3
70.20973	2.0
71.04988	0.7
72.08138	1.9
73.02894	0.6
79.05471	1.2
80.05008	1.1
81.03420	2.4
81.07056	3.2
82.06577	1.0
83.04974	0.6
84.08140	0.8
85.02911	7.9
86.09707	20.5
87.04475	1.8
88.04025	0.7
91.05476	4.2
93.07056	1.9
94.06568	0.9
95.04975	1.5
96.08137	4.9
97.02910	3.4
98.97595	1.5
99.04449	0.7
107.04933	1.0
108.08119	16.4
108.08858	0.8
109.02891	2.3
109.06536	1.2
110.06068	0.9
116.07096	2.4
116.98608	0.8
117.07043	0.6
118.06542	0.6
119.08585	0.8
123.04429	2.8
123.06835	1.3
124.07605	14.5
126.09212	0.9
127.03921	1.7
128.06177	0.7
132.04472	1.6
136.07574	12.3
137.06001	2.0
139.03935	4.4
144.10220	1.0
145.04982	0.7
151.07594	0.8
154.08636	100.0
155.08989	1.3
156.10179	0.7
161.01151	0.8
163.03966	1.4
165.05463	1.2
166.08676	0.7
173.12952	0.7
177.13408	0.6
178.08656	0.8
196.09691	1.0
199.18094	5.0
201.12384	1.7
201.37213	0.6
203.13913	1.6
213.10422	0.7
220.09727	0.7
227.17464	2.5
264.02310	0.7
270.11346	0.8
271.02463	0.8
287.10257	1.1
289.16290	0.6
299.09177	0.7
301.06870	0.7
316.02783	2.1
316.08600	1.2
316.14078	2.2
316.18381	0.6
317.02972	0.9
317.06445	1.2
317.10333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1048
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
52.77374	0.6
53.03932	0.9
55.05496	0.7
56.96566	0.7
65.85569	0.6
69.03441	1.5
70.06591	3.3
71.05000	1.0
71.58537	0.6
79.05493	0.8
80.23528	0.5
81.03416	1.1
81.07030	0.8
84.04519	0.6
84.08116	0.7
85.02901	1.6
91.05489	0.9
97.02895	2.2
98.97584	0.7
100.18383	0.6
103.05518	0.7
105.07059	1.2
107.04950	1.7
107.08631	1.0
109.02885	1.4
111.04502	1.0
116.07069	0.8
116.98676	0.9
119.05279	0.6
119.08556	0.8
121.02861	1.1
123.04482	0.9
127.03900	1.3
133.06488	1.3
135.04382	0.8
135.08105	1.0
137.05997	1.5
147.04422	1.0
148.03970	1.9
151.04059	0.6
153.01845	2.4
153.05392	2.5
153.07399	0.9
154.08557	0.7
175.11890	1.0
185.04289	1.1
203.05351	0.7
255.03029	1.0
300.06256	3.5
315.10550	100.0
316.10992	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	17.8
55.05494	10.0
57.03424	11.0
57.07070	3.2
67.05499	33.0
69.07058	5.4
70.04568	12.8
70.05001	5.5
71.04982	6.2
71.21593	3.5
77.18167	3.4
79.05481	11.6
80.10456	3.2
81.07066	23.8
82.30820	2.7
83.04979	46.0
83.08611	6.5
85.02943	4.9
91.05471	12.2
93.07048	29.2
95.04975	3.7
95.08595	6.6
97.06528	8.6
99.04430	7.5
99.08107	3.9
105.07037	6.0
107.04951	4.4
107.08611	20.6
108.04121	3.0
109.10183	17.2
111.03693	6.2
111.04436	89.9
111.08085	23.3
115.03915	9.6
117.06989	6.9
119.08558	8.7
121.02852	3.3
121.06506	4.7
121.10139	25.1
129.07103	3.1
131.08553	6.9
133.10127	4.4
135.08011	3.5
135.11676	25.2
145.10126	19.2
147.11673	5.0
153.12741	32.3
163.11174	58.7
169.03513	3.6
173.09619	9.2
181.10748	6.1
181.12228	61.0
182.12642	3.2
182.52997	2.7
191.10672	57.2
209.11714	25.9
222.66226	2.8
227.12793	100.0
229.04982	3.8
241.14268	7.0
257.04443	8.0
271.06030	9.1
272.06802	8.4
283.15472	3.2
299.05444	13.0
300.06290	53.3
315.08618	60.2
315.14532	6.3
315.17987	48.6
315.27841	4.2
316.09033	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	315.0975
Annotation	Dibenzthion
Peak:m/z	Relative Intensity
53.03930	0.3
55.01863	0.6
56.96551	0.6
67.05492	0.8
68.99789	0.7
69.03424	0.3
69.07057	0.5
69.30834	0.2
70.06561	0.4
70.71836	0.8
72.74179	0.2
79.05489	0.3
81.03419	1.4
81.07039	0.6
83.04977	0.4
83.08631	0.5
85.06571	0.2
91.05485	0.4
93.07019	0.7
95.04978	1.2
95.08602	0.4
96.04462	0.6
97.02898	0.3
97.06511	0.6
98.97565	0.9
102.24213	0.2
105.03359	0.3
105.07000	0.5
107.04909	0.3
107.08585	0.5
108.04455	0.5
109.02872	1.2
109.05262	0.4
109.10135	0.3
110.03619	0.4
111.04426	0.5
112.03979	0.6
116.98615	0.7
118.34183	0.2
119.08574	0.4
120.04472	0.7
121.02906	0.5
121.10156	0.2
123.04433	10.4
125.05956	0.7
126.05501	0.4
127.03900	0.5
131.04884	0.4
131.08603	0.3
133.06516	0.6
133.10109	0.5
134.99623	0.2
135.04424	0.7
135.08051	0.4
135.11649	0.3
136.03915	1.0
137.02368	1.3
137.03279	0.3
137.05980	0.3
138.03130	1.5
139.03886	0.4
140.03397	0.3
141.05469	1.0
143.00185	0.3
143.08551	0.3
145.02815	0.4
145.10120	0.3
147.04398	0.4
148.03932	1.5
149.04709	0.4
149.09573	0.3
151.02681	0.4
151.03923	0.5
152.03409	2.4
153.05487	1.6
161.03484	0.5
161.04738	0.6
161.05966	1.0
161.09619	0.7
162.05489	0.5
164.03445	0.5
165.04214	1.0
166.04997	2.0
167.05760	1.1
173.09715	0.3
175.11043	0.2
177.05441	0.9
178.05025	0.9
186.05435	0.3
188.07051	0.4
190.03690	0.7
194.07159	0.4
195.08064	0.7
198.05655	0.2
199.06122	0.3
200.07080	0.5
203.12668	0.3
205.06136	2.6
214.04973	0.3
215.05753	0.3
216.06583	0.7
217.07300	0.3
218.08145	0.2
219.01768	0.3
223.07526	0.4
226.05045	0.4
227.05803	1.1
228.06552	1.1
229.05063	0.3
230.04442	1.8
237.02745	0.6
237.09280	0.3
242.08192	0.6
243.05292	0.8
244.06053	13.6
245.06589	0.7
251.07109	0.5
255.05373	0.7
255.10214	1.2
256.06052	1.0
258.03983	6.9
265.08377	0.3
270.07639	0.7
272.05536	21.1
273.06296	9.0
274.06726	0.4
283.09695	2.1
284.10178	0.4
287.05231	0.2
288.08661	100.0
289.09018	4.2
297.11145	0.3
299.05466	0.8
300.06189	1.5
315.09720	83.7
316.10052	3.7
332.05188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
51.73694	0.1
52.15399	0.2
60.38216	0.2
67.05495	0.3
69.03423	0.5
69.32411	1.2
69.32839	0.6
79.05503	0.3
81.03398	0.4
81.07075	0.4
82.69395	0.2
85.74633	0.2
91.05493	0.5
93.07005	0.2
94.04174	0.7
94.04713	0.2
95.01347	1.0
95.08588	0.2
96.02126	0.4
105.07019	0.2
107.04922	0.2
107.08597	0.2
109.02918	0.4
109.10184	0.2
111.04402	0.2
121.02865	5.9
121.06514	0.2
121.10097	0.3
122.03665	0.4
123.00792	0.2
129.06992	0.2
133.06482	0.5
134.03635	0.4
137.02304	0.3
137.05977	0.4
145.06506	0.3
150.03108	0.3
151.03908	0.4
151.07568	0.3
152.07913	0.2
161.05942	0.3
167.03455	0.5
173.06087	0.4
185.05934	0.4
185.28026	0.2
187.07608	0.3
191.03305	0.2
197.06078	0.2
198.06799	0.3
201.05475	1.4
207.02861	0.3
211.03941	0.3
212.04500	0.2
213.05458	0.8
215.03432	0.5
224.03198	0.7
225.05382	0.3
226.06247	0.5
227.07039	1.0
229.04973	5.5
230.05458	0.3
241.04951	1.0
242.05704	0.5
243.06593	1.2
253.04840	0.3
254.05690	0.3
255.03078	0.2
255.06544	0.6
256.03629	0.3
257.04459	13.9
258.04834	0.6
269.04541	0.6
269.08090	0.6
269.11316	0.2
270.05264	1.2
271.06021	9.6
272.06775	6.8
273.07144	0.3
283.05997	0.5
283.09482	0.4
284.03226	0.5
285.03922	0.2
299.01956	0.4
299.05515	20.4
300.06284	70.6
301.06662	3.9
315.08624	100.0
316.08972	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	315.0863
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
62.09774	0.5
71.11074	1.1
76.26724	0.6
95.01319	1.3
95.93693	0.5
96.02132	0.7
107.26329	0.5
121.02867	5.3
180.08507	0.5
198.06868	0.7
201.05492	0.8
213.05521	1.1
224.03142	0.9
227.07008	0.9
229.04984	6.0
241.05058	0.7
243.06599	1.6
253.13762	0.5
255.06352	0.6
257.04477	13.8
269.04602	0.6
270.05215	0.9
271.06006	8.1
272.06778	5.2
283.06055	0.7
299.05511	18.5
300.06287	62.6
315.08627	100.0
316.08948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
67.05444	0.2
69.03370	0.5
69.07039	0.1
69.82265	0.6
69.82710	0.2
70.21764	0.1
71.04931	0.1
73.02884	0.2
79.05476	0.1
81.03375	0.3
81.07001	0.2
91.05421	0.2
93.06995	0.3
94.04180	0.7
95.01320	1.1
95.04936	0.2
95.08566	0.2
96.02052	0.4
99.00720	0.2
105.06985	0.3
107.04923	0.2
107.08544	0.1
108.02075	0.2
108.34393	0.1
109.02899	0.6
109.10126	0.2
111.04375	0.4
119.08538	0.2
121.02866	6.0
121.06453	0.1
122.03639	0.2
123.00731	0.3
123.04401	0.1
128.01012	0.2
133.06416	0.5
134.03580	0.3
135.07919	0.2
137.02264	0.4
137.05936	0.4
138.06241	0.2
145.06337	0.2
149.02283	0.2
150.03084	0.4
151.03906	0.7
151.07492	0.3
155.03323	0.2
155.04691	0.1
157.06371	0.2
158.07188	0.2
159.04471	0.2
161.06015	0.3
167.03369	0.4
173.05923	0.5
179.03360	0.2
183.04410	0.3
185.05847	0.2
187.03868	0.1
187.07582	0.1
187.21069	0.1
189.09076	0.2
191.03352	0.3
195.07944	0.2
196.05115	0.2
197.05945	0.4
198.06699	0.5
201.05472	1.1
201.09183	0.1
207.02847	0.4
211.03813	0.3
213.05457	0.8
215.03311	0.4
215.06976	0.3
224.03156	0.5
225.05424	0.4
226.06245	0.7
227.07082	1.0
229.04973	5.3
233.04338	0.3
241.04984	0.8
242.05685	0.3
243.06506	1.1
244.07390	0.1
245.48405	0.1
253.04994	0.2
254.05728	0.3
255.02875	0.2
255.06480	0.4
256.03644	0.4
257.04459	14.3
258.04907	0.2
269.04694	0.6
269.08054	0.4
270.05267	0.8
271.06021	9.4
272.06784	7.1
283.06006	0.4
283.09470	0.4
284.03085	0.4
297.11462	0.3
299.05511	20.7
300.06287	78.7
301.06635	1.6
315.08624	100.0
316.08997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.9994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93623	0.4
54.93842	4.5
56.96556	1.3
63.54864	0.4
69.96179	24.3
71.31372	0.6
71.94112	0.5
87.97227	1.8
98.97586	2.3
105.05061	0.4
110.26847	0.4
110.98836	0.4
113.95147	0.6
116.98614	2.3
119.01917	1.7
131.96155	10.7
132.32373	0.3
132.96587	0.4
134.99669	1.6
137.02986	0.5
149.97205	18.6
158.80940	0.3
159.03279	0.5
161.70305	0.4
163.02718	0.4
167.98248	1.5
172.98802	0.7
177.00986	2.3
178.01128	0.9
179.00645	0.6
189.95235	1.4
190.95137	0.4
196.95013	0.6
200.96388	0.4
203.02319	0.7
205.94666	0.7
207.96257	9.3
208.96071	1.7
213.95128	0.5
219.02000	5.3
219.03925	0.5
220.02112	2.6
221.01794	1.5
231.96223	4.2
232.96069	1.0
233.03743	0.4
234.99770	0.4
236.50345	0.3
246.95126	0.4
248.94398	0.6
248.98920	0.8
249.97330	30.4
250.97293	2.0
255.96246	2.8
260.04620	0.7
261.03128	0.7
263.02905	0.4
264.95969	0.5
266.95374	0.8
272.98956	1.2
273.97305	33.9
274.97388	1.1
290.95401	1.3
290.99951	0.8
291.07428	0.4
291.98361	100.0
292.98514	2.5
296.98932	2.1
300.06177	0.9
314.95380	2.6
314.99902	6.1
315.07623	3.2
315.94888	0.6
332.96457	3.0
333.08453	1.6
333.96268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0853
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01867	0.1
56.96564	0.1
57.58171	0.1
60.71625	0.1
60.81871	0.1
65.03954	0.2
69.03445	0.3
69.88091	0.3
69.88509	0.1
74.86425	0.1
79.05483	0.1
81.03407	0.2
81.07066	0.1
91.05471	0.1
93.07057	0.1
94.04191	0.7
95.01333	1.0
96.02107	0.4
98.20770	0.1
98.97559	0.2
99.00800	0.1
105.07011	0.2
107.04942	0.1
108.02144	0.1
109.02882	0.3
111.04427	0.3
116.98623	0.1
117.06974	0.1
119.08588	0.1
119.91044	0.1
121.02865	5.3
122.03655	0.2
123.00778	0.2
123.84773	0.1
128.01051	0.1
128.98651	0.1
131.08554	0.1
133.06467	0.4
134.03642	0.2
135.04437	0.1
137.02341	0.2
143.08546	0.1
149.02342	0.2
150.03114	0.4
151.03911	0.5
155.04948	0.1
157.10132	0.1
158.07228	0.1
159.04356	0.1
161.05939	0.2
167.03407	0.4
168.05644	0.1
169.06456	0.1
173.06030	0.3
179.03389	0.3
183.04385	0.3
185.05998	0.1
186.06697	0.1
187.03873	0.1
196.05179	0.1
197.05992	0.3
198.06702	0.4
201.05484	1.2
207.02872	0.4
211.03883	0.3
212.04684	0.1
213.05472	0.8
215.03404	0.5
215.07002	0.2
216.04234	0.2
217.75169	0.1
218.05675	0.1
222.06836	0.1
223.07541	0.2
224.03107	0.6
224.04948	0.1
225.05467	0.4
226.06197	0.6
227.07008	0.9
229.04961	5.6
230.05397	0.1
231.06541	0.3
233.04457	0.3
239.03313	0.1
240.04120	0.1
240.07726	0.1
241.04959	0.6
242.05753	0.6
243.06564	1.3
244.03831	0.1
244.07330	0.3
253.04958	0.3
254.05841	0.3
255.06474	0.6
255.10303	0.1
256.03619	0.1
257.04453	12.9
258.04831	0.2
259.05923	0.3
265.08566	0.1
269.04440	0.6
270.05194	0.9
271.06021	9.4
272.06790	6.1
273.07294	0.1
283.05984	0.5
283.09628	0.4
284.03268	0.5
285.03864	0.3
285.06757	0.1
287.05502	0.3
297.18472	0.1
299.05515	21.3
300.06281	71.4
301.06625	1.1
302.04156	0.1
315.08612	100.0
316.08939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00770	0.5
55.02992	0.9
55.05512	3.5
56.05032	1.1
57.07066	2.0
58.99583	0.7
64.47030	0.6
67.05479	0.6
69.03429	0.8
69.27596	0.9
69.27931	7.2
70.06595	24.8
72.08158	18.6
79.05477	1.1
81.03428	0.8
81.07050	0.9
81.83949	0.6
82.06561	0.8
83.05030	0.6
84.08134	1.8
85.02921	1.4
86.09708	0.8
87.08112	7.7
91.05469	0.8
93.07059	0.6
96.08121	1.1
97.07664	7.9
98.09690	8.7
98.97574	1.0
100.11247	1.3
107.04954	0.9
108.08128	4.2
108.08755	0.6
109.02865	0.7
110.09692	8.7
112.08732	6.9
114.10297	45.1
115.10607	0.8
118.08865	0.6
122.09682	1.0
123.10444	4.1
127.03909	0.8
133.06496	0.8
135.08063	0.7
137.02271	0.7
137.05945	0.9
140.11826	1.2
142.03217	1.3
151.03905	1.3
152.04268	0.9
152.07059	0.7
152.14345	100.0
153.01883	0.8
153.14726	0.8
162.05618	0.6
169.16991	1.2
177.05313	0.6
181.05006	1.0
194.16579	4.3
195.02890	5.6
196.06612	1.3
211.19182	82.2
212.19531	2.1
255.02966	1.2
255.18193	14.3
265.08600	1.1
270.04352	0.9
287.20761	13.2
298.10593	0.9
314.13968	2.9
315.04990	2.9
315.08453	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.2
55.51907	0.4
57.03151	0.6
57.03437	14.4
57.07077	41.4
63.31604	0.4
67.05506	8.3
69.07064	7.4
70.86581	1.3
71.08633	28.4
79.05482	0.6
81.07056	10.7
83.08617	10.0
85.10183	14.9
86.70822	0.4
89.06035	2.2
93.07054	1.0
95.08611	17.0
97.10163	5.4
99.11725	0.9
103.07568	1.3
109.10162	6.8
111.11731	0.9
113.13235	0.5
116.07000	0.4
117.09171	0.5
123.11708	3.2
130.65001	0.5
137.13281	1.1
148.11861	0.5
151.14867	0.7
221.22630	1.2
239.23668	3.9
257.24759	4.6
269.73608	0.5
275.25626	0.6
298.27414	0.7
313.27365	100.0
314.27643	4.8
319.91644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64770	0.8
55.05511	3.9
56.05046	0.7
56.96576	1.2
57.03429	2.0
57.07067	1.7
67.05508	2.2
68.05024	1.8
69.03414	2.4
69.07084	0.8
70.06598	31.6
71.59829	0.9
71.60194	1.1
72.05631	0.8
72.08160	21.0
79.05477	1.4
80.05022	7.7
81.03409	2.7
81.07034	2.0
83.08604	1.4
84.04500	1.1
84.08135	2.1
85.02904	6.0
86.09700	1.6
87.08103	7.5
88.76444	0.8
91.05470	2.9
93.07053	1.1
94.95930	0.9
95.28889	0.9
96.04488	0.9
96.08134	3.0
97.02871	2.5
97.07662	9.4
98.09684	9.4
98.97575	1.1
100.07626	3.1
105.07043	2.1
106.05065	1.1
107.04995	5.7
107.08556	1.0
108.08132	4.8
109.02910	6.9
109.10097	0.8
110.09695	9.7
112.08735	6.9
114.03749	5.3
114.10298	44.6
116.98586	1.2
119.04945	1.3
121.02843	1.0
121.06526	1.0
123.04409	1.0
123.10492	4.1
124.11229	1.2
127.03925	2.1
128.07088	7.4
129.07050	1.3
131.04904	1.3
133.06485	1.8
134.99663	0.9
137.05968	3.9
138.06346	1.8
140.11821	1.4
142.03238	30.3
142.07733	0.9
143.03491	1.0
147.04433	1.0
149.05989	1.1
151.03894	1.8
151.07541	3.0
152.04295	1.9
152.07930	1.8
152.14355	100.0
153.01791	1.0
153.14658	1.5
161.05959	2.5
163.07666	0.9
165.05583	0.8
167.07047	1.8
169.06482	1.0
170.02713	3.5
171.03052	1.6
181.06509	1.0
188.03761	3.4
189.09052	1.8
190.09404	1.7
194.16571	3.7
195.02914	16.4
196.06503	2.1
198.06746	3.2
208.17395	0.7
211.19189	92.0
212.19380	0.9
222.06784	0.8
223.07347	0.9
226.06244	1.4
227.03459	1.2
249.14876	0.9
254.05884	8.7
255.02956	1.6
255.18164	16.1
257.04501	1.1
269.07980	1.0
271.06076	2.8
281.04480	1.5
282.03928	6.1
283.09589	1.2
286.04630	1.1
287.20807	13.1
297.11383	1.1
298.10739	2.5
299.05505	3.1
300.06305	4.2
314.06912	2.0
314.14551	4.9
314.17517	3.1
315.08658	33.2
315.12262	2.7
322.74066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03941	3.3
55.01859	7.7
55.05511	15.3
57.03440	3.8
57.07080	16.8
67.05228	2.9
67.05511	34.1
69.07079	14.4
70.00444	18.1
71.08633	5.8
79.05507	17.4
81.03406	11.5
81.07056	35.8
83.04977	9.5
83.08625	8.1
85.06533	4.0
85.10185	22.5
91.05483	21.9
93.07057	22.1
95.04973	16.3
95.08614	26.3
97.06547	4.3
97.10153	7.6
99.08068	3.9
101.40087	3.2
105.07055	16.8
107.08606	21.2
109.06526	4.8
109.10151	23.6
113.09640	21.2
119.08559	9.3
121.10168	6.4
123.11703	4.5
129.06999	4.9
133.10135	27.8
134.26440	2.9
135.11694	7.8
137.09656	3.8
145.10127	8.3
147.11684	5.1
149.09569	6.8
151.11182	18.0
153.12775	4.1
154.12881	3.4
163.11134	3.7
165.12743	22.2
167.10492	2.6
169.12190	4.8
226.62128	3.1
231.21208	3.5
259.20609	3.7
277.21643	53.7
278.21881	3.8
295.22705	100.0
296.23035	5.8
313.17471	3.6
313.27203	9.0
314.13898	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03934	13.5
55.01873	38.2
55.05512	76.6
56.96569	15.2
57.03449	17.6
57.07068	34.6
59.09080	8.9
67.05508	92.8
68.02962	9.5
69.03430	12.7
69.07072	81.7
71.08627	30.7
72.58376	11.7
79.05502	41.8
81.07069	89.6
83.04970	23.6
83.08618	36.4
85.10197	16.6
87.26873	10.1
91.05497	49.8
93.07045	72.0
95.04986	33.8
95.08609	56.2
97.06525	24.0
97.10168	38.2
99.08121	16.2
105.07049	51.3
107.08605	49.2
109.06513	16.8
109.10173	44.4
119.08600	44.1
121.10178	32.8
123.08092	16.0
125.09628	25.9
131.08577	22.9
133.10158	44.0
135.08098	9.9
135.11694	19.0
137.09630	19.1
139.11160	56.8
142.07825	14.8
143.08557	13.3
145.10152	33.3
147.11668	9.8
149.13254	19.7
151.11261	15.6
151.72679	9.8
155.08519	11.4
157.10130	16.3
159.11755	15.7
171.11653	19.2
173.09657	12.6
173.13272	16.2
181.12161	10.9
187.14815	11.9
189.11307	12.7
194.11031	12.9
195.11726	11.4
197.13240	9.7
249.22050	12.4
257.12704	10.4
277.21674	81.4
295.22867	100.0
298.10779	32.6
299.11609	10.7
313.17743	75.6
313.21649	51.3
313.27338	52.4
314.13910	79.6
314.17404	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	313.2374
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
53.03951	5.5
55.01871	18.6
55.05508	26.6
57.03431	12.4
57.07072	17.3
59.02441	4.9
62.98739	4.5
63.99963	3.8
67.05509	58.8
67.78065	4.7
68.05820	4.3
69.07072	30.3
69.99586	28.5
71.04999	8.6
71.08632	38.4
79.05495	42.5
81.03426	9.6
81.07066	80.2
83.04989	18.4
83.08638	22.9
83.59316	4.7
85.06566	6.7
85.10210	6.1
90.62908	3.9
91.05497	36.6
93.07040	44.4
95.04978	12.5
95.08617	46.0
97.06524	11.7
97.10186	11.3
98.21385	8.8
99.08095	33.6
105.07056	31.3
107.04929	7.3
107.08595	21.3
109.06497	8.5
109.10155	21.8
111.08074	7.7
119.08590	23.8
121.10152	34.1
123.11710	22.7
127.11184	10.6
133.10164	16.1
135.11708	15.3
135.89935	4.2
137.09642	9.2
139.11191	8.2
141.12787	6.5
145.10121	7.4
147.11703	45.5
149.13258	15.3
151.07571	6.8
151.11206	18.2
157.10178	7.6
161.09534	5.0
161.13266	14.8
161.55949	5.3
161.57439	4.2
163.11237	6.5
165.12779	29.9
179.14346	17.3
183.13860	6.3
220.71579	4.2
226.08549	4.2
229.14378	9.3
241.19595	4.6
259.20593	10.1
277.21661	100.0
295.22726	86.8
298.10773	17.5
299.11456	10.7
313.07059	17.6
313.27347	19.7
314.13892	33.6
316.30347	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03954	2.0
55.05517	7.6
57.07065	3.4
67.05514	9.7
69.07066	8.5
71.04967	2.0
71.05354	4.0
71.05738	1.7
79.05476	6.4
81.03402	6.4
81.07060	9.7
83.04961	2.3
83.08626	3.4
85.10178	8.1
91.05489	4.3
93.07016	5.9
93.73051	1.5
95.04958	6.4
95.08610	5.3
97.10163	3.5
105.07017	4.0
107.08587	6.0
109.10160	5.4
113.09682	7.4
113.10335	1.7
119.08587	2.8
121.10078	1.7
123.11711	1.5
125.09624	3.3
133.10202	3.3
135.11705	2.5
141.67598	1.7
149.09625	2.7
151.11188	3.9
165.12762	13.8
168.74518	1.4
241.45267	1.4
277.21622	29.0
295.22678	100.0
296.23145	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03933	1.4
55.01869	1.6
55.05513	10.4
57.03427	1.4
57.06831	0.5
57.07080	5.8
65.03931	0.5
67.05509	14.5
67.05872	0.7
68.05828	0.3
69.03402	0.9
69.06727	0.6
69.07070	8.7
69.54465	2.5
70.07399	0.3
71.04990	1.7
71.08620	1.0
79.05057	0.6
79.05496	9.1
80.05848	0.3
81.03420	8.5
81.07059	14.9
82.07388	0.9
82.07861	0.3
83.04988	4.5
83.08617	5.4
85.02904	1.3
85.06548	1.5
85.10187	11.3
91.05485	6.4
93.07045	9.5
95.04974	9.3
95.05504	0.3
95.08611	8.6
97.06547	1.7
97.10178	3.5
99.04448	0.4
99.08094	0.9
105.07030	6.3
107.04947	1.3
107.08596	8.4
109.06501	2.8
109.10166	10.1
110.10480	0.3
111.08068	0.9
113.09653	9.0
117.06995	0.9
119.08588	2.8
121.06513	0.5
121.10141	3.5
123.08067	1.4
123.11706	1.9
123.12450	0.3
125.09637	2.1
127.07560	0.5
129.06985	0.8
131.08603	1.9
131.24181	0.3
133.10141	7.0
135.08038	0.8
135.11711	1.3
137.06097	0.4
137.09627	0.4
137.13293	0.4
139.11159	0.5
143.08562	0.9
145.10112	1.3
147.07997	0.4
147.11687	2.2
149.09630	3.0
149.13245	1.0
151.11205	5.2
153.12704	0.9
155.10667	0.3
157.10138	1.0
159.11636	0.4
161.13235	1.2
163.11215	0.8
165.12762	16.2
166.13135	0.7
167.14302	0.7
169.12207	0.8
171.11684	0.7
173.11705	0.5
175.11215	0.8
175.14842	0.6
179.14290	1.7
181.12292	0.6
185.13249	0.4
189.11244	1.1
189.12782	0.5
190.96291	0.4
193.15936	0.4
195.13847	0.5
207.13794	1.1
231.20966	0.3
241.19481	0.4
249.22173	0.7
259.20615	1.4
265.55429	0.3
277.18381	0.5
277.21637	30.3
278.21924	2.8
295.22693	100.0
296.23077	9.2
298.10764	0.6
307.91193	0.4
313.27469	0.7
314.13928	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01868	1.4
55.05508	1.1
57.03423	2.0
57.07064	1.5
61.02910	1.4
62.60363	0.4
65.03949	2.5
66.33582	0.4
67.05512	5.5
69.03432	9.8
69.07074	3.9
70.03779	0.9
70.06576	0.5
70.76524	0.8
70.76865	1.1
71.05006	2.3
71.08624	0.5
73.02907	0.6
74.32247	0.4
74.74814	0.4
79.05479	1.9
81.03417	12.0
81.07062	6.9
83.05000	1.0
83.08631	0.7
85.02427	0.5
85.02908	7.7
87.04451	0.5
91.05488	7.4
93.03396	1.0
93.07026	2.5
95.04970	4.8
95.08644	2.4
97.02901	3.7
97.06498	0.7
98.97565	0.7
99.04465	2.3
103.05470	0.8
105.07021	2.1
107.04952	1.1
107.08590	4.3
108.02108	1.0
109.02888	5.2
109.06495	1.8
109.10162	18.0
110.03712	1.1
111.04449	7.4
111.08121	0.5
113.05978	0.5
114.09186	1.5
115.03877	0.6
117.07009	0.6
119.04958	4.0
119.08569	1.3
120.08139	0.5
121.06524	0.9
121.10147	1.6
122.03663	0.8
123.04456	1.4
123.08106	0.7
123.11707	8.8
125.05997	3.6
127.03924	3.3
128.06215	1.3
129.07030	3.8
131.04932	0.7
131.08572	0.8
133.06490	1.2
133.10138	1.4
135.08063	2.1
135.11729	0.5
136.05215	1.0
136.08401	1.8
137.05986	12.5
139.21765	0.5
141.05461	3.0
145.06534	0.9
147.11711	0.9
149.09644	0.8
151.03917	100.0
151.04988	6.1
151.07533	18.3
151.11188	2.8
152.04266	1.1
157.05402	0.5
157.06442	2.6
161.05978	0.6
161.09682	0.8
163.03941	1.1
163.07515	0.7
165.05600	0.5
165.07004	0.7
167.07137	0.6
167.98552	0.4
169.04985	5.9
169.12245	2.3
174.06818	1.8
175.07590	2.0
175.11183	0.6
177.05597	0.5
179.07051	0.6
181.08606	0.5
189.09132	12.1
192.14662	1.8
193.10168	1.3
210.06889	0.6
211.07451	0.5
221.09685	1.8
225.09143	0.8
227.07130	0.6
238.06305	0.5
249.09154	1.4
253.08672	1.1
253.12349	2.3
257.31445	0.5
269.08063	1.0
270.01627	1.1
277.14359	1.0
281.08344	0.6
281.11835	1.5
284.10272	0.6
285.04001	0.6
295.08142	10.4
295.15491	1.8
313.03513	1.7
313.10605	2.5
313.14005	9.1
313.21289	0.6
328.27475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1646
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
51.81989	2.2
53.00305	5.4
53.03941	5.9
55.01868	8.3
55.05512	29.1
56.96580	3.2
57.03440	24.7
57.07074	4.0
57.66975	2.3
59.05004	5.3
65.03925	4.2
67.05210	3.2
67.05509	31.9
69.03408	11.4
69.07066	12.0
71.04992	3.6
71.58696	4.5
75.78310	2.8
78.67702	2.3
79.05487	25.5
81.03429	20.0
81.07054	51.6
83.01318	2.5
83.04984	7.6
83.08627	17.3
83.35551	2.2
85.02912	49.3
85.06538	3.5
85.07693	3.9
87.04452	3.1
91.05485	64.9
93.07047	28.1
95.04964	15.3
95.08615	19.9
97.02883	19.6
97.06543	6.5
97.10191	3.9
98.97593	2.9
98.98460	7.1
103.05473	5.4
105.07039	41.5
107.04960	16.7
107.08633	14.4
109.02889	17.5
109.06541	7.0
109.10169	21.2
111.04457	6.2
111.08077	7.4
113.01582	4.2
113.02371	89.6
116.22837	2.5
116.98637	2.4
117.07010	5.8
117.53596	2.5
119.04953	4.1
119.08586	20.8
121.06487	17.6
121.10175	6.4
123.04446	8.8
123.08092	2.9
123.11694	14.2
127.03931	6.9
128.06256	5.1
129.05487	15.2
129.06996	3.5
131.04948	4.9
131.08583	7.0
133.06537	9.0
133.10138	100.0
135.08043	4.1
135.11714	6.8
137.05963	12.6
137.09631	3.8
143.08553	11.5
145.06490	5.9
147.04430	4.7
147.08113	2.8
149.06000	3.3
151.03908	34.7
151.05043	3.2
151.07565	11.3
151.11197	47.3
153.05417	2.6
153.09096	5.0
157.10234	2.8
161.05991	4.3
161.09625	51.7
165.09126	4.8
171.08086	10.0
174.06956	2.6
179.10674	70.7
179.12151	4.2
183.37231	2.7
189.09122	21.2
193.12268	5.9
197.11847	2.7
203.53297	2.7
207.10184	36.5
211.13286	23.0
221.11771	3.5
225.09222	4.8
225.11234	28.3
239.12767	15.4
253.08556	5.2
282.06339	2.8
285.11432	4.6
313.03638	4.2
313.11194	22.1
313.16492	95.1
313.27539	5.5
314.03030	3.0
314.13882	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	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01720	2.8
53.03947	4.1
55.01871	3.1
56.96572	8.2
57.03441	6.6
58.08164	3.2
61.02915	10.6
67.05499	4.6
69.03435	17.1
69.07076	21.2
70.06588	9.8
71.04994	7.9
71.60148	5.3
72.08136	3.1
73.02914	5.4
79.05502	3.0
81.03412	11.6
83.04965	2.8
84.08131	3.4
85.02911	100.0
86.09718	4.3
87.08100	7.0
91.03961	10.1
91.05474	6.4
95.04995	13.7
97.02901	30.5
98.97572	5.7
99.04439	7.9
106.89992	2.9
109.02883	12.7
114.50971	3.2
116.98602	6.9
123.04432	27.4
124.07620	6.4
127.03929	33.3
131.82422	2.6
132.04453	9.4
133.08694	3.3
134.99681	3.3
137.02379	4.5
137.05920	3.0
139.03905	3.6
143.00201	3.2
145.04962	56.2
150.05548	5.6
151.03937	11.2
158.97484	2.8
161.01187	3.9
163.03851	3.8
163.06021	13.2
168.04738	2.8
176.98550	4.1
204.10379	4.4
210.05847	12.3
218.89354	3.0
223.04214	10.3
234.99318	3.2
258.95761	3.0
267.03970	5.4
279.93365	3.1
311.62396	3.4
312.08804	3.7
312.19012	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05308	2.2
55.05517	27.7
56.96552	5.8
57.07075	21.6
67.05502	25.7
67.61686	2.1
69.03425	5.2
69.06728	3.5
69.07073	59.6
69.46426	10.9
69.46856	6.6
70.06586	4.6
71.04989	4.3
71.08643	17.4
79.05519	12.2
81.03426	3.1
81.07063	100.0
83.04991	3.3
83.08621	35.8
85.06538	9.1
91.05470	8.8
93.07058	19.2
93.35211	1.9
95.04964	4.4
95.08615	89.1
97.02882	2.4
97.06548	2.5
97.10172	22.1
98.09692	2.4
98.97572	2.3
99.08087	11.5
100.11244	4.0
105.07043	6.6
107.08598	19.9
109.06525	3.5
109.09439	4.0
109.10158	45.8
111.04453	2.8
111.08080	7.4
111.11745	12.3
113.09591	2.7
116.14348	2.1
119.08591	3.7
121.06538	3.0
121.10146	14.3
123.11711	29.2
125.13277	8.8
131.08574	2.9
133.06483	2.3
133.10100	3.0
135.11674	7.6
137.06004	10.2
137.13261	29.7
145.10123	2.9
147.11673	4.4
149.13225	10.9
151.14830	9.1
155.14310	2.8
157.27948	2.3
159.11749	2.4
163.14824	4.0
165.16371	4.5
167.14342	3.0
175.07454	2.7
187.07555	2.8
190.07747	3.0
191.08562	5.1
200.04324	2.0
209.11746	2.5
219.08073	7.5
246.57573	2.7
247.07907	2.6
251.10718	6.2
275.20148	4.6
275.27371	4.5
279.10025	6.7
281.28433	5.8
293.20941	4.6
293.28375	20.8
295.66156	2.6
296.10245	2.2
301.66074	4.8
310.66608	7.9
311.09186	5.1
311.12695	10.3
311.16159	2.4
311.29434	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	312.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01860	1.7
57.03423	1.5
58.28965	0.4
61.02920	1.6
67.05491	0.6
69.03081	0.8
69.03431	13.6
69.07070	1.5
69.65714	0.9
69.66116	2.7
70.06582	0.4
73.02922	2.1
77.03926	0.5
79.05487	0.6
80.05024	0.4
81.03419	4.8
83.01350	0.6
85.02908	6.7
91.05500	0.9
95.04375	0.7
95.04968	10.1
96.04503	0.5
97.02896	11.1
99.04467	2.9
101.02367	0.6
103.03952	1.0
103.05495	0.8
105.03375	0.6
105.07027	0.5
107.04952	8.9
109.02901	2.3
110.06016	0.8
111.04411	0.5
112.03965	0.7
115.03880	0.5
115.05450	0.5
115.07584	3.5
119.04941	0.7
121.02865	12.2
122.06030	40.4
123.04445	4.3
123.06356	0.6
127.03913	3.0
131.04930	1.9
132.04448	6.3
132.08099	0.5
133.02850	1.7
133.05226	4.3
133.06226	0.6
133.06502	0.5
133.08592	1.0
134.06018	13.1
135.04425	0.6
136.07571	1.7
145.04967	1.3
145.06438	0.5
146.05992	5.9
146.07056	0.4
147.04350	1.1
147.06676	0.5
148.03923	0.9
148.07565	2.9
149.05956	0.7
149.97839	0.5
150.05502	100.0
151.03888	1.5
151.05884	1.4
152.07082	0.9
157.06454	0.6
158.06015	0.7
159.04430	0.8
159.06821	0.6
160.03993	0.7
160.06245	0.9
160.07588	3.4
161.05978	0.7
162.05516	6.5
163.03893	0.5
164.07106	1.3
172.07553	1.0
174.05511	14.9
174.09161	0.5
176.07059	6.8
178.04982	2.1
180.06535	0.6
182.79445	0.4
184.07559	1.4
185.05969	1.0
186.05476	1.1
188.07076	4.0
189.05637	0.5
190.07152	0.7
192.06438	2.4
200.07130	1.9
201.05466	1.1
202.05023	1.3
202.08667	1.9
203.07094	0.8
204.06584	0.7
204.10219	1.1
212.07054	1.7
213.05573	1.0
216.06593	3.5
228.06654	0.7
230.08133	3.7
231.06541	1.3
248.09222	1.6
250.10806	2.6
258.07608	2.2
266.10333	0.9
276.08624	6.2
277.07016	1.7
294.09729	10.4
294.13052	0.7
312.10779	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	312.1078
Annotation	Zierin
Peak:m/z	Relative Intensity
53.03936	1.6
55.01873	1.6
57.03430	1.2
58.27831	0.6
67.93159	0.8
69.03431	14.2
71.13588	1.4
71.13944	1.3
81.03410	3.7
82.02958	0.8
82.36240	0.8
85.02908	5.0
87.02283	0.7
95.01317	1.1
95.04965	9.2
97.02892	8.7
99.04449	3.0
103.03947	0.9
107.04965	6.9
108.04415	0.9
109.02896	2.2
119.04948	1.1
121.02870	11.8
122.06028	36.0
123.04424	3.2
127.03890	2.2
131.04939	1.7
131.96712	1.6
132.04463	7.4
133.02869	1.3
133.05247	4.1
134.06017	11.0
136.07553	1.5
146.05998	4.7
148.03947	1.9
148.07559	2.1
150.05507	100.0
151.03902	1.9
151.05902	1.8
160.07561	1.8
161.05949	0.8
162.05527	5.6
163.03932	1.0
164.07043	0.9
174.05504	17.3
176.07091	5.3
178.04994	1.1
185.05965	1.9
188.07051	3.9
192.06593	2.6
200.07050	1.3
202.04979	1.9
202.08612	1.8
212.07045	2.4
216.06599	2.9
230.08142	2.2
231.06570	1.4
248.09306	1.6
258.07761	1.5
276.08646	6.2
277.07104	1.2
294.09677	9.8
312.10803	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03936	1.6
55.05511	33.4
56.05827	0.9
57.03187	1.1
57.03440	12.5
57.07077	18.5
67.05514	5.9
68.99786	2.4
69.07069	37.7
70.07402	0.8
71.08631	10.2
71.33630	1.4
73.09408	0.6
79.05494	3.6
81.07060	7.9
83.04986	1.1
83.08618	31.6
85.06554	0.9
85.10180	4.0
86.46087	0.8
91.05453	1.6
93.07052	6.2
95.04961	1.9
95.08614	5.8
97.06540	3.4
97.10170	23.6
98.10497	1.0
105.03402	1.3
105.07021	2.9
107.08601	4.3
109.06509	1.0
109.10160	3.0
111.04403	0.8
111.08059	1.8
111.11705	7.8
121.10143	5.6
123.11670	1.2
125.05953	1.8
125.09602	1.4
125.13251	2.2
135.04416	29.7
135.11682	4.1
136.04747	1.2
137.13191	0.9
139.11163	1.2
146.07259	2.5
147.04414	0.9
149.13260	1.8
150.71806	0.7
153.05385	0.9
153.12735	0.7
161.09624	51.8
162.09940	3.0
163.14719	0.9
169.43573	0.7
177.05527	2.9
179.48080	0.7
203.10539	0.9
209.11714	4.9
219.21089	1.7
237.11197	3.0
237.22029	0.8
246.88403	0.7
255.09999	0.8
255.12473	0.8
275.20013	1.4
293.21045	2.0
311.16409	40.4
311.25809	100.0
312.16733	4.1
312.26053	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01885	1.6
55.05516	42.3
57.03444	16.5
57.07082	20.6
63.51434	0.5
67.05511	6.6
69.07075	43.7
69.43837	1.2
69.44256	4.9
71.04994	0.8
71.08285	0.9
71.08636	11.8
73.02906	1.1
79.05509	3.9
81.07063	8.5
83.04971	1.2
83.08627	39.6
85.10189	4.1
93.07057	4.6
94.63000	0.6
95.04953	0.6
95.08617	6.8
97.06523	3.3
97.10176	26.6
100.88908	0.6
107.08591	3.6
109.10157	2.3
111.08066	1.8
111.11729	7.2
112.63930	0.6
121.10165	4.9
123.11724	1.0
125.09622	0.8
125.13284	1.6
135.11684	4.3
137.13234	1.2
139.11150	0.7
140.81927	0.7
149.13275	2.4
163.14854	0.8
209.11635	0.7
219.21161	1.4
237.11266	0.8
237.22159	1.6
256.04645	0.7
275.20221	1.0
282.95236	0.7
293.21182	1.8
311.25833	100.0
312.26120	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.20219	0.5
53.03951	0.6
55.01874	1.2
55.05513	41.8
57.03440	18.0
57.07078	19.5
62.03302	0.6
67.05507	7.1
69.07070	42.6
69.14567	0.5
69.28021	3.4
69.28445	2.9
70.07400	0.7
71.08632	11.7
79.05499	4.7
81.07063	7.9
83.04982	1.7
83.08624	36.6
84.08939	1.2
85.10183	4.9
85.32425	0.6
91.05457	0.9
93.07055	5.1
95.08611	5.8
97.06527	3.8
97.10176	27.9
107.08604	4.8
109.10146	2.1
111.08087	1.6
111.11724	7.0
114.11922	0.6
118.21384	0.5
121.10155	4.7
123.11710	1.2
125.09620	1.5
125.13267	2.3
133.10101	0.6
135.11729	3.1
137.13293	1.0
149.13237	1.8
153.12770	1.0
163.14781	1.6
167.14314	1.0
181.12115	0.6
183.34973	0.5
219.21089	1.5
237.11182	0.7
275.19931	0.6
281.55252	0.8
293.21066	1.6
306.72647	0.6
311.25812	100.0
312.26160	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03926	0.7
55.01857	1.5
55.05513	45.4
57.03439	18.4
57.06789	0.7
57.07077	22.1
67.05506	8.6
69.07069	49.4
70.02461	1.3
70.02872	2.9
70.07399	1.1
71.04973	0.8
71.08631	11.9
73.02910	1.4
79.05495	4.3
81.07056	9.2
83.04984	1.1
83.08619	42.9
85.10175	5.7
91.05437	1.0
93.07040	6.2
95.08603	5.7
97.06544	4.3
97.10173	27.7
98.20859	1.0
107.08606	3.4
109.10158	2.9
111.08077	2.1
111.11722	9.9
121.10149	6.0
122.28626	0.7
123.11726	1.1
125.09612	1.5
125.13277	2.2
135.11673	3.3
137.13275	0.9
139.11194	0.8
149.13255	1.8
153.12706	1.0
163.14865	1.2
174.76422	0.7
219.21002	1.9
237.11047	0.7
237.22023	0.9
289.51633	0.7
311.25809	100.0
312.26025	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03948	5.9
55.01861	9.7
55.05508	40.4
57.03433	6.6
57.07068	5.7
67.05504	51.5
69.03430	8.0
69.07063	18.3
70.59852	12.0
71.08627	55.1
79.05494	32.8
81.03412	12.3
81.07059	60.4
83.04967	10.2
83.08627	23.2
85.02901	10.6
85.06553	5.8
91.05486	30.0
93.07054	25.2
95.04963	23.4
95.08607	34.9
97.06510	7.9
97.10164	11.9
99.08105	47.1
105.07026	17.0
107.04965	15.0
107.08609	22.6
107.42807	3.6
109.06535	11.0
109.10157	13.5
111.04426	5.9
111.08086	17.9
117.07007	12.7
119.08554	12.9
121.06516	8.9
121.10142	13.5
123.08064	4.6
125.09625	10.6
131.08565	13.8
133.06581	3.7
133.10139	17.8
135.08110	5.1
135.11697	11.4
137.05966	8.0
145.10121	12.1
147.11658	8.4
149.09581	8.4
151.11198	10.9
159.11679	9.6
161.09633	14.2
163.11226	19.1
165.12770	11.1
173.09679	5.5
177.12738	19.0
181.12181	5.2
185.71896	3.4
191.10600	4.7
193.12242	5.1
195.13826	26.3
209.11795	4.8
219.08040	4.2
223.13260	4.0
247.20581	11.8
251.20155	3.4
257.18982	6.9
265.21619	4.7
275.20065	66.1
291.16064	3.6
293.21109	100.0
311.12726	4.2
311.22391	5.8
333.93802	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01869	10.0
55.05508	66.0
57.03435	11.6
57.07067	21.4
67.05503	32.3
69.03425	5.7
69.07066	43.8
70.08487	31.1
71.04967	6.3
79.05493	31.6
81.03423	11.6
81.07066	37.1
81.40588	5.1
83.04981	32.5
83.08616	59.0
85.06566	7.1
91.05474	14.1
91.07005	5.4
93.07058	36.1
95.04963	56.4
95.08601	17.9
97.06514	10.9
97.10175	34.6
99.08105	7.2
105.07020	24.2
107.04939	8.4
107.08623	43.0
109.06512	13.1
109.10159	11.9
111.04429	47.1
111.08086	13.7
119.08601	13.2
121.10131	23.4
125.06013	11.1
125.09653	29.1
130.32159	5.0
131.08580	16.9
132.09181	5.6
133.10146	8.9
135.04439	63.3
135.08066	9.0
135.11670	17.9
143.13631	5.2
145.10107	22.6
147.11656	6.9
149.09656	35.2
151.86275	6.0
153.12677	6.1
159.11711	10.4
161.09612	84.7
163.11169	30.6
181.12224	12.6
189.11229	30.1
191.10638	10.3
205.12178	7.8
209.11720	29.8
223.13309	89.8
237.11227	26.8
255.12320	10.4
257.18970	9.9
275.20050	72.6
293.21140	100.0
311.16428	70.8
311.22226	24.9
311.25790	69.3
312.16519	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03939	2.7
53.99512	1.5
55.01860	7.0
55.05513	35.5
57.03437	2.4
57.07062	3.5
65.03951	2.4
67.05506	67.8
69.03419	5.0
69.07069	27.6
70.78310	5.3
71.04990	2.9
71.08630	2.9
79.05066	1.9
79.05498	31.5
81.03411	4.9
81.07061	62.9
82.16951	1.6
83.04974	9.1
83.08626	19.1
83.32027	1.6
83.50591	1.6
85.02882	2.4
85.06538	3.8
87.04464	2.2
91.05487	31.5
93.07051	37.4
95.04969	11.6
95.08614	43.5
96.08945	1.7
97.06553	10.3
97.10168	20.1
99.08060	3.8
103.05463	3.9
105.07030	33.3
107.04947	8.0
107.08600	30.9
109.06513	7.0
109.10156	36.2
111.08052	4.8
111.11712	2.5
117.07021	11.0
119.08585	27.5
121.06543	2.9
121.10137	18.1
123.08056	8.7
123.11719	9.7
125.09628	16.8
129.06992	2.4
130.59732	1.6
131.08577	13.3
133.10129	23.7
135.08040	5.1
135.11699	11.0
137.05984	6.2
137.09621	10.1
139.11195	3.4
143.08569	3.8
145.10136	16.9
147.07991	2.6
147.11678	14.0
147.54668	1.7
149.09644	14.2
149.13300	4.4
151.11211	2.6
151.14801	1.8
155.10696	1.8
157.10153	4.8
159.11720	10.2
159.12923	1.4
161.06033	2.2
161.09656	3.0
161.13251	5.7
163.11154	11.7
165.09160	1.7
165.12866	2.9
167.10727	1.6
171.11740	3.3
173.11740	11.7
173.13252	8.5
175.11275	2.1
175.14841	1.9
177.12744	3.8
180.05507	1.9
181.12198	3.5
183.11697	4.6
188.53549	4.2
189.11246	10.8
191.08452	2.1
191.14400	1.9
195.13786	3.4
197.13249	2.5
199.14864	2.8
200.04378	3.9
203.12901	1.9
209.11717	2.6
217.15967	2.3
219.08025	2.3
223.13271	3.8
229.19502	2.7
235.16991	3.2
237.18533	2.5
239.17892	6.0
247.20570	3.7
251.10789	3.3
257.19000	14.0
265.21448	2.8
275.20084	100.0
276.20352	4.5
279.10187	3.8
293.21164	30.1
294.21423	2.0
300.06458	2.2
311.09595	3.5
311.12836	5.5
311.22168	6.0
315.08627	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.02077	2.5
55.01877	4.1
55.05512	25.2
57.03430	6.4
57.07069	19.8
67.05502	29.4
67.41657	3.3
69.07070	25.6
71.08623	4.9
71.22510	7.9
79.05486	15.6
81.03440	3.2
81.07059	34.7
82.06657	3.5
83.04982	14.8
83.08623	21.9
91.05503	15.9
93.07052	28.1
95.04974	16.5
95.08604	27.6
97.06532	11.6
97.10162	17.9
97.34521	3.3
97.52863	3.5
105.07030	13.2
107.04961	5.2
107.08583	18.1
109.06516	5.8
109.10155	18.6
111.04435	9.8
111.08102	4.1
117.06991	8.5
119.08609	16.2
121.06512	6.1
121.10152	17.5
122.55659	3.7
123.08087	6.0
123.11672	6.5
125.05975	3.4
125.09598	15.3
131.08559	9.4
131.53366	3.1
133.10138	17.6
135.04312	4.7
135.08044	11.6
135.11711	9.1
137.09610	7.6
145.10104	14.0
147.11671	8.2
149.09633	21.7
153.05443	4.8
157.10176	3.5
159.11682	7.1
161.09653	6.3
161.13341	4.0
163.11145	21.6
171.11758	4.4
173.13213	5.0
177.12733	3.8
183.11664	3.3
189.11172	8.7
191.10674	4.0
191.14212	4.2
193.04939	3.2
204.77199	3.4
209.11789	21.4
215.18109	3.7
223.13335	11.1
229.19440	4.4
237.11234	22.4
239.17984	9.4
247.20677	5.8
255.12334	11.2
257.18970	11.7
275.20090	100.0
276.20477	9.3
293.21130	46.2
311.25867	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.31517	4.1
53.47503	4.0
55.01865	20.1
55.05310	4.0
55.05516	48.3
57.07066	16.2
67.05506	46.4
68.75450	4.6
69.03406	3.9
69.07059	24.7
70.78481	6.9
70.78854	11.7
71.04987	6.4
71.08617	7.0
79.05488	38.9
81.03424	9.1
81.07056	54.6
83.04966	24.3
83.08619	30.5
85.02856	5.1
85.06528	8.9
88.16180	3.9
91.05478	21.6
91.62723	3.8
93.07040	43.0
95.04978	44.5
95.08595	36.6
97.06534	11.6
97.10172	18.0
105.07034	32.5
107.04964	13.1
107.08584	32.6
109.06484	6.6
109.10136	26.5
111.04454	28.9
111.08091	21.7
117.07050	8.7
119.08588	25.5
121.10137	20.7
123.11736	5.5
125.09644	20.3
131.08560	21.9
133.10115	21.9
135.11722	13.4
136.80507	3.9
137.76187	4.1
145.10114	26.0
147.07970	7.5
147.11731	11.2
149.09636	21.2
151.11177	8.3
153.05409	8.7
153.12708	8.0
159.11613	5.0
163.11166	28.8
164.12851	3.8
173.13202	5.0
181.12247	6.7
183.30330	4.3
189.11232	16.5
191.10895	4.2
197.13150	4.6
205.12057	4.1
209.11736	44.7
219.17496	4.1
223.11353	5.7
223.13304	40.0
237.11240	27.7
247.20654	4.5
255.12225	9.5
257.19003	11.3
275.20084	100.0
282.32394	4.5
293.17834	6.3
293.21106	91.6
311.22095	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	311.2215
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01867	5.7
55.05514	22.0
57.03442	3.5
57.07080	9.9
60.23882	1.7
67.05505	19.6
68.50716	1.7
69.07068	16.2
70.60627	1.8
71.04984	2.9
71.08627	7.0
71.60665	2.8
74.92278	1.7
79.05498	11.6
81.03398	2.7
81.07056	25.5
81.07813	1.6
83.04979	6.7
83.08220	1.5
83.08623	12.5
85.02888	3.8
91.05466	7.3
93.07046	15.0
95.04998	11.5
95.08604	16.2
97.06519	4.1
97.10159	8.8
99.08092	5.4
105.07022	6.7
107.04970	5.8
107.08598	15.3
109.02858	2.0
109.06579	2.9
109.10138	8.1
110.10496	2.0
111.04438	11.5
111.08060	5.8
113.58537	2.0
117.07017	2.7
119.08575	6.2
121.06497	5.2
121.10123	7.9
123.08060	2.9
125.05972	4.4
125.09632	8.1
129.06979	2.9
131.08592	3.6
133.06439	2.1
133.10127	7.7
135.08035	3.8
135.11681	8.5
137.09570	1.9
145.10117	5.5
145.77747	2.0
147.11697	4.7
149.09604	5.1
151.11200	2.4
153.05431	6.0
153.09140	2.1
153.12802	2.2
163.11205	7.3
163.92281	2.0
165.12827	2.1
167.10443	2.0
173.13298	2.6
181.12167	3.5
184.07320	2.0
189.11195	6.0
191.10609	3.9
209.11755	23.3
223.13301	9.8
237.11226	20.3
247.20476	2.9
250.32089	1.9
255.12279	4.9
257.18924	3.1
265.21655	3.3
275.20062	19.3
293.21115	100.0
294.21478	4.2
311.22150	6.2
311.25732	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.26448	2.7
53.03936	3.5
55.01866	9.7
55.05300	2.9
55.05513	30.2
55.11915	2.6
55.95785	2.6
57.03424	5.6
57.07066	9.9
63.41627	2.8
67.05509	54.8
69.03431	20.4
69.07071	23.4
69.37277	2.5
69.93619	11.9
71.04991	7.1
79.05499	31.3
81.03439	3.8
81.07063	70.3
83.04977	12.4
83.08626	14.9
85.06526	5.7
91.05486	30.2
93.07048	37.2
95.04984	21.4
95.08610	40.2
97.06546	6.9
97.10152	10.4
99.08049	5.9
105.07030	31.3
107.04935	7.1
107.08589	33.4
109.02843	2.4
109.06521	9.1
109.10168	27.1
111.04446	9.7
111.08076	8.9
117.06977	6.9
119.08604	30.5
121.06500	3.2
121.10162	18.0
123.08069	8.7
123.11649	12.5
125.09628	10.4
129.06996	3.3
131.08565	14.4
133.10139	40.8
135.08034	5.6
135.11710	14.6
136.50507	2.8
137.09602	9.6
143.08591	3.9
145.10149	15.2
147.11700	15.9
149.09644	15.8
149.13252	7.2
151.11189	9.7
153.05455	3.3
157.10075	5.1
159.11670	10.9
161.09599	2.7
161.13339	2.8
163.11232	12.8
165.12766	4.6
169.12228	3.5
173.13243	5.4
175.11128	4.7
177.12778	5.4
181.12209	3.7
183.11646	2.8
189.11266	6.4
191.10605	3.2
193.12341	2.6
195.13905	3.4
201.16371	2.7
209.11748	26.8
223.13298	14.0
229.19484	5.0
235.16922	12.0
237.11288	19.1
239.17949	6.7
247.20535	4.8
249.18448	3.1
250.23715	2.8
255.12236	4.8
257.19012	11.6
265.21759	5.0
275.20071	100.0
276.20480	3.2
293.17758	4.1
293.21072	57.2
294.21591	2.9
298.74551	3.4
311.24692	6.7
311.74844	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03947	6.8
55.01874	19.4
55.05513	41.8
57.03440	6.6
57.07066	20.1
59.07831	3.3
63.87366	3.1
66.97167	3.8
67.05158	5.8
67.05503	65.0
68.05813	3.4
69.03420	6.0
69.07076	38.5
69.62019	3.0
69.90865	16.7
71.04987	7.0
71.08619	14.4
75.89999	3.4
79.05496	50.4
81.03415	11.8
81.07059	81.8
83.04979	31.5
83.08618	31.3
85.02902	3.9
85.06531	7.8
91.05489	36.0
93.07049	47.3
95.04977	37.3
95.08618	47.8
97.06554	23.5
97.10185	18.1
99.04458	5.3
99.08112	8.8
105.07030	37.1
107.04959	13.6
107.08599	44.1
109.06531	13.2
109.10139	22.8
111.04453	21.9
111.08062	10.9
113.06007	3.2
117.07009	13.3
119.08585	30.6
121.06531	7.0
121.10140	22.7
123.08105	16.4
123.11704	5.2
124.22296	3.5
125.06017	6.2
125.09631	33.4
129.07037	6.7
131.08566	17.0
133.10136	28.0
135.08113	9.6
135.11719	11.7
137.09628	8.4
139.11200	5.4
143.08588	6.7
145.10146	28.8
147.08005	4.8
147.11691	18.2
149.09650	24.0
149.13309	7.7
151.11168	5.8
153.05441	8.3
153.09093	3.4
153.12778	4.5
157.10196	7.1
159.11707	13.0
161.09695	4.7
161.13278	5.2
163.11174	23.3
165.12772	8.3
167.10686	7.1
169.10126	4.1
171.11642	7.0
173.13341	6.7
175.11203	6.5
177.09183	3.4
177.12791	13.0
181.12245	9.9
183.11670	3.5
187.11185	4.2
189.11188	17.1
191.10655	6.1
193.12294	5.0
195.13737	4.5
205.12234	4.4
209.11707	45.1
209.61659	3.5
223.13309	33.3
237.11241	49.8
247.20372	7.2
255.12276	11.1
255.17612	4.8
257.18997	15.4
265.21655	4.2
273.18478	12.4
275.20102	83.3
293.21094	100.0
294.21683	6.1
311.15656	19.2
311.19125	4.3
311.22141	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03951	5.4
55.01868	19.1
55.05282	7.0
55.05513	51.7
57.03407	6.2
57.07083	28.6
60.78661	4.5
67.05215	5.2
67.05511	52.9
69.03433	8.1
69.07071	32.4
70.78732	15.3
71.04980	6.9
71.08632	6.9
79.05486	36.2
81.03414	7.7
81.07059	74.2
82.44865	4.9
83.04987	15.8
83.08626	28.5
84.70226	4.7
85.02914	4.7
91.05474	37.4
93.07041	46.7
93.92551	4.4
95.04976	43.9
95.08617	38.4
97.06522	15.6
97.10178	16.6
99.04440	6.0
99.08103	8.2
105.07047	40.0
107.04957	7.6
107.08604	46.5
109.02870	6.3
109.06497	11.0
109.10152	31.0
111.04457	30.7
111.08060	10.6
117.07038	10.8
118.04320	4.7
119.08582	33.5
121.10123	29.5
123.08078	11.2
123.11697	6.2
125.06020	12.3
125.09609	15.5
128.56502	5.2
131.08565	18.0
133.10117	30.8
135.08064	11.4
135.11696	18.0
137.09618	11.3
139.11221	7.8
145.10132	15.4
147.11678	14.3
149.09608	22.1
149.13237	5.6
151.11192	9.3
153.05499	15.2
159.11702	10.3
161.13272	5.3
163.11171	26.5
165.12816	5.6
171.11781	5.8
173.13287	5.4
175.11282	6.7
181.04948	4.8
181.12195	14.0
185.13194	4.6
189.11253	18.0
191.10664	17.2
193.05081	8.5
195.13725	8.2
197.13380	8.2
209.11732	97.8
209.13623	6.3
223.13272	44.0
237.11221	88.5
255.12297	13.3
257.19153	23.2
265.21594	8.0
273.88245	4.6
275.20071	100.0
293.17877	11.6
293.21115	92.9
311.18695	9.1
311.21600	6.4
311.25040	25.4
311.74762	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	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01868	10.4
55.05514	33.3
57.07081	32.5
63.98060	1.8
67.05504	38.7
69.03455	3.1
69.07067	23.8
70.01631	10.1
70.06590	2.4
71.04983	5.0
71.08632	6.8
79.05492	30.5
81.03428	4.8
81.07058	38.5
83.04979	18.3
83.08624	21.0
85.02900	4.3
88.07641	3.0
91.05489	17.0
93.07032	25.2
95.04975	34.4
95.08611	29.2
97.06544	8.7
97.10177	17.2
99.04453	3.6
99.08109	3.5
105.07025	19.2
107.04953	6.4
107.08588	26.3
109.02880	3.1
109.06509	8.6
109.10148	17.7
111.04450	34.3
111.08066	10.6
117.07030	8.7
119.08580	20.9
121.06505	5.6
121.10134	14.0
123.08075	8.2
123.11712	4.1
125.05997	7.5
125.09602	15.4
131.08585	9.7
133.10153	12.2
135.04472	3.9
135.08102	5.5
135.11728	11.4
139.11192	2.6
141.09187	3.2
145.10126	17.1
147.08017	3.6
147.11723	6.7
149.02318	6.4
149.09633	25.8
149.13258	5.5
153.05481	16.8
153.09073	3.6
159.11754	6.7
161.09628	2.4
163.11159	24.3
165.12761	2.5
167.10684	3.4
169.10123	2.8
175.11177	5.0
177.12776	2.9
181.04965	4.5
181.12181	13.2
183.11760	3.7
187.11206	3.9
189.11226	11.5
189.54781	2.1
191.10651	16.3
193.04935	15.4
196.62570	4.1
200.20221	2.4
205.12093	3.6
209.11740	100.0
210.12195	3.1
211.13228	3.3
223.13297	36.4
224.65700	4.0
237.11235	77.7
239.17950	2.7
247.20596	2.7
251.20033	5.9
255.12312	23.9
256.26355	2.9
257.19037	9.3
275.20078	67.3
276.20581	3.8
293.17526	10.1
293.21042	67.2
311.18558	5.1
311.21585	4.4
311.24866	36.8
311.74811	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	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.27248	2.1
53.03939	7.5
55.01868	12.3
55.05268	2.4
55.05515	38.6
57.03435	4.2
57.07065	6.2
67.05509	54.4
69.03426	4.5
69.07068	15.8
69.95027	4.5
69.95435	8.0
71.04982	7.0
71.08633	50.5
79.05501	24.4
81.03418	23.4
81.07059	52.8
83.04980	14.4
83.08620	26.1
85.02892	6.7
85.06561	5.1
90.29630	1.9
91.05476	32.6
93.07049	31.4
95.04974	29.1
95.08607	33.6
97.06528	5.7
97.10163	12.7
99.08100	44.8
105.07046	20.6
107.04961	17.8
107.08606	20.0
109.06511	8.1
109.10164	14.9
111.04419	5.9
111.08088	14.7
111.89167	2.0
117.07056	12.1
119.08577	19.1
121.06507	7.4
121.10159	16.6
123.08063	5.1
125.06048	3.3
125.09622	13.1
129.06976	4.0
131.04950	3.2
131.08586	11.1
133.10138	14.0
135.08032	7.0
135.11679	10.6
136.35854	2.2
137.09579	5.0
139.11179	3.8
145.06491	5.5
145.10150	14.9
147.11667	12.5
149.09601	10.7
149.13229	6.3
151.11185	31.0
153.09143	3.1
153.12706	2.6
157.10149	3.7
159.11697	11.5
161.09613	17.4
163.11180	19.1
165.12744	8.6
167.10669	3.4
171.11681	3.8
173.09624	8.2
177.12753	26.2
181.12276	3.7
189.11217	7.5
191.10622	3.4
191.14407	2.6
193.12254	4.9
195.13803	17.9
209.11729	4.9
211.13217	2.6
223.13304	6.4
227.12645	2.9
229.19647	3.4
247.20584	6.7
257.18988	7.6
275.20074	52.4
293.21115	100.0
311.22195	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01876	14.7
55.05522	44.8
57.03433	5.2
57.07082	27.2
60.70135	3.9
67.05518	39.0
69.03437	4.3
69.07083	23.7
69.95058	19.8
71.04989	6.9
73.82569	3.7
77.23032	3.4
79.05502	26.9
81.03452	6.5
81.07059	41.6
82.49556	3.3
83.04980	24.8
83.08622	24.7
85.02914	15.8
91.05495	18.8
93.07044	34.4
95.04979	65.6
95.08625	20.2
97.06538	8.8
97.10182	16.6
99.08100	8.5
105.07032	25.9
107.04951	11.1
107.08613	44.4
109.06553	9.7
109.10174	29.6
111.04440	41.2
111.08096	5.9
117.07050	5.7
119.08592	16.2
121.06487	4.6
121.10175	19.8
123.11737	5.6
125.05995	7.0
125.09630	14.7
131.08588	20.7
133.10117	26.8
135.08098	5.8
135.11739	7.8
137.09648	4.7
145.10146	18.2
147.07967	5.4
147.11638	6.9
149.02362	6.1
149.09627	37.5
151.11205	17.7
153.05501	14.5
153.12732	8.0
161.13261	3.9
163.11191	30.0
181.05038	4.5
181.12297	14.9
189.11302	26.4
191.10710	12.5
193.04984	18.5
195.13774	9.8
209.11748	90.8
209.13641	6.2
210.12086	4.3
223.13335	64.1
237.11241	75.1
255.12328	18.7
257.19037	9.1
263.69284	4.4
275.20108	73.8
279.28485	4.9
293.17773	6.1
293.21121	100.0
293.24265	6.7
311.18912	5.4
311.21643	7.6
311.24976	29.0
311.74741	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	310.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01862	2.0
57.03443	2.4
57.07068	4.6
59.04974	1.3
60.19053	1.1
61.02916	2.7
67.05500	9.4
69.03434	8.2
69.07055	1.6
70.04063	1.5
70.06577	4.4
70.71114	2.5
70.71479	2.3
71.05000	9.7
76.26566	1.1
78.01785	1.2
81.03407	3.8
84.04508	2.1
85.02909	31.3
85.06554	6.0
91.03935	2.5
95.04978	17.4
97.02892	10.0
107.04917	1.1
109.02873	1.5
113.06012	66.5
121.02853	2.9
121.10167	1.0
123.04443	10.0
127.03900	6.5
131.07048	100.0
132.04401	1.3
134.09683	2.0
136.03957	5.1
137.02322	2.3
137.04257	4.3
145.04994	10.9
146.09453	18.9
146.59602	3.1
148.03935	10.3
149.02342	5.1
150.05489	2.1
163.05998	1.9
166.04987	1.6
190.04955	1.7
198.19452	1.2
203.08142	5.0
204.06758	1.9
204.08499	10.9
220.05989	1.8
221.06433	3.6
221.24593	1.2
228.06686	1.3
231.14836	3.0
232.06026	2.3
232.13289	1.2
260.02420	1.1
310.09277	9.9
310.15378	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.62666	0.4
53.03949	1.4
55.01875	3.9
55.05514	41.1
57.03442	17.0
57.07080	19.3
65.74134	0.5
67.05166	1.0
67.05511	14.6
69.07073	47.5
70.79673	1.6
71.04990	1.7
71.08278	0.9
71.08636	10.6
79.05495	8.0
81.07065	14.8
81.74683	0.5
83.04979	3.2
83.08625	42.4
85.06560	1.2
85.10183	5.7
91.05480	3.5
93.07058	10.1
95.04958	2.5
95.08607	9.6
95.09163	0.9
97.06537	5.7
97.10179	25.7
99.04422	0.8
99.08089	0.9
101.06094	0.5
105.07066	3.2
107.05032	0.7
107.08605	7.4
109.06521	1.3
109.10158	7.0
111.04436	1.4
111.08088	1.7
111.11727	8.1
113.05979	0.6
117.07011	0.6
119.08551	1.3
121.06535	0.5
121.10149	7.3
123.08095	1.0
123.11705	3.2
125.09646	2.6
125.13268	1.7
131.08527	1.0
133.10121	4.5
135.04431	2.6
135.08084	1.0
135.11705	5.6
137.09625	1.6
137.13239	0.9
139.11159	1.6
145.10110	1.1
147.11678	0.6
149.09616	0.8
149.13252	2.0
149.88612	0.5
151.11200	2.6
153.12756	1.1
159.07927	0.6
159.11734	0.5
161.09637	1.1
163.11197	1.3
164.92308	0.6
169.12218	0.9
172.65584	0.6
177.12781	0.9
181.12244	1.1
200.85895	0.5
202.98747	0.6
209.11720	2.9
219.21097	1.1
223.13240	0.7
229.19522	0.7
237.11267	1.6
237.22102	0.8
247.20540	1.3
255.12334	0.6
257.19006	0.7
275.20026	7.4
292.63132	0.6
293.17853	0.9
293.21097	9.8
311.25824	100.0
312.26138	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03938	2.5
55.01873	2.1
55.05514	22.4
57.03439	5.1
57.07079	7.6
59.04990	2.1
65.03952	1.8
67.05508	41.4
68.05836	1.3
69.03430	3.8
69.07070	34.8
69.36353	6.9
69.36774	3.8
70.04067	1.0
70.06578	1.2
71.05000	7.9
71.08635	2.8
79.05494	14.6
80.05833	1.1
81.03420	3.4
81.07063	100.0
82.07383	3.7
83.04987	2.8
83.07712	1.1
83.08620	22.4
85.02908	4.6
85.06549	10.7
91.05487	8.2
93.07047	22.1
95.04978	3.9
95.08614	68.8
96.08949	2.9
97.06555	4.8
97.10179	11.4
98.97617	1.1
98.98453	3.6
99.07469	1.7
99.08096	15.4
105.07038	9.8
107.04971	1.3
107.06163	1.1
107.08604	25.5
109.02865	2.2
109.06549	2.7
109.10162	73.4
110.10517	2.9
111.04427	1.1
111.08081	7.0
111.11022	1.0
111.11723	6.7
113.09699	1.8
114.10291	2.9
117.07051	1.5
119.04963	4.9
119.08610	9.1
121.10151	16.2
122.10450	1.3
123.04455	1.3
123.08088	2.9
123.11725	27.1
124.12063	1.1
125.09670	3.6
127.07523	2.4
127.11224	3.6
129.07016	1.5
131.08580	1.9
133.10126	4.8
135.08073	1.7
135.11719	13.0
137.05988	1.7
137.09679	2.4
137.13271	9.9
139.11171	2.3
141.12744	1.8
143.08586	1.1
145.10144	2.8
147.04417	20.4
147.08107	1.2
147.11711	4.0
149.09680	1.0
149.13280	13.5
151.14822	7.4
153.12747	4.7
157.10074	1.8
159.11652	1.4
161.09651	1.1
161.13261	2.0
163.11339	1.3
163.14812	9.7
165.05470	1.0
165.12741	1.5
165.16426	2.1
167.14352	1.5
170.06084	1.0
173.11781	1.7
173.13147	1.2
175.11087	1.2
175.14839	3.0
177.16412	3.8
180.13858	3.8
189.01868	1.2
189.16293	1.7
191.17928	3.4
195.85745	1.1
200.04860	1.1
203.17998	3.2
205.19519	3.9
208.03996	1.6
217.19530	2.2
225.04205	2.2
227.03409	5.1
235.20218	1.1
253.03653	2.2
254.04488	8.2
261.25739	2.4
273.18497	3.6
273.25662	4.6
277.08606	2.0
279.26907	3.0
282.04001	9.3
284.91150	1.0
291.19742	5.4
291.26825	12.3
309.05084	13.3
309.10803	2.2
309.20645	6.5
309.27823	34.2
310.05386	1.5
310.23837	2.1
310.28250	3.5
321.72964	1.0
323.73993	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2787
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03929	2.5
55.01875	5.1
55.05260	2.2
55.05515	30.5
57.03432	5.3
57.07083	20.4
58.08225	1.5
59.04995	3.3
67.05168	2.8
67.05509	45.8
69.03429	6.3
69.06720	3.1
69.07073	48.3
71.04988	6.3
71.08641	12.1
71.25453	3.4
78.14944	1.6
79.05499	31.2
79.93974	1.5
81.03408	6.1
81.07061	100.0
82.07378	2.7
83.04990	7.0
83.08623	29.9
85.02907	4.8
85.06532	4.9
85.10175	5.9
91.05481	23.9
93.07054	41.0
94.74367	1.5
95.04926	8.8
95.08612	81.1
96.08943	2.2
97.02869	1.8
97.06532	6.8
97.10167	18.4
98.98409	1.8
99.08059	2.2
105.07038	24.5
106.69695	1.4
107.04970	3.9
107.08596	34.4
109.06509	7.6
109.10162	51.3
110.10495	2.6
111.04416	2.6
111.08083	6.3
111.11732	8.1
113.09725	1.9
116.98663	1.8
117.07008	3.8
119.04984	8.3
119.08582	18.0
121.10142	30.7
123.04462	2.3
123.08083	9.5
123.11709	25.7
125.09621	4.8
125.13269	5.5
127.03915	2.4
127.07564	3.0
129.07034	3.8
130.06541	1.7
131.08598	10.7
133.06485	2.8
133.10149	15.9
135.08060	2.7
135.11713	18.4
137.09590	5.1
137.13249	17.2
139.11177	6.4
143.08614	2.3
145.10143	5.2
147.04419	34.2
147.08080	2.7
147.11691	19.2
149.09628	6.8
149.13251	13.2
151.11197	4.5
151.14799	3.3
153.12759	4.5
156.06827	2.9
157.07536	2.1
157.10132	4.0
159.11720	3.9
161.09639	2.8
161.13264	10.6
163.11150	3.5
163.14842	8.8
165.09096	2.0
165.12801	5.8
167.10780	2.7
169.07648	3.2
169.12254	1.7
171.11644	2.3
175.11203	4.4
175.14807	3.0
177.12843	1.8
177.16389	2.4
189.16380	3.7
190.25235	1.6
191.17940	3.3
193.12296	3.4
202.07382	3.3
203.10686	2.5
203.17943	3.7
206.07312	2.9
211.12384	3.7
217.19572	2.8
219.13820	2.1
221.09515	1.8
223.13292	1.7
234.06721	6.0
235.20686	2.2
245.18878	2.2
247.24265	1.7
249.09105	6.7
251.07077	2.8
255.17387	4.0
257.12833	3.9
263.20154	1.6
266.09460	2.8
267.09491	2.0
273.18484	14.2
273.25784	17.0
274.26471	1.8
277.08609	11.8
278.09140	2.1
281.11710	4.9
291.19598	17.3
291.22702	2.3
291.23782	2.5
291.26703	16.2
292.19839	2.3
292.22858	2.0
294.08765	3.4
309.11343	19.8
309.20712	3.7
309.27899	32.1
310.12012	2.4
310.15466	51.4
310.23727	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.02995	0.8
55.05519	1.9
56.96563	0.5
57.03444	2.1
58.99597	0.8
60.05652	0.4
60.63454	0.3
63.68958	0.3
65.03925	0.3
67.05511	1.1
67.83871	0.3
68.05043	0.7
69.03436	1.5
69.07065	0.4
69.27213	0.4
69.27615	2.8
70.06595	27.2
71.01357	0.5
71.04639	0.4
71.04999	4.0
71.06914	0.3
72.05647	1.2
72.08157	22.3
72.93789	0.2
73.02918	0.9
73.08504	0.3
75.04487	1.9
75.20724	0.3
76.02232	1.4
77.02534	0.3
78.01816	0.5
79.05495	1.1
80.34126	0.3
80.62318	0.2
81.02969	0.3
81.03418	1.1
81.07070	1.4
82.06595	0.4
83.04980	2.3
84.04501	1.0
84.08164	0.6
85.02906	17.9
85.04845	0.4
85.88022	0.2
86.03193	0.3
86.07175	0.4
86.99056	0.3
87.04475	0.6
88.03995	0.7
91.05479	1.5
93.07040	0.9
95.04967	1.1
95.08607	0.9
96.08043	0.4
97.02893	1.3
97.07661	12.8
98.09702	2.0
98.97579	0.3
100.02213	0.3
105.07021	1.2
107.04975	0.4
107.08614	1.1
108.08122	0.6
109.02896	0.6
109.10147	1.3
110.09707	1.1
111.04428	0.8
111.08077	0.3
112.08733	17.5
113.09090	0.3
114.10294	100.0
115.10643	1.4
116.98712	0.3
117.07041	0.4
119.04954	1.2
119.08588	0.8
120.08112	0.6
121.10161	0.5
123.04406	0.4
124.03937	0.5
124.07610	0.9
126.03791	0.4
127.03914	0.9
129.05486	4.2
129.06958	0.4
130.05005	0.4
130.06546	0.9
131.06866	1.0
131.08537	0.3
131.12936	0.6
133.06490	0.6
133.10123	0.6
134.09676	0.7
134.99655	0.3
135.04494	0.4
135.08118	0.3
137.02382	0.5
137.04193	2.4
137.05945	0.4
139.05748	0.4
141.07033	0.3
145.05038	0.4
145.10100	1.4
146.06017	1.5
147.04420	3.9
147.06410	3.7
147.11707	1.0
148.07536	0.4
149.05981	0.3
150.12744	0.4
152.14352	8.7
153.12749	0.4
154.15976	0.3
157.14447	0.4
159.06383	0.5
159.11682	0.7
161.05984	1.1
161.13228	0.7
162.02196	0.5
162.12802	0.3
163.02530	0.5
163.03920	0.9
164.98476	0.3
165.07243	0.4
166.05063	1.4
166.08508	0.3
167.07001	0.6
172.04272	1.4
174.12827	0.4
175.07576	0.6
176.07074	0.7
177.05479	0.9
177.07408	2.1
179.04791	0.6
180.05234	0.4
184.06166	0.4
187.07475	0.5
189.05499	0.5
189.09241	0.3
189.12759	0.8
193.08688	0.5
194.16599	0.3
198.18536	2.8
203.07144	0.5
205.06755	0.3
205.08739	0.3
206.19052	3.1
211.19180	8.2
213.09140	0.3
217.08496	0.3
221.09950	0.7
223.07825	0.4
223.11571	0.5
229.08679	0.3
231.10327	0.3
232.20587	1.9
235.09714	0.4
237.02826	0.3
249.23222	0.6
250.21617	2.8
251.09200	0.4
261.11420	0.5
265.23877	26.8
266.12076	0.6
266.24310	1.4
273.11383	0.5
291.08533	0.7
291.12589	0.5
291.25455	4.1
307.08020	0.3
309.02484	0.4
309.14502	0.5
309.17990	0.7
309.26453	10.6
310.14807	3.9
310.18188	0.5
310.26639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03929	4.2
55.01868	7.6
55.05516	21.0
57.03431	5.6
57.07077	4.0
59.07195	2.1
64.87670	2.2
67.05505	43.6
69.03428	2.2
69.07061	21.5
70.56798	6.7
71.04998	4.7
71.08234	2.3
71.08633	42.5
79.05501	40.7
81.03427	12.0
81.07057	62.5
83.04996	18.2
83.08625	12.4
85.06565	4.4
90.40685	2.4
91.05484	22.5
91.24169	2.5
93.07052	49.7
95.04970	16.1
95.08619	35.0
97.06558	11.7
97.10168	10.1
99.08099	42.3
105.07028	16.6
107.04949	7.2
107.08600	34.3
109.06523	6.2
109.10161	13.6
111.04433	2.7
111.08062	4.9
117.07032	6.0
119.08592	16.8
121.10140	33.4
123.08054	7.7
123.11670	3.2
125.09648	7.2
129.06989	3.1
131.08574	9.5
133.10106	11.6
135.11705	36.9
137.09650	8.2
139.11163	4.1
143.08577	2.2
145.10121	7.9
147.08018	2.9
147.11690	9.2
149.09608	2.5
149.13329	13.8
151.11212	17.9
153.12784	4.8
157.10158	3.2
159.11676	3.8
159.55086	2.1
161.13278	13.1
163.11217	15.5
163.14792	3.6
163.74863	2.3
165.09100	2.9
167.10657	3.1
171.11719	3.1
173.13278	2.6
175.14957	2.9
177.12746	4.1
179.14326	100.0
180.14581	3.2
181.12282	3.4
185.13387	3.2
189.11208	4.6
193.12218	3.4
195.13864	3.2
221.15276	3.5
227.12735	3.7
235.13390	2.7
235.16896	4.6
241.19447	3.3
249.18567	2.8
259.20532	5.4
273.18521	6.5
277.21640	59.9
291.19556	22.4
291.22903	4.4
305.03665	2.5
309.20734	4.5
309.24289	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	5.8
55.01884	10.6
55.05515	31.1
57.03441	7.4
57.07078	6.8
57.23481	1.2
65.03932	3.8
67.05508	98.0
69.03431	8.1
69.07071	49.1
70.66280	5.3
71.01355	2.5
71.04996	11.8
71.08646	2.8
73.06566	1.4
79.05497	58.4
79.05962	3.1
81.03419	13.8
81.07061	100.0
83.04977	9.9
83.08612	12.8
85.02914	5.5
85.06543	5.3
91.05482	33.8
93.07051	57.6
95.04975	26.4
95.08610	66.5
97.02905	7.4
97.06540	11.2
97.10189	9.0
99.04489	4.0
99.08096	4.2
102.58115	1.4
103.05472	2.3
105.03400	1.4
105.07034	31.2
107.04948	19.1
107.08595	35.2
109.02869	2.1
109.06525	10.7
109.10161	63.6
111.04443	9.3
111.08092	8.2
111.11721	3.8
113.05986	2.5
115.05492	1.5
117.07022	9.6
119.04969	3.3
119.08585	23.9
121.06515	9.2
121.10147	29.0
123.04483	2.4
123.08081	24.2
123.11734	22.3
125.05993	4.4
125.09628	9.0
127.03857	1.6
127.07577	4.2
129.07028	6.9
131.08565	14.1
133.06496	4.2
133.10133	12.8
135.08051	10.5
135.11717	9.3
137.09618	14.7
137.13266	2.8
139.07570	3.4
139.11200	6.1
141.09129	2.0
143.07022	4.7
143.08646	6.6
145.06570	2.0
145.08595	4.3
145.10141	10.1
147.04428	16.9
147.08058	5.3
147.11687	15.9
149.09619	27.9
149.13269	7.9
150.09973	1.6
151.07532	8.5
151.11188	4.9
153.09126	6.0
153.12758	2.2
155.08522	2.8
157.10173	5.3
159.08116	2.4
159.11685	3.9
160.72482	1.3
161.09647	7.9
161.10831	1.5
161.13257	3.9
163.07545	3.1
163.11153	10.4
163.14854	2.8
165.09171	2.8
165.12755	8.3
167.10670	3.5
167.14366	2.0
169.10178	2.3
171.11734	5.1
173.09686	2.3
175.11191	12.9
177.12747	2.0
179.10669	3.0
181.10101	1.6
181.12390	1.4
185.09702	3.6
185.13324	2.0
187.11273	2.4
189.11292	3.3
189.12804	6.7
191.10658	3.2
193.12273	7.9
195.11673	1.8
196.98053	1.4
203.10696	4.9
205.12196	2.1
207.13850	1.5
209.11818	2.3
212.62207	1.4
221.11800	4.5
221.51418	1.3
223.13217	1.6
227.17961	5.0
234.06783	1.8
237.16373	2.1
245.19009	2.2
249.09007	2.9
255.17476	6.4
273.18515	29.7
274.18762	1.4
277.08624	3.9
281.11920	1.9
287.11676	1.8
291.08621	2.3
291.19543	29.7
291.26846	3.2
292.19824	2.4
309.11234	6.4
309.17935	5.9
309.21030	9.7
309.27780	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	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03933	4.8
55.01858	6.5
55.05506	21.1
57.03429	6.6
57.07056	5.6
59.04986	2.5
65.03936	2.8
67.05165	2.8
67.05503	38.4
69.03416	1.9
69.06719	1.9
69.07065	20.5
69.85276	6.2
69.85694	5.0
71.04970	4.9
79.05493	37.1
81.03403	5.2
81.06579	2.8
81.07054	55.3
83.04973	5.5
83.08619	10.1
86.58862	1.7
91.05479	47.7
93.07043	81.5
95.04968	53.5
95.08606	42.7
95.09121	1.1
97.06528	22.4
97.10148	4.1
103.05478	4.3
105.07032	81.1
107.04934	4.9
107.08593	37.1
109.06519	14.5
109.10153	21.4
111.08074	3.1
115.05437	2.7
117.07013	19.7
117.07776	3.2
118.96440	1.5
119.08578	63.0
121.06527	9.8
121.10143	100.0
122.10477	3.3
123.08074	11.5
123.11705	5.4
125.09615	3.1
128.06248	9.9
129.07010	13.4
130.07785	5.9
131.08574	40.6
132.09355	2.3
133.06519	3.6
133.07516	1.9
133.10130	43.4
135.08047	7.3
135.11723	12.3
141.06960	5.6
142.07800	16.7
143.08565	27.7
144.09315	8.8
145.06476	3.7
145.10118	49.2
147.08089	3.9
147.11705	14.6
149.09592	3.3
149.13158	1.8
151.11174	2.7
153.07040	2.1
154.07777	3.6
155.08568	7.5
156.09335	9.2
157.10120	33.3
158.10916	4.0
159.08061	4.0
159.11691	34.3
161.09633	8.6
161.13240	6.0
163.11189	5.3
167.08577	3.9
168.09297	3.3
169.10126	14.9
170.10924	4.3
171.11685	20.9
172.12463	2.0
173.13275	15.2
175.11110	3.1
175.14847	6.6
177.09190	1.9
179.08549	3.4
181.10130	4.5
182.10872	4.7
183.08138	2.4
183.11710	9.8
184.12433	1.9
185.09663	2.4
185.13223	10.4
187.11253	12.1
187.14803	15.8
189.12692	5.0
191.08707	2.2
193.10124	5.0
193.12257	5.2
195.11687	7.8
196.12415	2.3
197.13295	11.7
199.14801	9.7
201.12790	3.4
201.16344	3.5
206.10971	2.3
207.11775	3.7
209.13275	7.1
211.14856	6.2
213.16473	3.3
215.14331	3.5
220.12465	2.5
221.13222	4.1
223.14799	3.6
225.16357	4.9
234.14168	2.1
235.14856	5.2
237.16219	3.1
239.14383	2.3
239.17990	4.5
249.16382	2.4
253.16013	4.6
253.19514	2.6
261.16324	2.0
265.19583	3.3
273.18524	7.1
281.22635	7.7
291.19186	18.2
309.22125	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03943	5.2
53.98685	3.5
55.01872	13.2
55.05510	39.4
57.03437	7.3
67.05508	59.0
69.03408	4.7
69.07067	26.9
70.86818	7.8
70.87157	6.3
79.05492	46.4
81.03407	5.7
81.07065	77.9
83.01318	4.5
83.04969	13.7
83.08614	19.1
85.06540	5.4
91.05479	35.8
93.07050	44.4
95.04968	16.1
95.08601	31.9
97.06524	14.2
97.10165	12.0
105.07047	43.5
106.19402	3.5
107.04982	9.5
107.08612	38.4
109.06532	11.6
109.10163	41.3
111.04437	15.0
111.08076	11.3
117.07006	8.8
119.08597	14.5
121.06490	17.3
121.10159	19.9
123.04419	4.1
123.08116	11.2
123.11683	6.1
125.09657	11.0
129.07033	5.0
131.08589	13.4
133.06502	8.7
133.10136	60.0
135.08075	9.5
135.11732	10.7
137.09624	10.1
137.13370	4.5
139.07510	9.1
143.08598	7.8
145.06587	4.6
145.10132	16.9
147.08051	12.9
147.11726	7.3
149.09610	8.7
151.11151	30.2
157.09947	5.6
159.11629	5.2
161.09615	13.6
161.13330	4.7
163.11195	9.7
165.09146	5.4
169.12245	6.4
171.11641	5.9
175.11208	7.6
189.11177	9.0
189.12712	5.8
193.12315	12.9
203.14125	5.1
227.17967	4.5
239.56412	4.6
245.19005	17.2
245.69888	4.0
255.17636	5.3
263.20004	20.9
273.18475	41.0
291.19528	100.0
292.20032	6.0
309.20511	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	2.2
54.97326	1.3
55.01867	6.4
55.05271	1.5
55.05517	22.2
67.05517	23.5
69.03424	2.3
69.07077	14.3
69.32632	1.2
69.83039	8.1
71.04971	2.6
71.08617	1.6
79.05505	18.3
81.03409	3.4
81.07065	31.5
83.04982	4.6
83.08630	12.6
85.06549	2.2
91.05482	13.0
93.07053	15.3
95.04974	7.4
95.08613	10.4
97.06543	4.3
97.10187	19.0
105.07030	13.8
106.91270	1.3
107.04958	3.2
107.08598	13.5
109.02825	1.6
109.06501	4.9
109.10165	10.5
111.04451	2.9
111.08054	2.5
117.07030	5.0
119.08607	7.6
121.06509	4.4
121.10131	5.8
123.04485	2.5
123.08087	6.4
125.09628	13.0
129.07001	2.7
131.08557	5.2
133.06467	3.3
133.10158	8.5
135.08025	2.8
135.11696	3.3
137.09605	3.0
139.07484	2.7
143.08556	2.4
145.10123	3.8
147.08037	5.3
147.11720	2.7
149.09644	3.3
151.07607	1.5
151.11195	4.2
153.09108	1.5
155.08614	1.5
157.10114	2.2
159.11681	2.9
161.09647	3.3
161.13220	1.9
163.11230	3.9
165.09123	3.4
171.11690	3.1
175.11214	3.2
177.09128	1.5
179.10716	1.6
185.13199	1.6
189.11247	8.0
193.12288	7.6
199.11177	2.1
205.75661	1.5
223.13393	6.9
245.19133	2.4
253.97218	1.6
263.20099	2.6
273.18524	15.9
291.19568	100.0
291.87213	1.4
292.19992	4.8
309.20578	10.4
309.24033	3.1
314.52161	1.7
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
55.01870	15.0
55.05512	25.5
57.03414	3.2
65.05128	3.0
65.22353	3.3
67.05506	45.5
69.03408	4.6
69.07061	17.7
69.88179	5.3
69.88594	14.8
71.04974	5.4
79.05495	34.0
81.07061	82.1
83.04973	19.1
83.08616	11.3
85.02872	3.3
85.06607	3.6
91.05486	29.9
93.07046	33.3
95.04961	11.1
95.08625	17.4
97.06511	9.1
97.10174	23.8
98.21437	3.8
99.04481	3.4
105.07043	29.1
107.04933	8.5
107.08601	32.3
109.06518	7.9
109.10162	34.8
109.27832	2.8
109.77595	3.5
111.04446	20.4
111.08083	12.2
117.06982	11.2
119.08606	14.7
121.06496	7.2
121.10136	12.3
123.08077	18.0
125.09670	16.9
129.07001	8.8
131.08572	15.3
133.10144	38.7
135.08002	5.7
135.11674	11.8
137.05975	3.8
137.09599	9.2
143.08601	5.5
145.10107	14.2
147.08035	10.5
149.09599	6.7
151.11172	18.9
153.09068	4.7
153.12784	6.7
159.11635	4.1
161.09610	6.2
161.94315	3.1
163.11174	12.4
165.09097	7.6
167.10719	2.9
169.12154	5.3
171.11734	6.4
175.11118	4.4
181.12239	9.1
189.11220	22.3
191.10632	10.3
193.12149	7.6
209.11723	3.9
215.12766	3.6
223.13272	7.5
227.12790	7.9
245.19055	7.1
255.17319	3.5
263.20044	7.0
273.18454	29.8
291.19522	100.0
292.19971	6.9
309.20529	23.5
309.89236	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03948	6.4
55.01859	7.3
55.05505	24.9
57.03446	18.3
67.05506	36.5
69.03435	17.2
69.07066	13.8
70.20708	7.8
70.21115	5.5
71.04990	5.8
71.08617	8.7
76.16718	2.7
79.05064	3.3
79.05493	50.4
81.03409	10.2
81.07059	93.1
83.04976	6.5
83.08621	16.8
85.06522	9.2
85.10638	3.0
91.05481	33.5
93.07040	46.1
93.72460	2.3
95.04961	16.3
95.08607	32.5
97.02866	3.0
97.06522	7.2
97.10162	7.4
98.20757	3.5
99.04564	2.2
99.08116	6.3
105.07029	29.1
107.04958	51.1
107.08608	21.9
109.06521	55.7
109.10145	10.3
111.04468	6.1
111.08070	5.1
113.05960	4.7
117.07021	11.6
118.69154	2.3
119.08565	26.1
121.06493	10.3
121.10134	17.7
123.04423	13.9
123.08076	10.0
125.09634	9.7
129.07005	7.2
131.08557	20.0
133.06482	7.0
133.10135	12.0
135.08057	11.6
135.11700	5.6
137.09657	4.5
143.08572	7.4
145.10078	14.0
147.08078	9.2
147.11652	5.6
149.09592	12.4
157.10143	7.9
159.08089	2.7
159.11748	5.6
161.09627	7.7
161.13248	5.4
163.11136	8.0
165.09097	4.3
171.11650	5.2
173.09587	4.3
173.13226	2.8
175.11197	5.8
181.12291	5.0
183.11745	3.1
187.14841	5.8
189.11206	5.5
189.12764	4.8
191.10664	7.4
193.12250	100.0
194.12660	4.5
205.15967	3.0
207.13795	3.9
217.15866	6.8
221.15323	3.1
237.16219	2.7
245.19017	7.6
249.14850	10.1
255.17393	7.6
263.20050	5.6
273.18460	28.2
289.62823	2.8
291.19553	64.7
292.19992	4.9
309.20572	16.5
318.02643	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01866	11.2
55.05527	18.3
67.05508	28.5
69.03428	3.3
69.07075	16.1
70.86464	9.9
71.05010	3.6
76.94405	3.2
79.05499	35.8
80.81715	2.8
81.03416	5.5
81.07059	59.4
83.04983	21.2
83.08607	15.2
85.02907	9.6
91.05487	17.2
92.49166	3.4
93.07054	30.1
95.04958	12.5
95.08604	12.5
97.06559	6.1
97.10167	9.4
105.07064	17.4
107.04985	6.0
107.08601	14.7
109.06512	11.3
109.10158	9.2
111.04459	34.2
111.08080	13.4
113.24841	3.1
117.07017	11.8
119.08608	26.2
121.06535	5.7
121.10161	12.9
123.08078	7.7
125.09648	7.4
128.25053	3.3
129.06975	7.2
131.08572	10.7
133.06436	3.2
133.10146	6.4
135.08063	6.7
135.11700	11.0
137.09616	7.0
137.58351	3.1
143.08559	4.7
145.10197	16.0
147.08009	9.8
147.11656	5.2
149.09630	8.6
153.12752	10.0
157.10176	5.3
159.11760	4.8
161.09587	7.0
163.11192	20.2
165.09166	4.5
173.09695	4.1
175.11060	3.8
181.12238	19.2
189.11180	7.6
191.10649	14.1
193.12260	5.3
209.11734	3.6
223.13339	5.0
226.42490	3.4
227.12766	9.9
249.14815	5.2
252.37488	3.4
262.55106	3.2
273.18515	25.4
291.16519	5.9
291.19571	100.0
292.19913	5.4
309.20624	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
50.44633	3.3
53.03942	5.9
55.01857	15.0
55.05513	41.1
57.03435	26.7
65.89020	2.7
67.05176	4.9
67.05504	67.7
69.03424	11.9
69.07069	31.3
71.04980	11.2
71.14850	7.6
71.15195	4.2
77.03943	3.4
79.05490	59.3
80.79778	3.4
81.03416	21.8
81.07059	93.7
82.07378	4.0
83.04990	18.3
83.08624	26.5
85.02908	5.5
85.06534	11.8
91.05477	51.1
93.07043	62.7
95.04965	31.7
95.08608	69.2
97.02883	6.0
97.05908	4.3
97.06533	55.2
97.10164	19.3
99.04453	3.9
99.08106	31.3
105.07037	43.4
107.04930	14.1
107.08598	38.5
109.06501	25.5
109.10167	36.9
111.04432	14.5
111.08059	11.6
113.05994	8.5
115.07559	9.4
117.07013	18.8
119.04935	7.9
119.08574	26.9
121.06487	14.7
121.10148	22.2
123.08058	20.3
123.11686	9.1
125.06044	5.0
125.09605	15.1
127.07526	13.0
129.07002	11.8
131.08577	32.6
133.06522	8.7
133.10139	33.4
135.08029	24.0
135.11670	10.3
137.09624	11.8
143.08574	9.4
143.12859	3.5
145.10065	22.6
146.07457	3.4
147.04372	15.3
147.08046	10.0
147.11708	14.4
149.09604	12.8
149.13254	7.0
151.11189	11.4
153.09119	5.2
157.10097	7.9
159.11734	10.4
161.09625	11.0
161.13168	5.6
163.11165	8.8
164.64952	3.5
165.09135	8.0
169.10088	3.7
171.11673	4.9
173.13188	8.0
175.11177	9.4
177.12711	3.6
179.10680	3.7
181.12314	3.7
183.11656	6.3
187.14853	5.5
189.11189	12.3
189.12737	3.4
193.12276	8.6
199.14865	5.1
201.12755	7.6
213.16403	3.8
217.15865	14.8
219.13840	5.2
221.15393	4.9
223.13202	6.3
233.15324	11.4
245.18925	11.2
251.16438	12.7
255.17352	4.7
263.20071	10.8
273.18481	45.0
277.08545	7.6
291.19547	100.0
292.19739	6.6
309.11154	7.5
309.20596	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.1
55.01871	1.1
55.05502	3.4
57.03442	10.8
59.05003	1.3
61.02921	2.5
67.05495	1.7
69.03427	4.7
69.07068	1.9
69.12654	0.8
70.06590	2.9
70.55220	2.3
70.55630	1.7
71.01349	1.8
71.04996	25.4
72.08156	1.2
73.02914	5.4
75.04485	13.5
75.34696	0.8
76.02209	1.5
77.89253	0.9
79.05490	1.6
81.03426	4.7
81.07055	1.8
82.16352	0.8
83.05009	5.8
83.08615	1.4
85.02910	100.0
87.04445	2.7
91.05480	3.4
91.86624	0.9
93.07030	1.5
95.04980	1.2
95.08600	2.0
97.02917	5.9
98.97592	1.6
99.04469	1.9
101.06014	1.3
103.03933	1.8
105.07006	1.4
106.48716	0.9
107.08607	1.4
109.02871	3.4
109.10130	1.6
111.04431	3.9
114.10275	4.6
119.04956	2.9
119.08572	1.2
121.10149	1.5
123.04459	1.4
127.03905	3.8
129.05481	27.3
131.04901	1.0
132.04169	0.9
137.05991	1.6
145.04941	1.6
146.25227	1.1
147.04436	8.9
147.06514	15.5
151.07527	1.7
152.07053	2.1
159.08046	1.1
161.06010	1.0
166.04987	1.3
167.07071	1.2
171.06497	1.3
174.06737	1.2
175.07549	2.4
189.09073	2.3
191.07109	1.0
217.08655	1.2
234.06926	0.9
255.08807	1.0
291.08640	1.3
291.12186	1.8
291.19623	1.1
294.08701	1.1
309.11130	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70045	1.4
53.03943	1.7
55.01871	1.9
55.02988	2.0
55.05515	3.6
56.96558	4.5
57.03433	3.7
58.99570	1.4
67.05500	3.7
67.68185	1.1
69.03425	4.3
69.07058	1.8
70.06239	2.2
70.06596	26.8
70.82594	1.1
71.05003	2.5
71.14574	1.3
71.14898	1.5
72.08160	25.3
74.06081	2.7
76.02223	7.6
79.05507	4.1
81.03423	5.2
81.07066	4.1
83.04996	3.0
84.04514	4.1
84.08143	2.3
85.02899	10.4
85.04848	2.1
91.05500	4.4
93.07052	2.8
95.04972	6.7
95.08614	2.8
97.02914	3.1
97.07656	12.4
98.09701	3.7
98.97595	4.6
98.98472	1.8
99.04458	1.5
103.03990	1.4
105.07039	4.8
107.04957	1.8
107.08588	2.0
109.02885	3.7
109.10201	1.7
111.08052	1.8
112.08724	12.8
114.10301	100.0
115.05467	4.4
116.10739	5.3
116.98645	7.7
117.07006	2.8
119.04947	2.5
119.08576	3.6
120.08124	2.2
121.06533	1.8
121.10139	2.0
123.04417	4.2
124.07602	2.6
127.03945	1.9
129.05556	1.4
129.07028	3.8
131.04912	2.3
131.08559	2.5
133.06534	2.6
134.99655	5.8
135.11725	1.4
137.02380	4.3
137.06006	1.3
138.09125	1.5
140.07051	1.4
141.06996	2.9
142.07745	1.4
143.04921	2.8
143.08636	2.0
144.05693	2.0
145.06479	4.4
145.10149	1.9
147.04424	11.5
147.06467	1.6
147.08034	2.9
152.14354	4.2
155.08548	2.6
155.21606	1.3
156.05641	2.3
157.06519	3.4
159.04364	1.4
159.08057	2.8
161.06020	7.0
163.11174	1.4
165.06975	1.6
166.05055	1.3
167.06992	3.9
167.08505	2.3
169.06506	2.5
170.07277	2.7
171.08073	3.1
171.95154	1.3
173.06001	4.9
173.09587	1.7
175.07587	9.0
177.05450	6.0
177.06903	1.2
180.05183	1.6
182.05017	2.3
185.09669	2.3
187.07536	11.3
188.08365	1.5
189.05458	4.0
191.07013	2.5
192.07800	1.8
193.08606	2.8
197.06026	1.7
198.06747	1.7
198.18510	1.9
199.07541	2.5
201.09100	3.1
203.07175	3.0
203.10728	1.7
205.08640	3.8
207.06508	1.7
207.10152	6.4
207.13756	2.2
208.02899	15.2
211.07460	3.1
211.19150	4.7
213.09129	5.4
217.08669	3.5
217.20924	1.5
219.10219	3.4
221.08078	4.2
223.07709	2.3
223.09589	6.6
229.08647	3.3
230.09311	1.4
231.06686	2.0
231.10292	7.1
235.09668	7.4
235.13359	3.7
241.08595	3.8
245.11823	4.2
247.09747	2.4
250.21712	2.3
251.09213	5.7
261.11359	1.5
265.23880	16.3
273.11252	10.6
291.08994	2.7
291.12259	21.5
309.07404	4.6
309.13364	7.4
309.17612	3.0
309.21658	2.1
309.22806	2.1
309.26443	11.3
319.97525	1.2
327.14734	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83787	0.5
53.03958	0.8
53.83849	0.5
55.01881	0.9
55.05509	3.1
56.96562	1.1
57.03179	0.9
57.03441	10.1
59.04988	1.1
61.02920	1.8
67.05489	1.1
69.03442	3.5
69.94953	2.9
70.06585	1.9
71.01350	2.1
71.04999	25.8
72.08163	1.0
73.02927	5.4
73.06563	0.5
75.04491	12.7
77.20529	0.4
79.05495	1.2
80.21723	0.6
81.03422	2.3
81.07042	0.7
83.04980	5.1
83.82482	0.6
85.02911	100.0
86.03268	0.6
86.06069	0.7
87.04503	2.5
91.05476	3.7
93.07037	0.9
95.04429	0.5
95.04976	2.3
97.02891	3.7
97.06519	0.5
98.97588	2.1
99.04471	1.6
101.06039	1.7
103.03940	1.2
103.05430	0.6
105.07037	1.5
107.04978	1.2
107.08609	0.8
109.02896	1.5
111.04479	3.2
112.08689	0.8
114.10304	6.2
115.05472	1.9
116.98643	1.4
117.07012	1.4
119.04938	0.6
119.08560	1.1
122.56300	0.5
123.04462	2.1
124.07639	0.8
127.03939	4.1
128.06271	0.9
128.98648	0.6
129.05487	25.5
129.07033	1.8
131.04930	0.8
131.08563	1.2
133.06526	2.7
141.07024	1.6
142.07774	0.7
143.08551	0.5
145.05003	1.6
145.06506	1.9
145.10185	0.7
146.99690	1.0
147.04495	3.5
147.06529	17.1
147.08003	1.4
153.01862	0.7
153.07027	1.0
155.08542	0.6
157.06534	1.0
159.08006	1.1
160.05156	0.6
161.06000	6.4
163.11212	0.8
165.07613	0.9
167.07080	1.7
169.06496	1.1
170.07262	0.8
171.06657	0.6
171.08003	1.0
173.06000	1.4
175.07623	3.2
177.05531	1.5
178.06329	0.7
183.08099	1.3
185.05988	0.6
185.09680	0.7
187.07544	4.0
189.05569	3.0
189.09125	1.0
191.07051	1.2
192.07848	1.0
193.08640	3.1
195.08005	0.5
195.42191	0.5
197.06052	0.6
198.06715	1.0
199.07570	1.3
201.09128	1.2
203.07062	1.3
205.08646	1.7
207.03316	0.6
207.06441	0.6
207.10188	2.7
211.07562	1.3
211.22333	0.5
213.09187	1.3
217.08626	1.6
219.10240	1.8
221.08089	5.3
223.09654	3.3
229.08714	1.2
231.10185	3.4
233.11850	0.7
235.09697	3.2
235.13307	1.3
237.02879	1.6
241.08670	1.0
245.11842	1.5
251.09209	2.1
255.08684	1.1
261.11343	2.9
265.23965	1.0
265.89063	0.5
273.11282	4.2
279.12347	2.2
291.12277	7.5
309.09464	0.8
309.17215	1.1
327.07504	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33947	0.6
52.63166	0.5
55.01882	1.0
55.05511	2.0
56.96568	0.9
57.03442	10.1
59.04996	1.6
61.02923	2.0
67.05489	0.7
69.03434	4.0
69.07090	0.6
69.97121	2.8
70.06588	1.3
71.01349	2.2
71.04594	1.2
71.04996	24.9
72.08144	1.1
73.02917	5.3
73.50253	0.5
75.04483	12.1
79.05493	0.9
81.03423	2.1
81.07074	0.6
83.04991	4.8
85.02908	100.0
86.03245	0.6
86.06087	0.6
86.35020	0.5
87.04480	2.7
91.05484	3.0
95.04971	2.6
97.02901	3.9
97.07620	0.8
98.21426	0.7
98.97596	1.6
99.04464	1.7
101.06013	1.4
103.03957	0.7
105.07027	1.2
107.04961	0.9
107.08628	0.6
109.02874	1.7
109.06540	0.5
111.04446	3.3
112.08742	1.0
114.10310	4.9
115.05451	1.3
116.98607	1.2
117.07052	1.2
119.04966	0.7
123.04448	1.8
127.03911	3.2
128.06245	1.4
128.98575	0.7
129.05489	24.4
129.07045	1.3
131.08603	0.7
133.06500	2.3
135.08142	0.5
141.06989	1.3
143.04936	0.9
143.08537	0.7
144.05797	0.8
145.04967	1.4
145.06508	1.0
146.99693	0.6
147.04494	3.6
147.06531	15.7
147.07954	0.8
147.40244	0.5
153.01805	0.6
153.05583	0.5
153.07011	1.0
155.08554	0.6
156.05760	0.5
157.06512	1.0
159.08087	1.5
160.05348	0.5
161.05986	5.0
165.07472	0.9
167.07101	1.6
169.06430	0.5
170.07306	1.0
171.08130	1.1
173.05984	1.4
174.06735	0.7
175.07585	2.0
177.05478	1.0
183.08099	0.8
185.05959	0.8
185.09657	1.5
187.07585	3.6
189.05499	2.3
189.09251	0.5
191.07060	1.2
193.08647	2.0
199.07588	0.7
201.09167	0.8
205.08649	1.2
207.10243	1.8
211.07591	0.7
213.09149	1.5
215.07193	0.8
217.08607	1.2
219.01825	0.8
219.10229	1.4
221.08105	3.6
223.09663	2.4
225.04588	0.6
229.08638	1.2
230.09319	0.8
231.10167	2.9
233.11859	1.0
235.09715	2.2
235.13268	1.2
237.02957	1.2
241.08566	1.2
245.11780	1.4
249.11368	0.6
251.09288	1.7
261.11243	2.5
265.10843	1.3
273.11224	3.1
279.12408	2.0
291.12317	5.0
309.17291	1.0
327.07773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
56.05013	0.5
57.03426	2.1
57.07063	0.5
63.02697	0.7
67.05495	1.1
68.05022	1.5
69.03423	1.5
70.06565	1.2
71.04983	1.4
71.40729	0.7
71.41061	0.7
81.03436	1.0
81.07056	1.1
84.04519	0.8
84.08136	1.4
85.02908	14.1
85.06540	0.6
90.03421	0.8
91.05476	1.0
93.04530	0.9
93.07061	0.7
95.04959	1.7
95.08616	0.5
96.04518	0.5
97.02872	1.3
98.98483	0.6
99.04463	0.6
103.05451	1.6
105.07038	0.5
107.04916	0.8
109.02881	0.7
113.06004	4.7
116.07121	0.5
121.28559	0.5
123.04426	1.9
127.03962	0.9
129.04478	1.8
130.06511	2.1
131.04922	1.3
131.07019	5.8
132.04445	0.6
134.06065	0.7
136.03947	53.2
137.02353	0.9
139.03870	0.9
140.04967	2.0
141.04387	0.7
146.06026	0.6
146.09435	3.8
147.04486	2.8
147.06473	1.1
148.03897	4.1
149.02348	1.2
149.06013	3.2
150.05450	0.7
154.05052	0.8
157.03966	1.3
157.07593	0.7
158.06039	2.3
162.05463	0.5
168.04477	0.6
175.05031	1.4
175.06322	0.8
175.08667	1.2
176.07065	6.0
177.07420	0.9
178.05084	0.6
185.07220	0.7
186.05539	2.5
192.06635	0.8
193.12312	0.6
203.08162	100.0
204.06802	0.5
204.08415	2.6
220.06046	29.0
221.06401	0.6
247.07164	15.4
248.07518	0.7
249.08696	1.3
273.12354	0.5
291.09164	0.7
291.19574	1.0
294.74121	0.5
309.02716	0.9
309.09238	4.5
309.14667	2.1
310.09149	3.0
330.35388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05511	1.0
56.96567	0.6
57.03430	1.0
57.07067	0.6
59.89701	0.3
65.03939	0.9
65.68850	0.3
67.05493	1.0
67.32616	0.3
69.03432	4.5
69.07069	1.5
70.06594	0.7
71.04989	0.8
71.60108	0.5
72.08133	0.4
73.02918	0.8
78.13290	0.3
79.05460	0.6
79.37408	0.3
81.03423	12.0
81.07066	3.1
83.04962	0.8
83.08607	0.9
85.02907	4.7
91.05484	9.9
93.07036	1.1
94.65615	0.3
95.04977	0.8
95.08607	1.5
97.02890	1.7
97.10136	0.3
98.97583	1.0
99.04446	1.7
100.11264	0.5
101.06002	0.3
102.76353	0.3
103.05495	0.4
105.07016	0.9
107.04935	0.4
107.08593	0.7
108.86970	0.3
109.02886	5.0
109.06557	0.4
109.10175	1.1
109.11073	0.3
110.97601	0.4
111.04396	0.4
111.08108	0.8
114.10336	0.7
115.05396	0.3
116.98614	0.8
118.04063	0.3
119.04947	23.5
119.08604	0.7
120.05238	0.6
120.08093	0.5
121.06532	0.3
121.10142	0.6
123.04458	0.5
123.08073	0.4
123.11705	1.1
127.03926	1.5
131.04918	0.4
131.08574	0.3
133.10112	0.4
134.99704	0.4
135.08064	0.4
135.11658	0.4
137.02351	0.3
137.05925	0.5
137.13228	0.3
139.03877	0.3
145.02919	0.3
145.04921	0.3
145.10178	0.7
147.04411	100.0
148.04791	2.2
151.03870	0.4
155.01003	0.4
159.11716	0.4
163.11246	0.5
165.05475	4.5
165.12787	0.3
169.05006	0.4
175.03909	1.2
177.00735	0.4
177.05458	0.6
181.04938	0.6
207.06548	2.2
208.06931	0.4
216.01608	0.3
219.01736	0.5
237.02734	0.7
261.02930	0.7
263.10257	0.3
273.18582	0.4
277.08810	0.6
281.11679	0.6
291.08621	14.4
291.19580	1.0
292.08987	0.4
309.09604	1.9
309.28082	0.3
311.49713	0.3
326.35117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01866	1.0
55.05508	2.7
56.96569	0.8
57.03186	0.7
57.03443	9.5
59.05000	1.5
61.02926	2.3
61.57574	0.3
67.05515	1.5
69.03434	3.6
69.07078	0.7
70.06598	1.3
71.01357	2.4
71.01672	0.3
71.04998	24.7
71.59665	0.5
72.08152	0.5
73.02921	5.4
74.26717	0.4
75.04485	14.2
76.02238	0.6
79.05499	0.8
79.12460	0.4
81.03421	2.9
81.07072	1.0
83.04987	5.8
84.04495	0.6
85.02908	100.0
86.03250	1.0
86.06057	0.6
86.09695	0.5
87.04479	2.5
91.05486	1.0
93.07102	0.7
95.04963	1.2
95.08617	1.1
97.02893	4.5
97.06533	0.9
98.97581	1.1
98.98458	0.5
99.04465	1.6
101.06024	2.0
103.03971	1.0
105.07051	0.7
107.08617	0.6
109.02892	2.6
109.06506	0.6
109.10162	0.8
111.04474	4.1
113.05969	0.5
114.10309	2.6
116.98629	1.1
119.04939	1.1
119.08601	0.8
121.10138	0.5
123.04468	0.8
124.07585	0.7
127.03924	4.2
129.05492	24.5
134.99693	0.5
137.05972	0.8
139.03917	0.6
145.04985	1.7
147.04488	4.9
147.06519	16.5
149.06001	0.5
152.07086	1.2
153.05473	0.6
159.06596	0.5
159.08102	0.4
161.05994	0.5
161.09654	0.5
164.98337	0.4
165.05496	0.5
165.07626	1.3
171.06557	1.0
171.08034	0.6
201.09296	0.5
203.07008	0.6
207.02739	0.4
207.06541	0.4
225.07634	0.4
235.02452	0.6
235.13231	0.5
237.02921	0.5
277.08743	0.5
291.08685	0.7
291.12299	0.4
291.23157	0.5
309.05029	0.7
309.11432	1.6
327.14694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.96566	0.4
57.03431	1.3
58.99586	2.2
59.46248	0.4
60.04531	0.9
60.16455	0.4
69.03439	1.0
70.04092	1.0
70.06593	1.0
70.71131	0.4
70.97355	1.0
71.05000	2.3
71.58482	0.4
73.02927	0.9
75.04504	0.9
76.02232	14.1
76.04018	1.8
81.03410	0.6
83.04980	0.6
84.04506	8.2
84.04967	0.9
85.02906	7.4
86.09712	1.0
87.00824	1.6
88.69144	0.4
91.05455	0.6
97.02917	0.7
112.84401	0.4
116.01698	2.9
116.98619	0.5
120.08108	6.1
123.04314	0.5
127.03960	0.7
128.12050	0.5
128.24237	0.4
129.05504	1.7
130.06529	68.8
131.06856	2.2
132.04453	14.2
139.03914	1.3
140.04237	0.6
141.04834	0.5
141.56458	0.5
142.03265	1.3
144.01138	1.6
146.06041	1.1
147.04411	1.2
147.06490	1.2
148.07578	24.1
158.06020	27.2
159.06337	1.0
162.02199	6.1
176.07072	100.0
176.91321	0.5
176.96236	0.5
177.07393	3.6
179.04858	6.7
179.06389	0.5
204.06567	12.8
205.06657	0.5
208.02847	1.6
222.07617	27.7
223.07939	0.9
225.74966	0.5
233.05872	1.5
233.80894	0.4
272.05557	1.5
290.06549	1.3
308.08838	1.0
308.14868	0.7
309.07629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2221
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.67887	0.3
55.01875	0.6
55.05502	1.3
57.07064	0.5
60.76132	0.3
62.44997	0.3
66.04733	0.3
67.05488	1.6
69.07061	1.2
70.04064	0.9
70.18944	0.8
71.08617	0.4
79.05491	1.9
81.03394	0.5
81.07056	3.7
82.07355	0.3
83.08610	0.7
85.10226	0.3
91.05482	1.4
93.07038	1.0
94.04198	1.7
95.04958	0.8
95.08612	1.3
97.06535	0.5
97.10175	0.7
98.20799	0.3
105.07032	0.6
107.04961	0.9
107.08598	0.6
109.06542	0.6
109.10146	0.5
111.04411	0.5
114.09213	0.3
117.07001	0.3
119.08601	0.8
122.03651	5.3
123.08081	0.8
123.70040	0.3
125.09626	0.4
131.08528	0.5
133.10129	0.5
135.08026	0.4
135.11682	0.3
137.05981	100.0
137.13255	0.5
138.06311	3.1
139.03900	0.3
146.07147	0.3
147.04459	0.4
149.09628	0.3
163.11137	0.5
172.16968	1.2
182.11888	0.3
184.16954	2.8
189.11205	0.4
193.12267	1.9
206.25471	0.3
224.25638	0.3
273.18503	0.8
290.18219	1.0
291.19608	2.9
291.22708	0.5
298.55722	0.3
301.36395	0.3
308.22296	0.9
309.20810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03936	4.5
54.35950	1.8
55.01876	4.9
55.05509	24.9
56.96564	22.2
57.03434	4.7
57.07071	7.6
59.04977	2.2
67.05168	3.2
67.05505	37.2
69.03424	7.4
69.07066	36.8
69.37488	17.1
69.37891	3.9
70.04076	4.5
70.06610	2.3
71.04991	6.6
76.02223	6.0
79.05495	22.8
81.03430	11.8
81.07059	100.0
83.04995	7.8
83.08628	14.6
84.04497	5.3
85.02901	3.4
85.06544	5.2
91.05476	20.7
93.07043	39.2
95.04969	20.3
95.08605	71.9
96.08920	3.3
97.02870	2.9
97.06538	10.2
97.10174	10.0
98.97589	6.1
98.98460	3.0
105.03430	2.0
105.07032	22.7
107.04964	5.2
107.08596	37.7
109.02885	8.0
109.06529	6.7
109.10158	49.8
111.04443	2.1
111.08072	6.6
111.11726	7.8
111.42643	2.1
116.98660	4.8
117.07052	4.0
119.08586	19.7
121.02884	4.9
121.06512	19.1
121.10146	27.1
123.04487	2.3
123.08099	5.3
123.10847	2.6
123.11711	30.2
125.09630	4.3
131.04893	6.1
131.08559	6.4
132.04495	2.7
133.10138	11.1
135.04419	2.2
135.08044	5.8
135.11717	16.6
137.06012	4.1
137.09653	5.5
137.13249	8.9
139.03911	26.1
139.11194	5.7
143.08572	2.9
145.06497	3.2
145.10098	4.5
147.04398	2.9
147.11707	6.3
149.05972	3.2
149.13280	19.2
151.07584	3.0
151.11179	4.2
153.12764	3.0
159.08026	3.4
159.11713	4.7
161.01218	3.4
161.09647	4.4
161.13277	6.9
163.03879	12.3
163.07608	2.5
163.11159	2.2
163.14819	8.5
165.05444	3.3
165.09152	1.9
165.12723	5.3
173.13228	3.8
175.14827	5.8
177.05496	7.4
177.16374	3.2
179.04916	4.3
179.10675	2.9
179.14285	3.0
181.04912	2.8
181.12259	2.3
187.14819	3.7
189.09154	2.2
189.16365	3.9
191.17969	2.2
201.00667	4.5
203.17882	1.9
205.12247	2.1
215.18007	3.6
219.01816	3.1
221.01227	6.7
222.02010	4.2
229.19395	2.3
231.07191	2.0
237.02866	2.3
238.01617	5.7
239.02373	2.3
240.03021	2.6
241.12814	2.6
245.22740	3.1
247.02541	2.0
250.01483	12.9
253.03835	4.1
255.81602	2.4
256.02548	5.4
263.23740	2.3
265.03973	5.6
265.57184	2.1
267.08783	4.2
267.11230	2.7
268.02536	7.0
271.04803	3.1
271.16962	4.8
271.24255	6.9
275.04828	3.9
283.04907	25.0
285.10004	9.4
285.12170	6.8
289.17993	11.3
289.25229	12.5
291.03729	4.7
301.06033	11.2
306.06467	2.9
307.08368	3.6
307.19193	8.0
307.22910	3.8
307.26334	38.9
308.01685	2.1
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	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03945	2.1
55.05266	1.3
55.05512	18.4
56.06717	1.2
56.96544	1.4
57.03436	1.8
57.07068	4.3
65.03932	1.9
67.05506	33.0
69.03439	2.8
69.07068	29.6
70.06572	1.7
70.86432	2.5
70.86799	1.0
71.04980	6.6
71.08631	2.1
72.08152	1.5
76.02227	2.0
79.05492	17.5
81.03384	1.0
81.07059	100.0
83.04979	4.1
83.08610	12.6
84.04517	1.2
85.02898	1.6
85.06532	2.1
89.44747	1.1
91.05476	11.8
93.07047	29.7
95.04969	7.8
95.08607	80.9
97.06535	6.1
97.10156	8.1
99.08108	1.6
105.07045	13.3
107.08601	25.3
109.06492	2.4
109.10157	45.6
111.08085	3.8
111.11716	3.5
113.09646	1.7
116.98598	1.5
119.08573	10.2
121.10149	21.9
123.11711	22.4
125.09583	2.6
127.11201	1.4
131.08508	1.9
132.10161	1.3
133.10112	8.0
135.11688	17.0
137.13278	8.7
139.03879	4.2
139.11171	1.9
145.10117	3.7
147.11707	9.4
149.13248	18.1
151.11194	1.9
151.14873	1.9
153.12744	1.7
159.11684	3.6
161.13254	7.3
163.03911	2.5
163.14832	6.0
165.12790	3.0
173.13268	1.9
175.14821	4.4
177.05505	1.6
177.16399	5.6
179.04910	1.8
179.14337	1.6
179.17992	1.5
189.16408	2.4
191.18013	3.2
201.16382	2.2
203.17958	1.5
215.17900	1.4
263.23773	1.5
271.24274	5.3
279.07040	1.1
289.18039	1.6
289.25183	11.7
307.26398	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	307.2633
Annotation	Crinitol
Peak:m/z	Relative Intensity
53.03941	1.3
55.01873	1.7
55.05515	19.8
57.03435	2.7
57.07080	6.8
62.38435	1.0
65.03934	1.6
67.05508	35.2
67.10469	1.1
69.03439	1.5
69.06729	2.0
69.07071	28.6
70.06589	1.2
70.12069	3.5
70.12479	2.2
71.04977	3.8
71.08619	1.3
79.05498	17.5
81.07061	100.0
81.19883	1.1
83.04974	4.4
83.08614	14.8
85.06532	5.1
91.05486	9.2
92.05787	1.1
93.07045	30.3
95.04986	6.9
95.08611	79.1
96.08939	1.6
97.06513	4.6
97.10168	9.2
99.08102	2.5
105.07036	13.0
107.08598	29.3
109.06499	2.3
109.10159	61.2
111.08077	4.1
111.11716	4.7
113.12718	1.0
119.08578	13.8
121.06522	1.1
121.10146	20.7
123.08091	2.3
123.11714	21.9
125.09644	2.5
127.11160	1.4
131.08574	3.1
133.10126	8.8
135.08104	1.5
135.11699	17.6
137.09613	3.0
137.13251	10.0
139.03877	1.7
139.11188	3.4
145.10132	4.4
147.11703	11.5
149.13260	20.0
151.11182	2.6
151.14848	2.5
155.10594	1.4
159.11665	4.1
161.13252	8.7
163.11174	1.6
163.14832	6.4
165.12817	3.9
173.13158	1.9
175.14830	5.3
177.16409	4.2
179.14279	2.7
187.14787	1.9
189.16386	3.1
191.17947	3.4
201.16431	1.9
215.17944	3.3
245.22971	4.4
271.24146	6.6
289.17917	1.6
289.25281	12.9
307.26382	56.0
308.26508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03957	1.5
53.87734	0.8
55.01870	1.4
55.05510	17.9
57.03437	1.8
57.07068	5.8
65.03944	1.3
67.05505	29.7
69.03410	0.9
69.07069	28.2
69.45557	4.3
69.45989	2.4
71.05002	6.2
71.08628	1.5
73.06543	1.0
77.54864	0.6
79.05497	16.2
81.03393	1.2
81.07056	100.0
82.07404	1.9
83.04973	2.2
83.08631	12.0
85.06544	2.8
85.10157	1.3
91.05475	7.8
93.07044	29.8
94.07368	0.7
95.04971	7.5
95.08607	72.8
97.06525	4.0
97.10175	7.7
98.20761	1.2
99.08085	2.0
105.07035	13.3
107.08595	26.7
109.06500	2.4
109.10158	47.2
110.10493	0.7
111.08099	4.0
111.11710	5.1
113.09633	0.8
119.08575	13.3
121.06539	1.0
121.10138	19.9
123.08041	1.1
123.11716	23.8
125.09617	4.4
125.13262	1.3
127.11143	1.3
131.08545	2.1
132.77209	0.7
133.10126	7.3
135.07956	0.8
135.11707	17.6
137.09618	2.2
137.13266	7.4
138.49565	0.8
139.03894	1.3
139.11192	2.5
145.10144	4.3
147.11708	6.7
149.13258	17.6
149.14368	1.4
151.11201	2.2
151.14838	2.4
152.20361	0.8
153.12711	1.8
155.10753	1.1
159.11667	4.2
161.13280	6.6
163.14783	7.8
165.12767	2.8
165.16377	0.8
173.13268	3.0
175.14832	3.6
177.16359	3.3
179.14275	2.7
179.17931	1.1
187.14821	1.8
189.16374	3.1
191.17908	1.9
193.15907	1.0
201.16376	1.7
203.17924	1.3
215.17937	3.0
219.17509	0.7
233.18967	0.8
245.22971	1.7
271.24146	5.8
277.25266	1.1
289.18158	0.8
289.25220	13.3
307.26337	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03965	1.9
55.01868	2.2
55.05507	18.8
57.03428	4.6
57.07066	5.7
59.88888	1.4
60.96434	1.4
65.03935	1.6
65.84676	1.3
67.05505	37.9
69.03423	3.9
69.06713	2.5
69.07068	31.6
70.06592	2.0
70.86235	4.6
71.04984	4.5
76.02220	1.7
79.05490	12.5
81.03436	1.8
81.07057	100.0
83.05007	1.8
83.08602	9.7
85.06528	7.3
91.05473	6.3
93.07046	28.4
95.04957	2.3
95.08607	70.5
96.08942	1.7
97.06519	5.2
97.10160	5.9
99.08084	2.0
105.07026	11.6
107.08587	26.6
109.06503	3.5
109.10158	54.2
110.10480	2.0
111.08080	16.9
111.11698	3.3
117.06985	1.5
119.04826	1.5
119.08569	9.6
121.10156	16.8
123.04415	1.5
123.08060	1.8
123.11707	55.2
125.09621	4.7
127.11178	3.8
131.08583	2.1
133.10120	8.1
135.08005	1.7
135.11676	10.5
136.07607	7.4
137.05872	1.4
137.09627	1.7
137.13258	8.3
138.09138	4.8
139.03879	4.3
139.11174	5.2
141.12781	2.0
145.10126	1.7
147.11646	8.0
149.13245	15.1
151.11198	12.1
152.07045	3.1
153.12663	1.6
155.10625	1.6
159.11691	3.6
160.56879	1.7
161.13290	4.7
163.03984	1.5
163.14830	4.7
164.07082	12.7
165.12766	4.4
167.14299	1.5
169.12283	2.7
170.08134	1.6
173.11797	2.4
173.13266	1.8
173.94505	1.2
177.16364	2.9
182.08171	2.1
183.13896	1.4
187.13261	4.4
189.16319	1.7
191.08145	1.4
191.17999	3.3
193.90660	1.5
203.17900	1.5
215.17908	2.3
271.24295	2.0
289.25223	9.8
307.06100	3.2
307.12872	4.2
307.20078	6.1
307.26291	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03940	4.4
53.52075	1.1
55.01870	5.3
55.05513	11.8
57.03418	1.5
59.04987	1.1
62.73160	1.1
67.05170	1.7
67.05507	23.7
69.03449	1.2
69.07068	10.4
70.04095	1.5
70.73817	2.1
70.74128	1.2
71.04974	2.1
79.05496	33.8
79.05959	2.0
80.93266	1.2
81.03417	4.0
81.07059	100.0
81.77547	1.1
83.04970	4.1
83.08633	7.5
85.06536	2.2
91.05483	14.0
93.07050	15.7
95.04982	7.9
95.08604	14.8
97.06547	5.8
97.10149	1.6
98.98466	1.9
99.08078	2.4
105.07021	16.2
107.04951	3.9
107.08587	10.8
109.06519	47.1
109.10175	6.4
111.08079	3.2
117.07015	5.0
119.08585	13.5
121.02928	1.3
121.06516	4.3
121.10143	10.4
121.44511	1.1
123.08060	5.4
123.11692	3.4
125.09622	1.5
129.07014	1.7
131.08562	7.8
133.10126	12.6
135.08061	4.1
135.11682	6.0
137.05986	2.7
137.09622	2.8
139.03972	2.2
139.07614	1.9
143.08566	1.6
145.10117	7.1
147.11687	12.8
149.09605	4.5
149.13229	5.5
151.11160	2.1
151.62201	1.3
157.10120	3.2
159.11723	7.7
161.13286	2.0
163.11253	5.5
163.14772	2.7
165.12758	7.0
169.10197	1.8
173.09549	1.5
173.13275	2.6
175.11212	2.7
177.12830	1.5
187.14725	1.8
193.12253	4.5
220.20081	1.3
229.19470	2.7
239.17989	2.3
247.20496	5.5
257.19055	4.7
275.20062	54.8
276.20456	2.3
289.18051	5.0
289.21414	1.7
294.84430	1.2
307.09668	1.5
307.19107	3.5
307.22641	26.5
308.15125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.05503	3.4
56.05017	1.2
57.03437	1.5
64.17511	0.8
67.05496	4.3
69.03429	2.7
69.07056	3.8
70.04081	1.0
70.06591	3.2
71.04985	2.4
71.59845	1.1
75.21378	0.8
76.02220	2.5
76.90180	0.8
79.05492	5.7
80.05006	3.3
81.03416	4.9
81.06724	0.8
81.07072	9.0
82.06600	1.4
84.04511	15.8
84.08153	1.9
85.02909	20.6
85.05247	1.1
86.06066	9.8
87.04448	1.4
90.36681	0.9
91.05484	6.6
93.05807	1.7
93.07056	7.4
94.06585	2.0
95.01297	1.4
95.04951	1.3
95.08626	5.6
96.08175	1.5
97.02890	1.5
97.06538	1.1
98.98444	2.5
102.05551	9.7
105.07030	8.2
107.04994	1.2
107.08620	5.5
108.08121	100.0
109.02901	2.5
109.06540	1.5
109.08917	2.6
109.10155	2.4
110.09698	14.4
111.04426	1.2
111.08083	1.1
112.03973	1.3
113.05995	0.8
114.05575	1.0
117.03426	0.8
119.08580	9.2
121.10174	2.4
122.09657	1.4
123.04447	1.0
123.11784	1.0
124.07596	1.6
127.03936	2.1
130.05009	88.5
131.08583	1.8
133.10141	5.1
134.09653	4.7
135.04459	2.0
135.11688	4.0
137.06001	1.1
139.02922	1.6
139.03909	19.1
146.09566	0.9
148.11203	4.0
151.03917	2.1
155.01041	1.2
161.13287	7.0
162.02219	1.0
163.03899	4.6
164.10677	1.1
174.13223	0.9
176.13005	1.1
176.14378	5.5
177.15112	1.2
178.15916	38.1
179.04967	2.4
181.04951	3.4
189.12837	1.0
199.15013	1.0
206.08220	1.1
209.09270	1.9
220.09741	5.1
222.11276	2.4
237.12358	12.2
237.14555	1.4
239.13919	7.6
261.19553	1.4
289.11661	1.9
290.17517	7.7
307.08463	1.6
307.20172	66.3
308.20459	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.0
55.01871	17.7
55.05263	3.6
55.05515	51.6
55.31827	2.8
56.14063	2.6
57.03436	26.1
59.05027	2.9
64.27975	2.7
65.03946	4.3
65.46241	2.8
67.05508	58.5
69.03432	12.8
69.07068	18.9
69.60500	14.6
69.60906	5.2
71.04990	6.9
79.03796	2.9
79.05498	57.6
81.03423	15.4
81.07056	49.5
83.04966	18.8
83.08620	29.2
85.06539	6.7
86.72738	2.9
91.05482	71.0
93.07054	66.1
95.04976	37.5
95.08622	35.2
97.06546	35.2
97.10181	40.4
98.21506	5.9
98.98468	5.2
99.04479	3.3
103.05477	4.6
105.07035	41.8
107.04961	21.6
107.08603	37.2
109.06506	21.8
109.10163	16.4
111.04488	4.5
111.08106	15.3
113.06052	4.6
115.05440	7.9
117.07037	27.9
119.04968	2.8
119.08585	52.4
121.02886	8.0
121.06523	21.0
121.10146	13.9
123.04418	7.5
123.08065	8.3
125.06053	4.1
125.09620	32.5
128.06224	5.2
129.07011	12.3
131.04965	2.9
131.08575	37.1
133.06494	18.2
133.10120	30.6
135.04388	3.5
135.08054	34.5
137.05995	7.4
137.09628	6.6
139.03876	7.0
139.07574	9.7
141.06998	6.8
142.07787	5.1
143.08588	14.9
145.06508	12.4
145.10124	18.3
147.08104	13.6
147.11731	8.1
149.06026	3.7
149.09618	26.2
151.07549	3.7
151.11252	5.6
153.09138	4.4
154.07681	3.1
155.08566	8.3
157.10155	13.0
159.08095	28.5
159.11716	11.5
161.09644	12.1
161.13249	3.7
163.07544	15.6
163.11176	5.5
165.09122	6.5
167.10744	4.5
169.10135	12.9
171.10381	3.3
171.11720	11.5
172.84308	2.5
173.09615	14.4
173.13245	6.0
175.11162	6.2
177.09119	17.8
177.12758	3.1
179.10750	4.7
181.10040	3.5
182.10919	7.0
183.11719	7.4
185.09610	2.8
185.13333	3.2
187.11206	4.3
189.11246	22.1
189.12715	4.4
191.10632	5.2
193.10277	2.6
193.12285	10.1
195.10161	9.5
195.11768	4.6
197.13295	7.4
209.13193	3.9
211.14984	3.1
215.14320	8.1
225.16428	5.1
233.13358	4.1
233.15460	9.0
239.12929	4.0
240.20523	2.9
243.17505	7.5
253.15901	5.8
261.18567	15.5
263.17841	4.4
271.16934	36.3
289.17981	100.0
296.68839	2.9
307.18927	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03938	9.0
55.01871	17.7
55.05263	3.6
55.05515	51.6
55.31827	2.8
56.14063	2.6
57.03436	26.1
59.05027	2.9
64.27975	2.7
65.03946	4.3
65.46241	2.8
67.05508	58.5
69.03432	12.8
69.07068	18.9
69.60500	14.6
69.60906	5.2
71.04990	6.9
79.03796	2.9
79.05498	57.6
81.03423	15.4
81.07056	49.5
83.04966	18.8
83.08620	29.2
85.06539	6.7
86.72738	2.9
91.05482	71.0
93.07054	66.1
95.04976	37.5
95.08622	35.2
97.06546	35.2
97.10181	40.4
98.21506	5.9
98.98468	5.2
99.04479	3.3
103.05477	4.6
105.07035	41.8
107.04961	21.6
107.08603	37.2
109.06506	21.8
109.10163	16.4
111.04488	4.5
111.08106	15.3
113.06052	4.6
115.05440	7.9
117.07037	27.9
119.04968	2.8
119.08585	52.4
121.02886	8.0
121.06523	21.0
121.10146	13.9
123.04418	7.5
123.08065	8.3
125.06053	4.1
125.09620	32.5
128.06224	5.2
129.07011	12.3
131.04965	2.9
131.08575	37.1
133.06494	18.2
133.10120	30.6
135.04388	3.5
135.08054	34.5
137.05995	7.4
137.09628	6.6
139.03876	7.0
139.07574	9.7
141.06998	6.8
142.07787	5.1
143.08588	14.9
145.06508	12.4
145.10124	18.3
147.08104	13.6
147.11731	8.1
149.06026	3.7
149.09618	26.2
151.07549	3.7
151.11252	5.6
153.09138	4.4
154.07681	3.1
155.08566	8.3
157.10155	13.0
159.08095	28.5
159.11716	11.5
161.09644	12.1
161.13249	3.7
163.07544	15.6
163.11176	5.5
165.09122	6.5
167.10744	4.5
169.10135	12.9
171.10381	3.3
171.11720	11.5
172.84308	2.5
173.09615	14.4
173.13245	6.0
175.11162	6.2
177.09119	17.8
177.12758	3.1
179.10750	4.7
181.10040	3.5
182.10919	7.0
183.11719	7.4
185.09610	2.8
185.13333	3.2
187.11206	4.3
189.11246	22.1
189.12715	4.4
191.10632	5.2
193.10277	2.6
193.12285	10.1
195.10161	9.5
195.11768	4.6
197.13295	7.4
209.13193	3.9
211.14984	3.1
215.14320	8.1
225.16428	5.1
233.13358	4.1
233.15460	9.0
239.12929	4.0
240.20523	2.9
243.17505	7.5
253.15901	5.8
261.18567	15.5
263.17841	4.4
271.16934	36.3
289.17981	100.0
296.68839	2.9
307.18927	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.85832	2.8
53.03965	5.6
55.01868	15.5
55.05513	27.4
56.96574	5.3
57.03431	4.2
57.07068	3.5
57.44541	3.1
67.05510	26.1
69.03419	6.0
69.07066	12.3
70.03629	12.6
70.04050	7.8
71.04992	5.2
79.05500	37.8
81.03430	4.4
81.07064	70.5
83.04991	9.0
83.08624	13.8
91.05480	28.5
93.07058	31.9
95.04955	12.1
95.08619	12.7
97.02887	6.2
97.06532	7.2
97.10187	6.6
98.98451	5.3
102.93387	3.7
105.07034	28.0
107.04964	21.4
107.08602	22.5
109.02887	14.5
109.06509	30.5
109.10168	12.3
111.04475	3.0
111.08102	5.7
117.07005	15.3
119.08573	27.4
121.02899	8.4
121.06525	16.0
121.10149	5.6
123.04425	5.1
123.08084	7.6
125.09676	8.3
129.07011	7.5
131.08530	9.3
133.06529	4.7
133.10162	16.4
135.08083	26.6
137.06001	31.6
137.09636	9.1
138.06299	27.0
139.03934	20.0
139.07556	13.8
142.07901	3.4
143.08551	7.9
145.06483	7.8
145.10156	9.4
147.08064	8.8
151.07654	4.5
151.11115	7.4
153.09079	4.6
155.08589	3.7
157.10133	7.3
159.08086	7.3
159.11688	7.3
161.09651	16.5
163.07573	15.8
163.11224	4.4
165.09166	3.0
169.10123	4.1
171.71898	3.4
173.09659	4.7
179.10645	10.5
187.11212	5.8
189.09213	5.4
189.11166	4.2
191.10634	4.8
193.12271	10.9
207.10141	4.3
215.14539	3.4
225.16444	3.9
243.17436	16.9
261.18488	22.1
267.06598	3.6
267.09097	5.7
271.17023	17.6
275.02032	3.1
285.10138	8.1
289.17981	100.0
289.21317	6.5
307.19507	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03932	1.8
55.01875	9.1
55.05508	12.3
57.03424	3.2
57.07069	2.2
58.89534	1.2
59.04992	1.7
65.03950	2.8
67.05505	26.0
69.03415	3.7
69.07065	8.2
71.04974	2.3
71.08611	1.9
71.31946	3.5
73.71663	1.5
76.02182	1.7
79.05492	20.7
81.03388	4.5
81.07054	55.8
83.04623	1.3
83.05000	12.5
83.08617	4.1
85.06513	2.1
91.05486	20.0
93.07040	14.6
95.04948	9.2
95.08615	11.1
97.06547	3.5
97.10153	3.0
98.97854	1.5
99.08078	1.9
105.07024	14.4
107.04926	6.3
107.08571	11.3
109.06512	31.9
109.10140	13.3
111.08071	2.3
117.06991	6.2
119.04913	1.9
119.08594	6.8
121.06513	8.3
121.10139	3.8
123.08112	3.0
123.11656	1.6
129.06984	2.7
131.08519	7.5
133.06447	4.8
133.10109	16.1
135.08023	5.9
137.05956	5.5
137.09595	4.1
138.06354	3.0
139.03909	3.2
141.06946	1.8
143.08553	3.9
145.06506	3.4
145.10132	3.8
147.08035	3.9
149.09697	1.6
151.11185	5.9
153.09064	1.8
157.10161	2.2
159.08069	8.9
161.09619	9.0
163.07553	4.7
163.11214	4.4
165.12775	19.5
173.09624	7.4
173.13136	1.9
177.09120	2.5
179.10670	5.2
191.10545	1.9
243.17442	3.8
253.15936	3.2
261.18390	2.8
271.16928	100.0
272.17236	4.9
289.17978	33.1
289.21588	7.2
307.19003	7.9
307.22659	20.2
307.28296	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	307.1906
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03957	4.2
54.95629	3.5
55.01872	12.1
55.05515	34.8
55.42962	3.9
57.03440	83.3
67.05510	47.4
69.03423	6.5
69.07072	11.1
69.95695	21.3
74.14970	4.2
77.22311	4.0
79.05501	37.3
81.03410	4.8
81.07073	44.9
83.04988	63.0
83.08589	5.4
85.06540	6.2
91.05479	47.5
93.07057	33.9
95.04976	17.9
95.08606	21.4
97.06538	8.3
97.15585	3.4
98.20840	5.0
99.04468	7.2
102.30879	3.2
105.07040	26.9
105.77682	4.0
106.79620	3.6
107.04972	72.8
107.08602	13.8
108.05791	3.7
109.06543	23.9
109.10173	10.5
111.04443	43.5
111.08141	5.5
113.05994	8.2
116.06215	4.6
117.07030	22.9
119.08572	25.7
121.06506	11.8
121.10147	12.2
123.04420	3.7
123.08087	5.5
125.05996	10.5
129.07010	10.5
131.08580	25.4
133.06519	16.8
133.10127	17.0
135.08084	20.7
135.11732	8.3
137.05994	30.0
137.09659	5.4
137.18556	3.9
138.06345	15.5
139.03944	7.8
139.07530	4.3
143.08601	5.3
145.06493	14.6
145.10130	15.6
147.08038	17.1
147.11720	5.0
149.05995	7.8
149.09615	5.5
151.07568	5.3
159.08064	9.3
159.11725	10.7
161.09641	12.7
163.07564	8.3
163.11227	10.2
169.10146	4.5
171.11659	8.5
173.09726	9.4
173.13274	4.2
177.09181	10.5
177.12762	21.1
185.09641	3.7
187.11319	5.1
187.14825	7.3
189.12785	5.1
193.12325	4.1
193.49048	4.4
197.13306	6.2
201.09169	5.3
205.12328	3.9
205.15941	15.5
215.14313	13.4
233.15378	39.5
243.17480	16.0
253.15988	6.9
261.18585	36.9
271.16925	31.9
289.17975	100.0
290.18576	4.3
295.97849	4.1
307.19278	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	307.1907
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03942	4.0
53.33549	3.6
55.01869	11.8
55.05515	32.8
56.96565	5.6
57.03453	6.8
57.07079	4.4
59.04996	3.3
67.05507	46.4
69.03425	7.0
69.07072	30.1
71.04993	4.1
71.08619	3.6
71.60886	3.7
76.02243	3.6
79.05504	29.4
81.03436	9.6
81.07071	51.4
83.04976	16.3
83.08625	15.5
89.39439	3.0
91.05482	39.9
93.07045	37.8
95.04977	26.4
95.08614	27.5
97.06581	17.3
97.10176	12.0
103.05512	5.1
105.07057	41.5
107.04951	16.3
107.08607	26.9
109.02845	5.2
109.06516	15.9
109.10188	13.2
111.04490	5.1
115.05460	6.2
117.07004	24.9
119.08588	100.0
121.02876	9.0
121.06528	14.5
121.10160	18.6
123.04459	19.5
123.08090	10.4
125.02394	4.0
125.09631	11.2
128.06229	10.7
129.07013	15.6
130.07837	4.0
131.08583	23.7
133.06467	7.8
133.10144	43.5
134.88315	3.5
135.04446	6.4
135.08049	28.6
135.11720	9.9
137.05991	6.9
137.09615	6.1
139.03905	22.3
139.07549	9.8
141.07002	8.4
142.07808	9.6
143.08592	27.2
144.09412	4.7
145.06526	7.4
145.10146	24.9
147.08058	10.5
147.11717	8.3
149.06009	6.7
149.09633	13.9
149.13309	4.3
151.07568	6.5
151.11205	4.4
153.07098	5.3
154.07777	5.0
155.01089	4.0
155.08553	11.2
156.09303	5.2
157.10120	16.6
158.11020	4.7
159.08069	27.9
159.11717	20.4
161.09662	11.7
163.07571	7.4
163.11169	11.9
167.08566	8.4
169.10109	20.4
170.10959	4.1
171.11739	9.9
173.09583	15.9
173.13226	8.3
175.11194	5.8
177.09146	10.3
177.12729	3.9
179.08604	5.7
181.04956	3.2
181.10204	7.6
182.10963	7.8
183.11748	7.2
187.11206	5.7
189.11284	8.1
193.10292	6.9
193.12257	16.4
194.10954	5.8
195.11761	6.4
196.12537	3.7
197.13293	14.4
205.12265	4.1
207.11751	5.4
208.12444	3.7
209.13310	11.1
211.14856	7.8
221.13274	10.2
222.13828	3.9
223.14961	4.5
233.13301	10.2
235.14967	4.2
237.16467	5.4
239.12634	6.3
243.17519	8.8
244.12617	5.0
253.15781	8.1
259.14853	7.5
261.03140	5.5
261.18579	14.3
271.16953	17.6
289.17908	63.9
289.20856	4.1
307.09354	4.9
307.12610	3.6
307.18958	36.6
308.21024	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70055	0.4
55.01867	0.7
55.05509	0.5
56.05031	2.0
56.96564	1.4
58.06597	3.4
67.05503	1.0
69.03417	1.0
69.07081	0.6
69.62492	0.5
70.04070	0.7
70.06593	1.1
71.04987	0.5
71.49493	0.8
74.02431	0.5
74.06078	1.6
79.05489	1.1
81.07056	2.2
83.04978	0.7
84.04507	23.5
84.08143	100.0
85.02910	0.9
85.06526	0.5
85.08491	1.5
86.06067	6.7
86.09703	6.2
93.07034	1.3
95.04930	0.6
95.08643	0.5
98.97566	0.6
98.98479	1.2
102.05547	1.5
107.08606	0.6
108.04321	0.4
111.04432	0.5
113.05879	0.5
114.12839	0.6
116.98605	0.7
121.10144	1.6
122.37939	0.5
123.04439	0.9
127.03930	0.7
130.06540	3.8
130.08630	1.6
130.75607	0.5
132.04430	1.8
135.04433	0.7
139.03900	23.2
140.04262	0.9
140.07161	0.5
141.13866	6.4
142.03171	0.5
146.05975	1.1
148.07521	0.7
150.09131	0.6
151.03888	1.0
157.07614	2.0
158.06047	3.0
163.03899	3.3
169.04959	0.6
169.13379	9.0
169.14726	1.0
175.08693	1.0
176.07031	2.3
177.05434	0.8
181.04892	1.5
195.06470	0.5
198.11177	2.9
213.15944	0.6
215.13916	35.1
216.14063	0.8
243.17050	55.5
244.17426	2.5
261.08707	1.1
261.11264	0.5
262.11081	3.5
307.13400	0.9
307.16830	24.6
308.17145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47260	1.8
53.03947	3.8
54.77924	2.1
55.01857	6.3
55.05504	9.9
57.03424	2.1
58.99592	2.8
61.02955	2.3
67.05508	23.3
68.99788	3.0
69.03426	8.2
69.07066	16.2
69.68476	15.0
70.06582	6.1
71.04997	25.0
72.60075	2.0
73.02904	4.0
74.06092	4.0
76.02226	12.8
79.05502	44.4
81.07063	28.3
83.05004	11.3
84.04516	10.4
84.08139	2.9
85.02895	9.3
85.06548	7.3
86.09708	2.3
87.00837	6.1
87.04481	10.1
90.40623	2.0
91.05473	8.2
93.03403	2.5
93.07044	62.0
94.06534	2.8
95.04959	6.0
95.08614	23.6
97.02901	4.0
97.06563	11.3
98.98460	4.6
101.05992	2.5
105.07001	7.3
107.04941	6.1
107.08589	13.3
109.02880	3.8
109.06556	3.7
109.10149	7.3
111.04459	10.5
115.03922	4.4
116.01666	2.6
119.04905	2.2
119.08559	4.1
120.08133	3.7
121.06508	3.6
121.10152	100.0
123.04424	3.9
123.08050	3.4
123.11738	2.9
125.05981	7.6
127.03898	3.4
127.07579	3.2
130.04964	7.1
130.06538	74.7
131.08577	10.0
132.04463	16.9
139.03911	79.1
139.11186	36.5
144.01225	2.5
145.06496	2.8
145.08595	4.6
148.07625	11.7
149.09633	31.0
151.03876	3.2
151.11153	3.6
155.03404	3.8
157.07645	39.5
157.12233	30.9
158.04788	4.6
158.06027	63.4
158.07307	3.4
159.04396	3.2
162.02214	6.0
163.03911	9.4
167.10666	41.6
175.08711	25.4
176.07095	40.0
177.05498	2.6
179.04871	7.2
179.07170	2.4
181.05006	5.8
185.11758	8.8
191.07204	2.5
199.08556	2.3
199.13246	3.3
201.06766	2.8
201.70738	2.4
203.08240	2.2
204.06599	4.5
205.08575	3.4
222.07622	13.2
222.79498	2.3
241.10501	2.5
243.07643	5.0
243.12285	2.1
253.10829	3.3
259.09491	2.6
261.08740	24.7
261.11322	3.4
271.11652	3.5
280.46451	2.6
289.08163	6.9
289.10895	4.0
307.08963	4.5
307.12683	8.2
307.16656	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	307.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04247	0.9
50.34385	0.8
53.03957	1.6
55.01872	3.7
55.05511	4.9
57.03429	2.8
57.07077	1.4
57.37641	0.8
59.74017	0.9
65.03944	1.4
67.05503	12.1
69.03440	5.1
69.07069	7.2
70.06590	2.7
70.08273	4.1
71.04996	17.6
71.08634	1.3
73.02902	1.3
73.43244	1.0
74.06075	1.0
79.05495	24.6
81.03407	4.0
81.07066	17.5
83.04983	5.2
84.04514	1.3
85.02907	11.5
85.06549	6.6
87.00827	3.7
87.04475	2.5
91.05478	4.3
93.03414	1.1
93.07047	27.6
95.04971	4.2
95.08605	10.3
97.02905	2.9
97.06528	6.1
98.97573	1.5
98.98455	1.4
99.04455	1.0
99.08098	3.6
101.02424	1.1
103.05452	0.9
104.04992	0.9
105.07044	3.5
107.04947	4.4
107.08589	4.0
108.04490	7.4
108.35278	1.0
109.02888	1.9
109.06511	7.0
109.10161	1.2
111.04434	3.7
111.08106	1.3
115.03967	1.9
115.05465	1.2
116.98627	1.0
117.06963	1.6
119.04900	1.1
120.08113	1.2
121.10149	41.4
122.06091	4.7
122.10423	1.5
123.04420	3.7
123.08053	1.4
125.06037	1.4
127.03925	3.0
127.07574	11.1
130.05022	1.7
130.06523	22.5
131.08578	4.0
132.04454	9.7
133.02881	1.6
135.04483	2.3
137.05962	1.1
137.09558	1.0
138.05489	1.6
139.03911	100.0
139.10094	1.4
139.11189	24.2
140.04276	2.6
140.07085	7.8
145.04945	3.6
145.06555	1.8
145.08606	24.1
146.05984	1.7
147.04439	2.4
148.07590	1.7
149.05902	1.0
149.09610	11.9
150.05556	1.4
151.03925	5.0
153.05493	1.2
155.03435	1.9
157.07628	15.8
157.12259	19.4
158.06023	20.3
159.04491	2.3
161.05963	1.2
163.03911	8.8
165.05496	1.2
167.07111	1.5
167.10683	14.4
168.06560	5.9
169.04962	2.8
175.08714	6.4
176.07050	8.9
177.05482	4.1
177.66031	0.9
181.04936	6.6
181.06337	1.0
183.07996	1.0
185.11726	7.4
191.07140	1.7
195.06544	2.5
199.07372	1.0
199.13345	2.5
203.08257	2.0
203.12769	2.7
204.06575	1.8
205.08620	1.9
222.07634	3.3
223.06131	1.6
231.06531	1.0
243.07680	1.8
243.12274	1.1
245.09157	1.2
247.06055	1.3
253.10670	1.0
259.09726	1.4
261.08713	7.5
261.11099	1.6
271.11957	1.6
289.07767	2.3
289.13040	1.4
307.09094	2.1
307.12527	5.0
307.16391	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03210	0.3
57.03440	0.5
60.05670	0.7
66.76737	0.4
66.92788	0.3
69.03455	1.4
69.69078	1.0
69.69491	1.5
70.06594	4.4
70.06886	0.4
71.04984	0.5
72.08164	0.8
72.90766	0.4
79.84938	0.4
81.03427	0.6
84.08174	0.8
85.02936	1.1
86.06078	0.4
87.04495	0.5
97.02952	1.6
98.20808	0.5
109.02932	1.3
112.08749	0.5
114.09220	0.7
114.10307	0.4
116.07127	0.8
119.01931	0.6
127.03916	3.9
128.07126	0.5
130.09825	0.5
142.08658	0.7
143.08243	0.8
145.04979	1.1
146.09253	0.7
157.03554	0.5
158.09338	0.5
161.02939	0.4
173.03020	0.4
175.12007	0.9
181.01736	0.4
199.04568	0.5
202.89217	0.8
212.09451	0.4
244.11833	0.4
265.07867	1.2
277.07904	1.1
289.15054	0.6
307.10220	100.0
307.16022	3.7
308.03329	0.7
308.11093	2.7
308.14731	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1289
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.03947	0.8
55.01867	2.3
55.05516	1.4
57.23813	0.6
63.59285	0.7
65.03921	0.9
67.05497	2.1
69.07062	1.3
70.06588	2.7
70.39907	2.5
70.40254	0.9
72.08160	1.0
73.02905	0.7
76.02215	1.8
79.05490	2.1
80.18167	0.7
81.03423	1.3
81.07050	1.4
83.04956	1.4
84.04511	1.9
84.08158	1.8
85.02895	1.4
89.11468	0.6
91.05491	1.5
93.07053	2.6
95.04985	1.7
95.08595	2.3
96.08221	0.8
97.02950	1.0
98.97471	0.6
98.98480	1.5
105.07052	1.5
107.04940	1.9
107.08600	2.6
108.04485	1.0
109.02870	1.6
109.06494	1.2
109.10165	1.2
111.04491	0.8
114.10292	1.3
118.06544	0.7
119.08595	1.9
120.08102	0.8
121.02879	1.3
121.10165	2.0
122.06029	1.9
123.04435	2.0
124.07608	1.8
127.03918	1.8
130.04970	1.0
131.04904	0.9
133.02882	0.9
133.10141	1.5
135.04445	1.6
135.08070	2.1
136.07590	1.2
139.03911	53.6
140.04283	1.3
140.07088	2.9
145.10147	1.1
150.12805	1.2
151.03909	2.6
153.01891	1.1
156.08089	0.8
159.04375	1.7
160.07571	1.6
162.02274	0.8
163.03912	4.3
163.08655	1.0
166.05026	0.8
168.06598	1.9
170.09677	0.7
173.09789	0.7
173.13271	1.0
174.09201	2.2
177.05457	1.6
177.10303	0.8
178.08652	13.3
179.04877	1.3
181.05052	3.5
181.06367	0.7
184.07610	1.5
187.08766	1.2
188.07103	3.1
195.06467	1.7
198.09233	1.4
200.10641	0.9
201.10284	2.1
202.08679	4.9
205.05060	1.1
205.09766	3.0
206.08134	3.3
209.17635	2.3
215.91957	0.7
216.10179	2.1
219.11316	3.6
220.09628	1.0
226.08623	2.3
229.09769	4.2
230.08072	3.5
243.11374	1.2
244.09801	4.3
247.10820	11.5
261.12396	1.7
262.10696	1.4
265.07492	0.8
265.11868	13.6
271.10831	0.9
272.09134	1.2
275.05334	1.0
289.11877	16.4
289.14828	1.3
289.18274	1.2
290.10153	0.7
307.12921	100.0
308.13177	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	307.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.03932	0.9
55.01852	1.7
55.05497	2.9
57.03423	0.9
59.67239	0.8
60.05642	0.8
60.93056	0.7
61.46390	0.7
63.00069	0.7
65.03942	0.9
67.05503	9.9
68.99794	1.0
69.03421	2.7
69.07075	4.8
70.06579	2.8
71.04686	0.7
71.04996	7.4
71.59528	0.9
72.08146	0.8
76.02239	4.1
79.05492	15.4
81.03413	1.5
81.07051	11.0
83.04972	3.1
84.04493	3.0
85.02900	2.9
85.06543	2.8
86.09695	1.2
87.00823	3.5
87.04458	2.5
88.29926	0.7
91.05486	5.2
93.03393	0.7
93.06473	1.4
93.07043	20.5
94.06567	2.0
95.04961	1.9
95.08615	8.0
97.02869	1.2
97.06521	5.0
98.97560	0.8
98.98473	1.5
99.04472	0.9
105.07028	2.8
107.04940	2.1
107.08589	2.9
109.06493	1.6
109.10134	2.5
111.04454	3.7
113.09706	0.9
115.03913	1.1
119.04959	0.8
119.08560	1.8
120.08083	1.4
121.10143	28.5
121.11029	1.4
123.04439	1.3
123.08080	2.0
125.06001	1.8
127.03899	1.6
130.06528	92.4
131.04965	1.0
131.06921	2.2
131.08571	4.2
132.04459	21.4
135.04453	1.1
136.07497	0.8
137.05956	1.1
137.09636	1.3
139.03899	28.6
139.11183	10.7
144.01256	0.8
145.08624	1.2
146.06039	5.5
147.04466	0.9
148.07539	3.6
149.09610	9.7
151.03867	1.9
155.01073	1.4
157.07613	78.6
157.12231	7.2
158.06013	100.0
159.04352	0.9
159.06386	3.1
161.05927	0.9
162.02199	1.2
163.03915	2.5
167.07021	0.8
167.10686	12.7
173.05914	0.7
173.07181	4.8
175.08679	47.2
176.07069	13.9
176.08966	1.6
177.05408	2.1
179.04857	2.1
181.05000	1.6
185.11722	2.6
197.07117	2.5
199.08755	1.9
201.06628	6.6
203.08122	5.5
203.12830	1.1
204.06503	1.3
221.09229	2.9
222.07599	3.0
225.06528	1.6
237.02753	1.0
243.07690	8.5
245.09338	1.8
247.04678	1.1
247.07135	2.3
259.09744	1.0
261.08734	47.0
262.09030	2.0
271.07196	2.2
271.11621	1.6
289.08267	11.8
289.11078	1.0
307.09256	7.1
307.12442	1.2
307.16888	2.3
322.56192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0813
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
53.00300	0.7
55.01864	0.6
60.28948	0.2
65.03929	0.7
67.05496	1.2
68.99784	1.0
69.03425	0.4
70.06595	0.4
71.33867	0.6
76.02216	0.9
79.05496	0.8
81.03410	0.4
81.07055	0.6
83.04974	0.7
83.47507	0.3
84.04503	1.3
84.08150	0.5
85.02888	1.0
88.89316	0.3
91.05398	0.3
93.03397	1.1
93.07066	0.4
95.04974	1.5
97.02870	0.6
103.05461	0.3
107.04939	1.5
109.02846	0.3
111.00764	0.3
111.04441	1.4
121.02871	1.2
121.06487	0.3
121.10130	0.5
123.04450	1.4
126.03688	0.4
127.03948	1.2
130.06549	0.9
131.04930	1.0
132.04433	1.3
133.02878	1.5
135.04434	2.9
139.03902	100.0
140.04234	2.6
144.04736	0.6
145.02827	0.7
145.05080	0.9
146.04442	0.3
147.04378	0.3
149.05974	0.6
151.03906	3.8
153.01871	0.6
153.05476	1.0
157.07626	0.5
158.05962	0.8
159.04437	2.7
162.02200	0.7
163.03909	9.3
167.07056	0.5
169.04976	2.3
175.08800	0.3
176.07050	0.3
177.05469	2.9
179.07007	0.3
181.04984	5.0
195.06543	2.9
205.05052	0.9
217.05060	0.4
223.06065	1.6
247.06070	0.7
261.08633	0.4
265.04886	0.4
289.07104	0.9
307.08032	0.8
307.13065	0.5
309.76779	0.3
321.08423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0814
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
53.00302	0.4
53.03931	0.3
55.01865	0.7
65.03943	1.2
67.01851	0.2
67.05502	0.8
68.99796	1.1
69.03420	0.3
70.73964	0.6
79.05503	0.3
81.03436	0.2
83.04979	0.7
85.02883	0.3
93.03410	0.7
95.04965	1.3
107.04977	1.2
111.00804	0.2
111.04456	1.6
117.03393	0.3
121.02848	0.7
121.06499	0.2
123.04446	1.2
127.03909	0.8
127.07549	0.2
130.06537	0.3
131.04941	1.2
133.02844	1.6
135.04431	2.3
139.03908	100.0
140.04242	2.9
145.02870	0.4
145.08632	0.3
147.04462	0.3
149.05988	0.8
151.03912	4.5
153.01889	0.7
153.05460	1.2
158.06078	0.3
159.04427	2.4
163.03917	9.4
164.04326	0.3
165.05330	0.2
167.07033	0.4
169.04964	1.9
175.03958	0.3
175.08789	0.2
176.07095	0.3
177.05482	3.4
181.04958	5.8
182.05345	0.4
195.06548	3.2
203.27539	0.2
205.04968	0.7
223.06041	1.2
247.06058	0.4
265.07181	0.4
289.06964	0.9
307.08136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55526	0.5
50.76241	0.6
57.07079	100.0
58.07423	0.9
59.99115	9.4
69.90535	3.5
71.17327	0.6
75.13759	0.6
76.28645	0.6
79.05524	0.7
85.07674	1.4
86.06072	17.4
98.20733	0.7
102.03775	1.9
102.99673	0.9
106.06564	64.8
116.05322	48.8
137.05980	5.7
142.12251	0.7
145.04324	11.9
201.10582	81.6
202.10855	1.7
208.05406	4.9
250.10139	4.5
254.78880	0.6
306.16321	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	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
67.05495	0.5
69.07073	1.6
70.78009	0.7
70.78381	0.6
73.92731	0.3
79.05477	0.7
81.07061	0.8
91.23954	0.3
93.07035	0.3
94.04176	1.5
95.08594	0.4
101.53940	0.3
105.19855	0.3
107.08588	0.5
109.10114	0.5
112.91060	0.3
122.03649	5.1
133.10132	0.8
135.11699	1.4
137.05980	100.0
138.06302	1.0
151.11177	0.5
152.28809	0.3
153.12766	0.9
170.15402	2.2
182.15402	2.7
196.92772	0.3
260.70459	0.3
277.94055	0.4
306.10001	0.4
306.20676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2066
Annotation	Lycophlegmarine
Peak:m/z	Relative Intensity
55.01864	1.2
55.05505	3.4
59.49215	0.6
67.05499	2.5
68.05019	2.4
69.06724	1.4
69.07072	23.2
70.80219	0.7
70.80531	1.6
78.03429	1.0
79.05479	3.0
80.05019	55.8
81.07057	3.1
83.08630	1.1
83.60944	0.7
87.34348	0.8
91.05479	1.4
93.07056	1.2
94.06557	2.3
95.03699	0.8
95.08617	2.5
96.04523	0.7
97.06532	1.4
106.06569	4.3
107.03665	1.4
107.08590	2.1
108.04496	4.2
109.10172	0.9
116.66671	0.7
119.08595	1.0
120.04459	1.2
120.08112	4.5
122.03645	1.8
122.06038	2.5
124.03958	76.5
127.03965	1.2
128.04202	1.1
130.55115	0.9
134.06018	2.1
134.09663	1.1
137.05984	49.1
139.03911	2.7
146.09633	0.9
148.07591	0.9
162.12804	5.3
164.14340	1.5
172.11322	1.0
174.12830	4.9
176.10699	0.9
182.15453	2.0
190.12328	1.8
192.13840	100.0
193.14223	1.5
210.14880	3.2
218.11765	14.8
227.25038	0.7
236.12817	23.7
236.15079	1.5
246.18268	0.8
288.16412	1.3
288.19589	25.3
289.17972	1.6
306.17407	1.6
306.20639	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	306.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
56.05017	0.6
56.96568	1.6
57.03433	1.7
61.02922	2.3
65.03956	1.6
68.05029	1.7
69.03428	5.0
69.07056	0.7
70.06573	1.8
71.59895	0.9
73.02908	2.1
74.06083	7.6
79.05484	1.4
81.03416	2.7
81.07059	1.6
84.04488	2.8
84.08157	4.2
85.01144	1.9
85.02914	15.1
85.10887	0.6
87.04475	0.9
95.04949	2.2
97.02901	4.4
98.00637	2.2
98.06064	1.0
98.97591	2.3
99.02677	2.8
103.03969	1.4
104.89305	0.8
107.04958	19.7
107.42472	0.9
108.05309	2.7
108.83435	0.7
109.02865	1.7
109.05428	0.8
113.03008	1.8
114.10291	0.8
116.07107	2.1
116.98631	2.8
120.06593	1.4
121.10160	0.7
123.08060	0.7
124.07561	0.7
126.03749	26.0
126.09128	1.8
127.03847	4.2
130.05014	1.3
130.06525	1.1
132.04463	1.5
134.99634	1.6
137.05975	1.6
139.03915	18.6
140.04384	0.8
144.04793	100.0
144.06618	3.2
144.10196	1.1
145.05054	4.1
150.96880	1.1
151.03970	1.6
158.06076	1.2
163.03928	2.1
175.08704	1.2
176.10712	2.5
177.03290	2.3
186.05820	4.1
203.18163	0.7
205.01749	1.0
222.00766	2.7
223.02832	2.7
223.06207	0.8
237.02856	0.9
240.01898	1.8
243.17122	1.9
264.01715	0.9
265.03912	3.1
288.11060	0.9
306.10025	20.5
306.15228	1.6
306.24985	1.2
307.16757	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1185
Annotation	Passiguatemalin
Peak:m/z	Relative Intensity
53.03954	0.7
55.01870	0.9
56.05040	7.5
56.96571	0.4
57.03434	2.4
59.24698	0.3
65.03944	0.6
67.05497	0.5
68.99787	0.8
69.03435	4.4
70.06591	2.1
70.78500	0.8
70.78855	1.0
71.04990	0.7
71.32435	0.4
72.90187	0.4
73.02920	1.1
74.06082	100.0
75.04504	0.6
75.06414	0.6
79.05471	0.5
81.03415	2.3
84.04517	5.8
85.02912	3.9
86.06061	0.9
87.04488	0.5
90.69111	0.4
93.03397	0.5
95.04980	1.3
95.08637	0.4
97.02895	2.8
98.06060	10.2
99.04462	1.5
102.05549	8.6
107.04989	1.0
109.02859	1.9
111.04468	1.2
114.05525	0.9
116.07097	38.1
120.06582	19.5
121.02878	0.9
123.04424	0.9
127.03934	3.5
127.72293	0.4
128.04294	0.6
130.06519	0.8
131.04842	0.3
133.02866	0.8
135.04443	1.6
137.05997	0.7
139.03906	54.5
140.04213	0.8
141.05482	0.4
144.02119	0.7
144.06563	34.3
145.02898	0.4
145.04968	1.1
147.04440	0.9
151.03947	2.1
153.05450	0.6
158.06021	0.5
159.04350	0.9
161.87178	0.4
162.07631	14.2
163.03909	5.3
164.07129	0.5
167.03455	0.4
168.04291	0.5
169.05003	1.1
175.08614	0.4
177.05457	1.5
179.03415	0.5
181.04980	2.3
186.07628	0.5
192.08813	0.5
195.06531	1.9
200.09198	0.6
210.07669	0.6
216.08643	1.5
218.10275	0.6
223.05975	0.8
228.08710	1.2
234.09735	1.2
241.06474	0.5
246.09737	2.7
247.05998	0.5
258.09793	0.6
262.80176	0.4
264.10828	6.7
270.09790	2.5
288.10818	9.8
289.07025	0.4
306.06897	0.8
306.11871	6.3
306.17258	0.5
307.08264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2478
Annotation	14,15-Dihydro-16-helicallenoic acid
Peak:m/z	Relative Intensity
53.03942	6.8
55.01857	2.8
55.05517	19.6
56.27103	2.6
57.07056	6.7
67.05516	32.4
69.07069	20.1
71.59438	3.6
79.05063	4.2
79.05499	68.4
80.05843	2.6
81.03408	2.2
81.07071	35.9
83.04983	3.5
83.08623	10.2
90.24015	2.4
91.05480	26.0
93.07053	100.0
95.04964	8.7
95.08618	36.8
97.06527	4.0
97.10165	6.7
105.04555	2.7
105.07016	11.7
107.08596	53.5
109.06509	3.1
109.10171	14.3
117.07023	4.6
119.08592	11.3
121.10164	42.1
123.08028	2.7
123.11723	4.4
125.09647	4.4
127.03911	3.7
131.08543	5.5
133.10138	9.4
135.08066	2.7
135.11703	53.4
137.05981	19.2
145.10118	5.1
147.11703	5.7
149.13284	23.2
159.11717	3.7
161.13303	3.8
163.14839	7.8
177.16454	2.8
235.16789	3.1
263.20068	3.0
271.99066	2.6
273.18509	5.0
287.23849	4.8
305.21115	23.2
305.24768	76.8
306.21460	3.5
306.24820	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
50.51633	2.1
55.05515	16.0
56.96560	3.3
57.03448	2.9
57.07076	3.3
59.05001	2.9
67.05507	30.7
68.99769	3.7
69.03426	7.8
69.07068	22.7
69.30802	24.4
70.06590	2.8
71.04987	7.6
75.17294	2.1
79.05494	18.3
79.67764	2.6
81.03429	6.6
81.07060	63.7
82.77600	2.2
83.04990	5.5
83.08619	9.0
84.04482	2.4
85.02898	3.6
85.06563	4.5
91.05467	14.2
93.07050	35.6
95.04966	11.8
95.08615	44.1
97.06532	5.9
97.10168	7.6
98.20691	4.1
98.97578	3.6
99.04476	2.0
101.67559	2.1
105.07048	21.4
107.08611	40.7
109.02872	8.7
109.06512	8.6
109.10165	51.4
110.92712	1.9
111.00808	2.5
111.08096	4.3
114.83893	2.2
117.07036	3.7
119.08593	20.8
121.06584	2.7
121.10152	29.5
122.09679	16.2
123.04469	14.0
123.08086	4.4
123.11704	16.3
125.09632	4.8
127.03924	100.0
127.07543	2.2
128.04210	2.6
131.08575	6.0
133.02866	3.5
133.10155	14.3
135.08058	6.3
135.11688	15.0
136.07614	3.9
137.06001	7.5
137.09622	6.1
137.13228	10.2
139.03928	18.9
143.08553	3.2
145.10144	9.8
147.04379	4.8
147.08035	3.2
147.11719	10.5
149.02353	3.3
149.13266	23.9
151.03909	29.2
151.07553	3.4
151.11188	3.9
153.01836	2.9
159.11713	7.5
161.05978	2.6
161.09648	3.2
161.13266	7.4
162.46559	2.1
163.11270	2.5
163.14867	4.4
165.12729	5.2
173.13252	3.3
175.03912	6.8
175.11215	2.8
175.14871	5.2
179.03413	35.9
179.10692	3.9
187.14931	2.6
189.00746	2.7
189.16376	5.6
195.13860	3.5
203.03377	5.0
205.16008	2.7
211.07845	2.5
229.12207	2.6
231.06535	3.2
259.05972	3.7
259.24176	4.4
269.22626	2.4
285.11813	2.9
287.05444	9.1
287.13583	2.9
287.16516	6.8
287.23679	10.6
305.06583	32.7
305.14682	3.2
305.17697	4.2
305.21475	3.3
305.24750	58.0
306.07275	3.0
306.17413	2.4
306.20819	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	1.9
55.01852	1.0
55.05512	19.4
55.29435	0.9
57.03422	2.8
57.07080	8.0
59.04990	3.4
65.03935	3.2
67.05508	50.5
69.03441	4.6
69.07072	29.5
69.45691	5.9
69.46109	2.0
70.06597	2.6
71.01357	2.1
71.05000	8.3
71.08635	1.3
72.08150	0.9
73.85868	0.9
75.64117	0.8
79.05054	1.7
79.05495	21.5
81.03407	2.7
81.07060	100.0
82.07384	3.0
83.04977	4.2
83.08624	12.8
85.02883	1.3
85.06564	5.6
87.04491	1.1
88.07639	1.6
91.05485	18.1
93.07049	58.6
94.07356	1.6
95.01313	2.1
95.04972	23.9
95.08608	70.5
96.08942	1.6
97.06536	9.0
97.10165	9.2
98.20733	2.0
99.04477	1.3
99.08089	2.4
100.42551	0.9
105.07032	30.5
107.08601	42.6
109.02858	2.3
109.06527	15.1
109.10159	88.4
110.10428	1.9
111.00777	1.0
111.08077	5.0
111.11727	4.5
113.09665	1.0
117.07024	2.3
119.08583	22.9
121.06503	3.3
121.10149	64.7
121.76018	0.8
122.10536	1.6
123.04414	3.3
123.08068	4.4
123.11713	26.2
125.06038	1.2
125.09656	2.7
125.13260	2.7
127.03915	29.1
127.11223	2.8
129.07005	1.6
131.08559	7.8
133.10127	18.6
135.08029	2.3
135.11700	26.4
137.05965	1.5
137.09628	4.8
137.13245	7.7
139.03896	3.7
139.07538	0.9
139.11192	3.7
143.08556	2.2
145.10132	10.1
147.11699	17.4
149.09683	3.0
149.13269	21.3
151.03896	9.2
151.11162	5.2
151.14873	1.6
153.12759	1.6
155.03415	2.2
155.10684	1.3
157.10126	3.5
159.11705	13.8
161.09604	2.3
161.13274	7.2
163.11201	3.8
163.14841	5.6
165.05540	1.4
165.12807	5.9
167.10619	1.0
171.11723	2.6
173.11862	1.6
173.13283	5.2
175.04008	1.7
175.11198	1.3
175.14885	5.5
177.05505	3.1
177.12807	7.6
177.16342	5.7
178.05763	1.3
179.03375	10.2
179.10588	1.0
179.14249	1.2
181.12247	2.8
185.13239	1.2
187.14850	3.5
189.16394	3.4
191.14291	1.5
191.18010	1.1
195.13823	3.7
199.14851	2.0
200.20114	1.4
201.16472	2.1
203.03307	1.2
203.17973	2.6
205.15909	1.0
211.16920	1.2
213.16396	2.9
217.15926	1.0
227.17970	1.4
229.19565	1.2
231.17334	1.7
243.21216	1.0
244.22836	4.3
259.06229	1.2
259.24182	2.7
269.22656	9.0
277.25266	1.3
287.05542	4.0
287.16553	1.7
287.20578	1.8
287.23700	22.3
305.06595	11.5
305.13965	1.5
305.24777	82.7
306.21161	1.3
306.26108	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03924	1.2
55.01859	0.8
55.05262	1.1
55.05514	16.8
56.09106	0.8
57.07079	5.9
58.78575	0.9
59.04996	0.9
65.03935	1.1
67.05508	29.7
69.03412	5.3
69.07070	29.1
70.20306	3.5
71.04989	2.7
71.08636	1.2
79.05497	13.6
81.03416	1.1
81.07060	100.0
82.07406	1.6
83.04995	1.5
83.08617	13.9
85.06537	2.7
91.05476	7.0
93.07050	24.2
95.04967	3.1
95.08609	71.9
96.08968	0.8
97.06522	3.4
97.10161	6.7
100.11268	3.8
105.07032	12.3
106.07357	0.9
107.08597	27.4
109.02874	1.8
109.06502	4.8
109.10155	53.2
110.10508	1.4
111.08086	3.3
111.11706	3.9
113.09665	0.9
114.28735	0.8
117.06957	1.0
119.08572	12.3
121.06494	2.8
121.10149	27.4
121.11028	1.6
123.04401	1.8
123.08083	2.4
123.11712	23.1
125.06001	1.1
125.09635	1.7
127.03914	11.7
127.11187	1.1
128.04076	0.9
129.06978	1.0
131.08554	2.0
133.10114	13.7
135.08049	1.3
135.11703	11.8
137.05986	1.7
137.09598	2.8
137.13255	18.9
139.03920	2.4
139.07582	1.7
139.11148	2.2
143.08572	1.7
144.04247	1.0
145.10124	3.6
147.08049	2.0
147.11714	9.1
149.09641	2.1
149.13261	10.5
151.03925	3.4
151.11192	3.7
151.14830	2.6
153.09116	2.3
153.12689	2.4
156.13895	2.1
157.10167	1.5
159.11688	2.9
161.09650	9.2
161.13272	5.2
163.11215	2.4
163.14822	4.0
165.08990	1.0
165.12746	3.1
167.10710	2.2
171.11769	1.3
173.13251	2.4
175.11066	2.0
175.14790	4.1
177.12843	1.6
177.16441	4.6
178.85918	0.8
179.03423	3.8
179.10753	4.9
179.14302	0.9
181.12253	3.4
182.15372	1.0
185.13225	1.5
187.14784	1.2
189.12657	1.3
189.16435	4.4
191.14499	1.1
193.12247	2.1
193.15750	0.9
195.13899	1.2
199.14870	1.2
203.17929	2.8
205.19539	2.5
207.13863	0.9
213.16251	1.2
217.15892	1.3
227.17850	0.9
231.17398	1.3
235.16991	1.3
245.22643	2.7
249.18576	2.6
259.24252	5.4
269.22650	3.5
277.25201	1.3
285.11829	1.3
287.05576	1.4
287.23700	14.0
305.06604	3.9
305.24762	49.2
306.25116	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	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.2
56.05021	1.9
56.96553	4.9
57.03435	2.3
61.02925	2.6
65.03949	2.2
67.05493	3.5
68.04980	1.7
69.03412	4.8
69.07060	7.0
70.06606	13.6
71.57484	2.1
72.08142	7.1
74.00674	1.9
74.06068	7.2
76.02206	1.8
76.03983	4.6
79.05492	4.2
81.03413	3.3
81.07035	6.4
83.08633	2.0
84.04491	5.0
84.08192	2.4
85.02892	7.9
85.04032	2.4
85.06538	2.3
91.05485	23.0
92.88342	1.6
93.07029	5.1
93.58898	1.9
94.06553	3.6
95.04966	4.0
95.08588	5.9
97.02884	3.5
97.06552	2.0
97.07612	2.7
98.97621	2.1
105.07025	2.5
107.08572	3.3
109.02882	4.5
109.06539	1.6
109.10133	4.1
111.00768	2.1
111.04435	1.6
112.08724	5.1
114.10296	14.2
116.04992	11.5
116.07077	2.2
116.98645	2.1
117.05775	4.0
118.06561	23.8
119.07327	6.5
119.08556	4.3
120.08112	49.4
121.02824	3.8
122.06012	7.5
122.09631	1.9
123.04446	10.9
127.03915	49.2
128.04271	1.8
128.10690	9.5
130.05013	3.5
130.16925	1.9
130.80014	1.8
131.08531	2.2
133.02763	3.2
133.10001	2.5
134.05974	2.3
134.99669	3.5
136.07565	3.0
137.05962	2.7
137.09610	2.2
139.03937	10.0
140.07057	7.4
141.01772	2.5
142.08620	2.1
143.10626	2.7
146.06030	13.0
146.11755	7.4
146.99706	2.2
147.04388	4.2
147.06837	8.9
148.07593	12.4
149.01180	2.2
149.02330	4.8
149.09666	1.8
151.03900	18.7
152.07054	2.0
152.55368	1.6
153.01846	10.5
154.08482	2.0
155.03383	2.9
163.03842	2.2
164.07071	100.0
165.05472	2.4
175.03851	2.6
177.03305	12.4
179.03474	16.3
189.13094	1.8
195.02953	2.2
198.12769	1.9
203.03645	2.4
213.05460	1.8
213.13805	2.0
214.12315	2.5
215.09259	1.8
216.14075	1.9
231.06474	2.7
240.87701	1.8
241.13437	3.2
242.11745	12.7
243.14915	18.0
245.04964	2.1
259.06033	6.4
259.14261	3.9
266.55945	2.1
269.12741	12.1
270.11255	20.5
283.01297	2.5
287.05893	8.6
287.08752	2.3
287.13916	55.8
287.22461	3.1
288.06436	2.1
305.06693	18.8
305.10117	2.4
305.11697	2.1
305.14923	38.3
305.20667	7.3
305.24356	5.3
306.07016	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	305.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
55.05506	2.2
56.96576	0.9
57.03426	0.9
67.05506	6.0
68.07701	0.3
69.03442	0.9
69.07065	3.0
69.07390	0.4
70.06600	0.5
71.04983	0.8
71.59362	0.6
74.06090	0.4
79.05492	2.4
81.03438	1.1
81.07058	7.6
81.07518	0.6
83.05002	0.9
83.08616	0.8
84.04503	8.4
85.02906	14.4
85.06563	0.5
86.06066	0.6
87.04480	0.9
91.05501	1.5
93.07039	5.6
95.01350	1.1
95.04977	2.5
95.08613	8.1
96.30452	0.4
97.02883	0.8
97.06541	1.3
97.10172	0.6
98.97598	1.5
99.04453	0.4
102.05545	6.4
105.07027	2.3
107.08589	3.4
109.02891	1.1
109.06497	1.0
109.10154	8.1
111.08072	0.6
112.03970	1.7
113.02386	1.4
114.05512	1.9
116.98617	1.1
117.07079	0.4
118.06536	6.8
118.07332	0.6
119.08576	2.7
120.08108	0.4
121.06557	0.5
121.10142	3.5
123.04420	1.3
123.11708	1.4
124.07618	1.3
125.09608	0.4
127.03912	8.6
127.11145	0.4
128.98659	0.4
130.05003	41.9
131.00180	0.4
131.05357	0.8
131.08554	1.1
131.26633	0.4
132.08101	2.4
133.08868	1.4
133.10139	1.5
134.09618	0.4
135.11702	2.8
136.07585	1.5
137.05995	0.5
137.13268	0.5
138.05528	1.4
138.09102	0.7
139.03917	1.1
140.07080	0.8
145.10161	1.1
146.09645	2.9
147.04433	0.6
147.11687	1.7
149.01213	0.9
149.13225	1.7
151.03944	2.5
153.01839	0.7
155.03419	0.6
155.10696	0.5
156.03601	0.6
157.10091	0.7
158.99672	0.8
159.11697	1.0
161.01073	0.4
161.13234	1.1
164.07076	1.7
164.10738	1.5
165.12819	0.5
166.04979	0.5
173.11777	1.2
173.13228	0.7
175.03929	0.7
175.14767	0.8
176.14346	100.0
177.00717	0.8
177.14713	3.6
177.16272	0.5
179.03371	2.9
182.08139	1.0
187.06186	0.6
189.00803	0.4
192.10205	3.2
202.15918	0.9
206.08737	0.4
213.05391	0.4
214.58829	0.5
215.09253	0.7
215.17793	0.4
216.13815	0.5
224.08055	2.6
224.09920	0.6
224.58310	0.6
237.02805	0.5
241.13429	0.5
242.11734	0.4
251.20044	0.7
259.05743	0.4
259.14218	0.6
269.12888	0.8
269.22736	0.7
273.04001	0.4
287.05429	0.9
287.13962	3.7
287.23676	1.8
288.12637	0.6
288.15945	5.7
289.16165	0.4
296.12091	0.6
296.30960	0.3
305.06039	4.0
305.14923	6.1
305.18509	35.1
305.24274	6.7
305.60687	0.4
306.19022	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	305.1455
Annotation	Nopaline
Peak:m/z	Relative Intensity
55.05537	1.0
55.46269	0.7
56.05041	1.4
56.96566	1.6
57.03453	0.9
58.06602	1.1
59.62382	0.8
59.62713	0.8
60.05649	12.4
65.03949	0.8
68.05041	1.5
69.03428	1.5
69.94854	1.5
69.95273	2.7
70.06596	70.7
71.01372	3.0
71.04994	10.0
71.05310	0.9
71.06937	1.1
72.08157	4.7
74.06095	1.2
76.47466	0.7
78.58739	0.7
81.03430	1.2
81.04523	0.9
81.47372	0.7
84.04502	1.1
84.08168	2.1
85.02917	3.5
86.06094	2.8
86.85368	0.7
88.04007	9.7
88.07648	1.1
89.02425	2.2
95.06095	6.6
97.02922	0.9
97.07681	2.2
98.02393	0.9
98.06069	4.9
98.09684	4.7
98.97590	1.1
102.05598	1.2
103.04012	1.1
112.07626	1.4
112.08006	1.0
112.08736	9.9
113.06017	4.5
113.07170	1.5
114.05537	12.0
114.10322	2.9
115.08701	9.0
116.03504	1.3
116.07097	6.0
116.98674	1.4
119.01943	1.8
122.06004	1.0
123.04465	1.1
125.02399	1.8
125.07171	1.5
126.05537	0.9
126.09086	0.8
126.12792	1.3
127.03971	1.6
128.07164	2.4
130.05043	1.5
130.08694	14.7
130.09796	6.3
131.96176	1.4
134.04541	1.2
139.03969	2.2
140.07132	5.3
140.08133	1.4
142.08635	3.7
143.03462	2.5
143.08113	4.8
144.06615	0.9
146.08076	0.8
149.97224	1.2
151.03970	1.0
153.01965	1.2
158.06047	1.1
158.08167	2.6
158.09352	1.6
161.03000	1.1
163.88922	0.8
168.06549	4.9
169.09900	0.8
171.11368	1.3
172.09579	1.5
172.10847	10.5
173.09254	1.0
175.11909	5.4
176.12228	1.1
185.09312	1.8
186.07632	18.2
186.09389	1.5
189.13487	31.1
190.08316	0.8
200.09175	17.4
203.07721	0.8
204.08760	1.3
213.08812	1.8
214.07199	1.7
215.10245	0.9
224.10326	1.3
227.10291	1.4
228.08801	2.5
231.14543	1.7
242.11429	0.9
243.09845	0.9
245.05215	1.1
245.11496	2.3
246.09729	13.8
246.12126	1.0
259.14172	3.7
259.16443	1.0
270.10928	3.8
280.66635	0.9
287.12213	7.8
288.12149	1.9
305.06769	2.6
305.12192	10.5
305.14737	100.0
306.15057	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16524	0.9
53.52084	0.9
56.02426	1.0
59.04974	1.3
60.05361	1.6
60.05652	27.2
64.70007	0.9
68.05013	1.0
69.03420	1.2
70.06594	100.0
71.01365	2.0
71.05000	8.0
71.35571	2.1
72.08144	3.6
81.03421	5.3
85.02898	2.4
85.06542	1.5
88.03994	14.5
89.02399	2.6
95.06097	11.5
96.04469	1.6
97.02873	1.8
97.07648	2.1
98.02423	3.6
98.06065	9.7
98.09695	3.0
98.97591	2.7
99.04465	1.4
102.23919	0.9
110.02402	2.2
112.08728	11.4
113.02392	2.5
113.06030	10.0
114.05544	5.8
114.10305	2.0
115.08694	12.7
116.03463	4.9
116.98622	2.1
122.06056	2.3
122.07092	1.6
125.02348	4.5
126.05514	2.3
128.07095	2.4
130.08646	32.3
130.09612	2.1
132.04402	1.3
134.04417	1.4
134.99588	1.2
137.02338	2.5
140.07080	10.8
140.08131	2.2
143.03421	2.2
146.42213	1.0
149.06961	0.9
150.05513	9.7
155.08202	2.8
157.09683	1.0
157.10855	1.7
158.08104	2.9
164.08185	1.6
168.06572	20.1
172.09567	1.5
172.10849	15.9
173.09195	1.3
175.11880	1.6
182.09251	5.6
184.78778	1.1
185.09261	2.5
186.07635	14.7
189.13469	70.9
189.47237	1.2
190.13814	1.2
192.07756	1.6
195.07666	3.3
196.06076	3.9
200.09216	4.5
203.07607	1.2
210.07455	12.9
211.07208	1.1
213.08775	1.2
214.07130	6.3
217.00320	1.1
220.00636	1.1
224.10359	1.2
227.10301	1.8
228.08467	8.3
231.14468	1.2
242.11281	1.3
245.11572	5.3
246.09758	20.3
252.09784	6.1
259.14084	2.0
263.12335	1.2
270.10843	6.9
288.11954	1.9
305.14594	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40221	0.7
52.96999	0.8
53.03938	1.0
54.85152	0.8
55.01876	1.5
57.03438	3.5
58.06588	2.1
60.04521	6.5
61.02924	4.7
66.54722	1.0
69.03436	11.5
69.07072	35.2
70.73775	1.8
70.74111	1.0
71.04986	1.8
71.08638	19.0
71.43805	0.7
73.02905	2.4
79.33095	0.9
81.03419	6.5
83.08607	1.0
84.04513	2.9
85.02909	61.2
86.02413	4.9
95.08618	0.9
96.08128	2.3
97.02896	39.3
97.06541	5.8
99.04457	2.1
103.03953	5.9
109.02892	10.4
109.10187	0.8
109.15228	0.9
110.02392	1.1
114.09172	16.1
123.04427	1.8
124.07645	1.3
127.03919	16.7
130.06450	1.2
138.09102	1.7
139.03902	1.3
142.08641	100.0
145.04974	8.2
149.02362	1.5
156.10216	3.4
163.87723	0.7
166.08731	0.9
167.07031	2.8
168.07397	4.2
180.10164	1.5
184.09700	69.0
208.09703	17.5
220.09715	2.4
238.10736	2.7
250.10739	8.8
259.06125	1.0
268.11758	1.9
286.12857	1.6
304.14075	5.0
304.23538	1.3
305.06561	1.8
305.15619	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	305.0655
Annotation	5,7,3',4',5'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01861	3.2
55.05513	2.7
56.05048	0.9
56.96555	1.1
57.03436	1.9
62.23491	0.9
65.03942	3.6
67.05515	4.4
68.99786	3.4
69.03416	3.7
69.07060	2.1
69.83529	3.9
69.83943	1.9
70.06587	4.6
71.04979	1.9
71.90574	0.9
72.08138	1.1
74.06080	0.9
76.35565	0.9
79.05492	3.2
81.03406	1.5
81.07048	3.4
82.25952	0.9
83.04974	1.9
83.08609	2.2
85.02897	5.3
85.06522	1.7
86.06066	1.3
87.04479	1.1
91.05486	4.0
93.07027	3.4
94.06580	1.2
95.04968	5.1
95.08620	2.6
97.02876	2.1
98.97577	2.2
99.04428	1.3
105.03414	2.3
105.07014	2.6
107.08582	3.6
109.02873	3.0
109.06517	2.3
109.10159	3.2
111.04436	6.4
114.10288	1.7
116.98644	1.9
117.06991	1.5
118.06522	5.6
119.08578	2.7
120.08108	3.7
121.02854	8.8
121.06529	1.1
121.10128	1.3
122.06039	2.3
123.04427	75.4
124.04735	1.0
124.07567	1.2
125.09644	1.1
127.02953	1.7
127.03913	34.5
128.10658	1.9
129.06969	1.3
131.04950	2.2
131.08519	1.8
133.02866	3.1
133.10158	1.5
135.04422	3.7
135.11676	1.1
136.07576	5.4
137.02336	1.8
137.05959	1.4
137.09584	1.3
139.03899	13.4
140.07063	1.1
141.01837	1.6
142.08606	3.0
143.01955	1.4
143.07025	1.9
143.08923	1.5
143.10651	2.0
146.06020	7.8
147.04414	3.3
148.07541	1.5
149.02336	71.8
150.03177	2.0
151.03896	13.9
153.01823	100.0
154.02284	1.4
155.03357	3.0
157.06450	5.6
158.99617	1.1
160.75197	1.0
161.01268	0.9
161.02432	4.5
161.05965	1.1
164.07066	44.1
167.03421	11.4
167.04758	1.5
167.14290	1.3
171.02908	2.8
171.04303	1.6
173.13235	3.0
175.03938	3.2
175.07547	2.0
177.00726	1.3
177.03224	1.2
179.03386	15.6
184.09726	1.1
185.05998	7.7
185.09985	1.6
195.02881	17.2
203.03712	4.9
203.07092	1.3
205.08926	1.0
209.15298	1.6
213.05450	13.9
217.04956	1.3
219.06421	1.0
231.06520	51.3
232.06938	1.3
232.09644	1.7
241.05048	6.3
243.14748	1.0
245.04654	1.5
258.05197	2.3
259.06006	63.8
260.06339	1.8
269.12897	3.4
270.11218	1.1
273.04016	1.5
275.05536	1.0
277.07111	2.6
287.05515	28.4
287.08908	2.2
287.14008	7.1
305.06534	27.9
305.11612	1.8
305.14902	15.0
305.20923	2.0
305.24762	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40221	0.7
52.96999	0.8
53.03938	1.0
54.85152	0.8
55.01876	1.5
57.03438	3.5
58.06588	2.1
60.04521	6.5
61.02924	4.7
66.54722	1.0
69.03436	11.5
69.07072	35.2
70.73775	1.8
70.74111	1.0
71.04986	1.8
71.08638	19.0
71.43805	0.7
73.02905	2.4
79.33095	0.9
81.03419	6.5
83.08607	1.0
84.04513	2.9
85.02909	61.2
86.02413	4.9
95.08618	0.9
96.08128	2.3
97.02896	39.3
97.06541	5.8
99.04457	2.1
103.03953	5.9
109.02892	10.4
109.10187	0.8
109.15228	0.9
110.02392	1.1
114.09172	16.1
123.04427	1.8
124.07645	1.3
127.03919	16.7
130.06450	1.2
138.09102	1.7
139.03902	1.3
142.08641	100.0
145.04974	8.2
149.02362	1.5
156.10216	3.4
163.87723	0.7
166.08731	0.9
167.07031	2.8
168.07397	4.2
180.10164	1.5
184.09700	69.0
208.09703	17.5
220.09715	2.4
238.10736	2.7
250.10739	8.8
259.06125	1.0
268.11758	1.9
286.12857	1.6
304.14075	5.0
304.23538	1.3
305.06561	1.8
305.15619	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
53.67899	0.4
55.01854	0.7
55.05500	0.9
56.96564	2.0
57.03432	0.5
61.02924	0.9
69.03432	2.5
69.07066	0.6
69.60036	1.1
69.60457	1.9
70.06587	1.4
71.05002	0.5
72.08154	0.4
76.58765	0.4
79.05506	4.1
80.05038	0.5
81.03419	1.3
81.05810	2.1
81.07059	4.0
83.04989	0.6
84.04507	0.4
84.96039	0.7
85.02911	4.9
86.06055	0.7
86.09703	1.5
94.06577	0.7
95.04961	0.9
95.08580	0.5
96.04497	1.6
96.08134	7.6
97.02885	1.9
98.20757	0.8
98.97591	2.6
99.04456	0.7
106.06519	0.5
109.02898	0.8
110.97542	0.7
112.07600	0.7
114.05527	0.6
116.98615	2.2
117.30260	0.4
122.06038	0.8
123.04454	5.4
124.07596	100.0
124.22552	0.4
125.07932	1.0
127.03937	3.0
128.98618	1.3
134.99663	1.3
139.03888	1.6
142.08638	16.9
143.03391	0.7
143.11803	0.5
146.99641	1.0
151.03871	0.7
154.08632	0.5
161.01295	0.5
162.99146	0.4
165.00714	0.9
177.00719	0.6
177.04333	0.6
179.03445	0.5
185.09227	0.6
189.00684	0.7
219.01779	1.0
220.02190	0.5
236.32254	0.4
237.02827	3.0
238.03198	1.0
269.08475	0.5
304.10928	0.6
304.13873	1.6
305.09079	0.9
305.11987	0.5
322.08957	1.7
323.10236	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14025	0.6
56.96296	0.9
56.96567	17.4
67.05502	0.6
69.03429	0.8
69.07046	0.7
70.06601	1.2
71.58491	1.1
71.95676	0.6
74.06090	0.8
74.97611	5.0
79.05491	1.5
81.03407	0.7
81.07025	0.9
85.02903	2.9
86.09711	1.3
86.97581	0.8
91.05486	0.7
92.98666	1.2
95.04967	1.2
95.08610	1.0
97.02869	1.1
98.97574	2.7
100.01369	0.6
107.04955	100.0
108.05325	1.2
109.02858	0.7
116.07095	0.7
116.97236	1.3
116.98606	2.8
117.97995	0.7
123.04427	2.0
124.07569	1.3
127.03906	3.2
130.06635	0.6
132.98077	1.0
134.01256	0.9
134.99660	2.7
137.06071	0.8
139.03893	3.3
142.08618	1.7
145.05008	0.7
145.97461	1.0
150.99155	7.1
151.03909	1.5
153.00677	1.2
153.01833	0.9
155.03476	0.6
161.04865	7.5
165.05516	0.9
169.00233	5.5
174.00729	0.8
174.99138	0.6
177.04338	0.8
179.03397	1.1
179.05898	6.2
179.08904	0.6
180.08781	0.7
185.09265	0.8
189.00598	0.7
192.01831	0.7
193.00294	2.4
194.98021	0.7
219.05428	1.5
223.04799	0.9
229.02515	1.0
234.49034	0.6
237.02803	1.4
237.06526	1.3
251.70938	0.6
263.04382	9.5
281.05447	5.8
287.05487	0.8
304.10995	1.9
304.13794	0.8
304.23474	0.9
305.06580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53551	1.0
56.96566	41.3
63.85024	1.0
67.05508	1.4
69.07063	2.4
70.06591	2.6
70.12210	4.0
71.95267	1.4
84.96025	1.2
88.07650	2.5
91.05513	1.5
92.98663	1.5
95.08604	2.7
96.08910	1.3
97.06533	1.1
107.08610	2.6
121.10104	1.4
123.01187	2.8
127.03925	7.4
128.51788	1.1
135.08057	1.3
137.05943	1.4
138.06337	1.3
139.00598	1.6
139.03900	1.7
141.02214	2.0
142.08673	1.2
146.99692	1.9
151.00574	1.1
151.03922	2.9
153.02231	3.2
155.03773	1.6
157.01755	3.9
159.03273	1.6
167.03772	2.3
169.01730	3.8
171.03279	13.5
173.04922	3.2
175.02831	1.7
179.03607	1.9
181.05377	1.4
183.03297	3.9
185.04840	5.7
187.02719	2.5
189.04341	7.7
197.04922	3.6
199.06384	7.7
201.04274	2.2
203.05893	7.6
208.06500	1.6
211.06412	1.8
215.05896	2.4
217.07506	8.4
217.09326	1.7
221.08698	1.5
225.08046	2.8
235.10138	2.1
237.02808	1.3
237.07904	1.7
242.21242	2.2
243.09006	1.4
245.08435	2.0
251.09544	3.1
253.11133	2.8
255.08855	1.3
263.09515	17.4
269.10678	3.3
281.10611	100.0
282.11005	2.7
299.11670	81.1
300.12140	1.8
304.12195	26.1
304.23724	1.7
304.28384	5.3
305.06528	3.9
305.12347	1.5
322.13281	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	303.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.16145	0.4
55.01860	0.6
55.05510	1.2
56.96572	0.7
57.03433	1.0
61.02936	0.6
61.93560	0.4
67.05489	0.8
69.03422	1.6
69.07070	3.6
70.06616	0.8
70.78488	1.4
71.08623	1.6
78.04727	0.7
79.05505	0.9
81.03414	1.5
81.07065	0.7
83.05027	0.5
84.04482	0.6
85.02905	4.1
86.02415	0.5
87.62576	0.4
91.05462	1.2
92.02611	0.5
93.07058	2.2
95.04982	1.5
95.08625	2.3
97.02908	3.0
97.06500	0.5
98.97559	0.8
103.05450	1.1
104.04969	0.5
105.07035	1.7
106.04174	0.4
107.04946	1.1
107.08616	0.8
109.02839	3.2
109.10136	0.9
110.03248	0.6
111.03336	0.5
111.04427	0.6
114.09172	1.4
116.98631	0.6
119.08563	0.6
121.06525	1.6
121.10149	0.6
123.04433	4.4
124.05209	1.6
127.03941	1.5
132.03456	0.9
132.04463	17.3
133.06454	1.0
133.10077	0.7
135.08090	0.9
135.11713	1.0
137.05978	2.3
139.03928	0.8
142.08643	7.7
143.00185	1.9
145.05057	0.6
145.10078	0.7
147.33464	0.5
149.05971	2.8
151.03952	0.7
151.07555	0.8
151.59563	0.5
152.04698	1.3
153.05508	0.8
153.09117	0.9
161.01228	1.7
161.06039	0.8
162.12843	0.4
166.06177	1.0
167.07053	100.0
168.07404	1.2
171.10139	0.9
179.07054	0.6
181.08591	2.6
184.09711	4.7
191.03519	0.6
193.08630	3.7
208.09702	0.8
209.08160	0.7
211.09702	5.5
221.46019	0.5
227.09175	0.8
229.10754	1.2
249.02817	2.1
250.10735	0.6
257.22684	0.6
267.03909	2.1
273.02850	0.7
291.03900	4.1
303.05023	0.8
303.14151	3.7
303.23007	1.4
309.05096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58316	0.9
53.03937	1.5
55.05515	5.7
56.96572	1.8
57.07071	2.5
65.03917	1.6
67.05507	9.9
69.03421	2.1
69.07062	7.5
71.04977	1.3
71.58633	1.3
79.05492	6.8
81.07062	14.1
82.06583	1.6
83.04981	2.6
83.08608	3.9
84.45583	0.9
85.02872	1.6
85.65337	0.9
89.25481	1.0
91.05478	9.0
93.07040	14.1
95.04970	4.9
95.08607	25.9
96.08146	1.2
97.06535	2.7
100.11269	5.4
103.05429	2.1
105.07042	7.1
107.04935	1.6
107.08602	12.8
109.02845	1.4
109.06513	3.4
109.10159	14.7
110.09687	2.7
111.04469	2.5
113.09651	1.1
116.98622	1.5
118.06554	2.6
119.04957	2.2
119.08566	8.3
120.08106	11.5
121.06544	2.0
121.10139	9.4
122.03642	2.6
122.09676	24.2
123.04485	1.3
123.06802	1.7
123.08089	2.7
123.11695	3.3
125.09628	1.5
131.04965	1.6
131.08597	3.0
133.10150	6.7
134.99574	1.1
135.08081	4.3
135.11725	7.5
136.07590	4.1
137.05989	39.5
137.09624	2.6
137.13235	2.4
138.09143	100.0
139.11151	1.1
140.10733	1.5
143.08539	1.3
145.02852	1.5
145.10092	3.5
146.05991	1.8
146.99602	1.2
147.04417	2.1
147.08052	1.6
147.11690	4.5
148.07555	8.0
149.06007	2.5
149.13242	4.4
150.06798	1.4
150.09100	1.5
151.07544	4.4
151.11162	1.0
153.05426	2.7
153.06999	2.0
153.09071	1.3
155.08585	2.1
159.08154	1.8
159.11691	2.6
161.09628	1.9
161.13248	3.5
163.07520	2.2
163.11241	1.6
163.14767	2.3
163.39854	1.1
164.07079	52.7
165.05611	1.8
165.07034	4.8
166.08649	74.7
167.07045	1.1
171.11641	1.1
173.05913	1.0
173.09607	1.1
173.13246	2.8
175.11180	1.2
175.14819	2.3
177.05467	3.4
177.09164	1.0
179.08426	1.1
179.10658	1.0
181.06509	1.6
181.12071	1.1
183.08061	4.6
185.09645	0.9
187.14874	1.4
193.06512	1.3
193.12218	1.5
201.16438	1.8
203.17908	3.4
207.04539	1.2
211.07494	5.4
215.10732	1.1
221.15474	1.1
225.16481	1.1
232.13330	1.5
243.10217	4.4
257.16666	1.5
257.22644	3.9
259.18054	6.9
261.18683	1.5
271.09647	7.0
285.15994	10.0
285.18817	1.9
285.22098	3.1
303.04990	5.8
303.11896	4.8
303.16989	18.2
303.19824	2.2
303.23053	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	303.1341
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
55.05515	1.5
56.05045	0.8
57.07067	1.2
60.49514	0.6
65.03937	0.6
67.05495	1.3
68.99780	1.0
69.07062	1.9
71.14556	1.0
79.05487	1.2
81.07056	1.9
82.06583	0.9
85.02877	0.9
87.08107	7.8
91.05476	1.4
93.07063	1.1
94.06567	1.9
95.04972	1.2
95.08610	2.3
95.80535	0.5
98.06072	0.7
102.05544	1.4
105.07009	0.7
106.06544	1.8
107.08601	0.9
108.08135	0.7
109.10159	1.1
110.06042	5.9
110.09662	2.1
112.07604	0.6
116.04959	1.1
120.04474	10.9
121.02893	0.6
122.06065	3.4
124.07621	3.9
128.07085	1.9
133.10152	0.8
134.06032	2.9
135.11662	0.8
137.02324	1.7
137.05997	2.2
138.05467	0.8
139.05017	1.0
140.07066	7.9
141.07861	5.7
142.08650	15.2
144.04453	0.9
147.11609	0.6
153.01813	1.2
154.08669	1.8
162.05511	100.0
163.05984	1.8
164.07045	1.3
169.97873	0.6
182.11778	8.5
209.12935	3.2
211.07436	0.6
212.90773	0.6
214.14403	6.8
216.10196	1.2
217.13435	0.6
229.05014	1.9
241.15445	5.1
243.11269	1.3
244.09732	1.3
257.04474	0.7
257.22421	0.6
258.11319	3.0
261.12372	8.1
279.13443	3.5
285.12271	2.4
286.10739	2.5
303.05063	14.3
303.08603	1.6
303.13431	16.0
303.16779	0.6
303.23184	1.9
304.05481	1.0
304.13721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
56.96568	37.2
61.02934	2.0
65.28979	1.5
67.05500	6.8
69.03416	3.8
69.07071	1.9
69.95781	9.5
70.06596	11.1
72.08179	2.0
77.03915	2.2
79.05493	2.9
81.03419	2.2
81.07056	3.3
83.72299	1.9
84.96024	10.1
85.02902	7.2
91.05499	2.0
93.07054	3.9
95.04973	3.3
95.08620	11.5
97.02865	2.4
98.97585	62.3
105.03363	3.0
105.07053	3.3
107.08585	6.3
109.10172	4.5
110.07165	1.7
110.97562	14.9
112.07613	2.0
113.06010	2.0
116.98621	42.0
119.08552	3.1
121.10156	3.8
122.06020	4.2
123.04434	89.0
123.06357	3.3
123.11723	2.1
124.04771	5.7
124.07613	5.3
128.98607	29.5
131.00188	7.3
132.04443	3.3
133.10147	2.9
134.99666	26.4
135.08109	1.5
135.11682	3.5
136.81096	1.4
139.03839	1.8
140.00217	1.7
140.03438	3.3
140.98586	2.5
141.05403	2.3
142.08647	2.2
143.00177	3.0
144.98044	2.0
146.99663	35.0
147.11649	1.8
149.01230	6.0
149.13266	3.3
150.50737	1.4
152.98555	3.3
153.00673	2.0
153.09116	2.5
158.01202	2.5
158.99652	8.6
159.03307	14.4
161.01216	10.1
162.99182	3.9
165.00691	4.8
167.07030	5.7
170.01134	2.0
170.99681	11.6
171.01213	3.1
177.00726	16.2
177.04300	10.8
179.02205	1.7
187.02867	1.7
189.00713	11.2
195.01865	2.8
201.00691	4.1
201.04362	4.5
201.16298	2.4
213.04413	2.1
213.90536	1.7
214.05177	1.7
219.01752	31.8
219.05322	3.3
223.08260	1.7
234.03065	1.8
237.02803	100.0
238.03271	2.9
242.03394	3.1
242.07275	2.2
243.05453	4.3
251.04446	4.3
255.01544	1.5
255.03773	8.5
257.22537	4.0
260.04419	7.0
261.06604	3.4
269.05487	1.8
285.22076	1.7
303.07730	24.4
303.10489	40.5
303.16061	3.3
303.23306	7.8
321.08557	85.4
322.08813	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	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03941	0.2
53.40036	0.2
55.01880	0.5
55.05500	0.8
56.96553	0.7
57.07063	0.2
65.03929	0.6
66.16328	0.2
67.01847	0.3
67.05511	2.0
68.99789	1.7
69.03417	0.3
69.07066	0.8
69.43123	1.2
69.43535	0.5
69.43821	0.2
70.06585	0.3
71.04991	0.2
73.82810	0.2
79.05500	1.1
81.03403	0.7
81.07046	2.1
83.04964	0.4
83.08627	0.4
85.02898	0.3
89.03912	0.8
91.05499	1.3
93.03397	0.5
93.07063	1.4
95.04964	1.6
95.08606	3.2
97.02888	0.2
97.06513	0.5
97.10182	0.4
98.21448	0.5
98.97574	0.8
103.05491	0.4
105.07024	1.2
107.04969	0.4
107.08570	1.6
109.02887	1.2
109.06487	0.2
109.10172	1.7
111.00803	1.3
111.04433	0.6
111.08086	0.3
116.98624	0.9
117.03374	1.4
117.06987	0.6
119.04955	0.4
119.08579	1.1
120.08109	0.6
121.02871	1.7
121.06495	0.3
121.10143	1.2
122.03647	0.3
123.04421	0.8
123.08073	0.3
123.11691	0.5
127.03921	0.5
128.37978	0.2
129.06976	0.5
131.04916	0.8
131.08568	0.5
133.06494	0.5
133.10118	1.0
134.99678	0.7
135.04422	1.0
135.08090	0.3
135.11678	0.7
137.02338	6.3
137.03412	0.4
137.05974	4.0
137.09651	0.3
137.13240	0.3
138.05482	0.8
138.09123	0.5
141.09126	0.4
145.02838	2.7
145.06456	0.4
145.10118	0.7
147.04384	0.6
147.11671	1.0
149.02312	0.6
149.05948	0.5
149.13194	0.5
151.03909	0.2
151.07536	0.5
151.11255	0.2
151.41460	0.2
152.07217	0.2
152.17567	0.2
153.01831	8.0
153.05475	0.3
153.07048	0.3
155.04889	0.6
155.08524	0.2
159.04356	0.4
159.11688	0.4
159.71150	0.2
161.05954	0.8
161.13264	0.6
163.03891	1.3
163.07582	0.3
163.11221	0.2
163.14870	0.2
164.07117	0.3
165.01845	3.1
165.05557	0.3
165.06972	0.6
166.02605	0.5
166.05013	1.1
167.07101	0.2
173.06042	1.5
173.13245	0.5
175.14838	0.7
177.00681	0.4
177.05472	5.1
177.12772	0.2
178.05022	0.6
183.02878	1.3
183.04445	0.8
183.08055	0.4
187.03938	0.7
187.14812	0.4
191.03386	0.3
195.02965	0.3
197.05977	0.2
201.03749	0.3
201.05504	4.0
203.17934	0.5
205.04941	0.4
211.04033	0.3
211.07567	0.6
219.03104	0.3
228.04152	0.4
229.04962	8.5
229.07281	0.4
230.05499	0.3
235.02576	0.3
239.03410	0.3
243.10187	0.4
247.05945	1.0
257.04449	4.5
257.12955	0.5
257.22696	0.6
258.04980	0.3
268.02463	0.2
269.04913	0.2
271.09656	0.6
272.11615	0.3
274.04727	1.4
274.09576	0.3
275.05377	0.4
275.14056	0.2
283.04910	0.4
285.03940	2.0
285.12207	1.3
285.21927	0.3
303.04987	100.0
303.12692	4.2
303.23032	2.9
304.05338	4.7
307.04849	0.4
309.13687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83960	0.1
54.08573	0.1
55.01869	0.3
55.05492	0.2
56.96555	0.2
59.95906	0.1
61.02962	0.1
65.03933	0.5
67.01856	0.3
67.05486	0.5
68.99788	1.6
69.03411	0.3
69.07050	0.2
70.14467	0.2
70.14875	0.5
71.01347	0.2
71.04996	0.1
79.05483	0.3
81.03423	0.8
81.07039	0.5
83.04989	0.1
85.02889	0.3
85.07665	0.1
90.86414	0.1
91.05486	0.3
92.49397	0.1
93.03399	0.5
93.07043	0.4
95.04961	1.0
95.08594	0.7
97.02906	0.3
97.29975	0.1
98.20770	0.2
98.97601	0.6
100.63364	0.1
103.05449	0.2
105.03418	0.1
105.07005	0.3
105.35618	0.1
107.04978	0.3
107.08569	0.3
109.02888	1.3
109.10131	0.3
111.00806	1.8
115.05443	0.3
115.48563	0.1
116.98604	0.3
117.07007	0.3
119.04964	0.1
119.08543	0.2
121.02869	2.0
121.06499	0.1
121.10068	0.2
123.04421	0.8
127.03880	0.6
129.06999	0.2
131.04916	0.3
131.08557	0.1
133.02846	0.2
133.06534	0.2
133.10117	0.2
135.04411	0.4
135.08154	0.1
135.11653	0.2
137.02342	7.0
137.03365	0.3
137.05954	1.4
138.02641	0.2
143.77640	0.1
145.02818	0.3
145.06471	0.5
149.02345	0.6
149.05981	0.2
151.03905	0.2
151.07558	0.2
153.01826	9.1
154.02176	0.2
155.04947	0.9
155.06071	0.2
157.06447	0.2
158.99680	0.1
159.04453	0.2
159.11795	0.1
161.06032	0.7
163.03906	1.4
163.05339	0.1
163.05785	0.1
163.07390	0.1
163.14784	0.1
165.01836	3.5
166.02542	0.5
167.03418	0.2
171.02902	0.2
173.05992	1.1
173.13272	0.2
177.00655	0.3
177.05478	0.3
179.03389	0.3
181.04942	0.1
183.02873	1.3
183.04431	1.0
183.08008	0.2
187.03920	0.9
191.03383	0.3
192.32237	0.1
195.02908	0.3
200.04575	0.1
201.05470	3.8
205.04987	0.5
207.02917	0.2
207.14034	0.1
208.95317	0.4
211.03920	0.3
211.07576	0.2
213.05574	0.2
215.03369	0.2
219.02975	0.2
219.06541	0.5
226.96365	0.5
228.04218	0.5
229.04956	8.9
230.05379	0.3
232.03593	0.1
239.03445	0.4
243.10159	0.2
245.04616	0.2
246.05264	0.2
247.06047	1.2
253.95078	0.2
257.04456	4.9
257.98230	0.9
258.04825	0.2
262.98709	0.7
271.09680	0.2
274.04724	1.3
275.05316	0.3
280.99823	1.0
282.09244	0.4
285.03949	1.9
286.04349	0.2
291.09274	0.3
292.08768	0.2
302.03867	0.2
303.04987	100.0
303.22910	0.8
304.01877	0.2
304.05316	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03955	0.1
55.01864	0.3
55.05493	0.1
56.96570	0.1
65.03948	0.5
67.01851	0.4
67.05482	0.3
68.99436	0.1
68.99792	1.7
69.03416	0.3
69.07069	0.2
70.66148	0.2
70.66505	0.3
79.05489	0.2
81.03428	0.7
81.07046	0.4
91.05467	0.3
93.03401	0.5
93.07029	0.3
95.01289	0.1
95.04988	0.9
95.08581	0.6
98.97592	0.1
99.22329	0.1
103.05479	0.2
105.03383	0.2
105.07020	0.3
107.04934	0.3
107.08594	0.3
109.02877	1.1
109.06520	0.1
109.10185	0.3
111.00810	1.6
111.04474	0.3
115.05430	0.2
117.07008	0.3
119.04932	0.1
119.08574	0.2
121.02864	2.1
121.06482	0.1
121.10100	0.2
123.04449	0.8
124.07626	0.2
125.02387	0.1
127.03918	0.6
129.06978	0.1
131.04939	0.3
133.02844	0.2
133.10120	0.1
135.04396	0.4
135.08104	0.1
135.11705	0.2
137.02353	7.5
137.03394	0.4
137.05972	1.6
138.02682	0.2
140.00233	0.1
145.06487	0.8
145.10062	0.1
147.04390	0.2
149.02348	0.8
151.03911	0.2
153.01834	9.2
154.02219	0.1
155.04909	0.8
157.06535	0.2
159.04424	0.3
161.06007	0.5
162.05481	0.7
163.03952	1.4
163.07585	0.1
165.01831	3.6
166.02571	0.5
169.01268	0.1
171.02928	0.1
173.05998	1.3
177.01918	0.1
177.05440	0.2
179.03412	0.4
183.02898	1.4
183.04453	0.8
185.05972	0.2
187.03938	0.9
189.05574	0.1
191.03421	0.3
191.07004	0.3
194.02081	0.1
194.12016	0.1
195.02873	0.4
201.05475	3.7
201.16483	0.2
202.05766	0.2
205.04999	0.5
207.02911	0.2
208.95329	0.3
211.03934	0.4
213.05525	0.2
215.03467	0.1
217.04988	0.1
219.03004	0.2
219.06523	0.5
228.04210	0.5
229.04976	8.5
230.05298	0.4
233.04295	0.1
239.03362	0.4
245.04536	0.3
246.05269	0.1
247.06067	1.4
257.04453	5.3
257.98193	0.2
258.04874	0.2
271.02380	0.1
271.09787	0.1
274.04776	1.4
275.05447	0.4
280.99908	0.2
285.03946	2.0
285.12363	0.2
286.04303	0.1
302.04111	0.1
303.05002	100.0
304.05331	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	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01868	0.4
55.05503	0.5
56.96559	0.3
57.03418	0.2
65.03941	0.4
66.67722	0.1
67.01862	0.4
67.05507	1.7
68.99794	1.7
69.03423	0.7
69.07056	0.6
71.04986	0.3
71.36855	0.2
71.59881	0.3
73.02917	0.2
79.05489	0.6
81.03407	0.7
81.07059	1.5
83.04944	0.2
83.08616	0.5
85.02937	0.2
89.12067	0.2
91.05474	0.7
93.03407	0.5
93.07042	1.7
95.04987	0.9
95.08613	4.4
95.09227	0.3
97.02897	0.3
97.06520	0.3
97.10158	0.2
97.88853	0.2
98.97597	1.3
103.05476	0.4
105.07048	1.0
107.04929	0.2
107.07342	0.3
107.08597	1.8
109.02874	1.0
109.10154	1.9
111.00806	2.0
111.04440	0.3
115.05446	0.3
116.98621	0.9
117.07021	0.5
119.08599	1.1
121.02871	2.2
121.06510	0.3
121.10161	1.3
122.03664	0.2
123.04423	0.7
123.08053	0.5
123.11724	0.7
125.05996	0.3
127.03913	0.7
131.04926	0.7
131.08594	0.3
133.06497	0.3
133.10158	1.1
134.99652	0.4
135.04401	0.6
135.08063	0.2
135.11696	1.6
137.02347	6.6
137.05975	3.3
137.09660	0.2
137.13278	0.2
138.06349	0.2
143.08636	0.2
145.02840	0.5
145.06490	1.0
145.10252	0.3
147.11708	1.0
149.02338	0.7
149.13263	0.6
151.03856	0.2
153.01842	9.4
153.05453	0.4
154.02165	0.3
155.04935	0.7
157.06512	0.3
157.10118	0.2
158.99678	0.4
159.04433	0.3
159.11661	0.5
161.05986	0.6
161.13210	0.8
162.05521	0.4
163.03923	1.2
163.07549	0.5
163.11235	0.2
163.14822	0.6
165.01851	3.3
166.02670	0.3
171.73157	0.2
173.05986	1.2
173.13313	0.5
175.14871	0.3
177.00697	0.6
177.05473	0.5
178.03757	0.2
179.03430	0.4
183.02887	1.6
183.04449	0.9
187.03912	1.0
187.14821	0.4
189.16505	0.2
191.03375	0.4
193.05089	0.2
195.02892	0.6
201.05444	3.9
201.07127	0.2
201.16475	0.3
203.17946	1.0
205.05020	0.4
207.13780	0.3
210.07347	0.5
211.04001	0.3
213.05534	0.3
219.02924	0.3
219.06581	0.6
221.15146	0.2
228.04228	0.7
229.04974	8.8
230.05269	0.5
239.03404	0.5
243.21130	0.3
247.06049	1.3
252.08324	0.6
257.04462	5.1
257.12930	0.2
257.22687	1.1
258.05005	0.3
271.09497	0.2
273.08664	0.2
274.04709	1.2
275.05319	0.6
282.09204	0.8
282.59598	0.4
285.03992	1.9
285.12259	0.3
285.22147	0.5
303.05008	100.0
303.23090	2.9
304.05347	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	303.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.5
61.74823	0.2
67.05515	0.5
69.07063	0.4
71.40655	0.2
71.40999	0.3
72.09029	0.2
72.42506	0.2
81.07050	0.7
82.99929	0.2
93.07043	0.5
95.08138	0.2
95.08624	1.9
98.97591	1.4
101.00893	0.6
105.07024	0.3
107.08588	0.8
109.10155	0.7
113.88892	0.2
116.98618	1.5
117.98943	0.2
119.01141	0.4
119.01931	5.3
119.08572	0.5
121.10145	0.7
122.97868	0.3
123.11716	0.2
124.12159	0.2
126.55238	0.2
133.10135	0.6
134.99693	1.8
135.11668	0.5
135.99989	0.2
137.02971	3.0
138.03081	0.2
138.98961	0.3
145.10158	0.4
147.11690	0.2
149.13371	0.2
153.00807	0.4
158.99796	0.4
161.13231	0.5
163.14786	0.3
166.32129	0.2
177.00958	12.4
178.01038	2.4
179.00806	0.9
183.00081	0.3
189.04497	0.2
201.00937	0.8
201.16418	0.3
202.01012	0.3
203.17958	0.5
217.04109	1.9
218.03865	1.3
219.02019	22.4
220.02107	4.7
221.01764	2.8
222.01906	1.2
223.01778	0.2
225.00870	2.7
225.02742	0.2
226.01097	0.4
234.99799	0.3
242.03546	0.8
243.01964	6.3
243.04179	0.5
244.02031	1.2
256.96774	0.4
257.22711	0.6
258.99899	0.3
260.04791	0.3
261.03064	100.0
262.03210	22.2
263.02945	2.5
266.03583	0.3
267.03644	0.3
275.04712	0.2
277.00916	0.3
278.01166	0.3
279.00412	1.9
279.98071	0.4
280.01080	0.8
281.00137	0.4
284.04675	6.3
284.99854	1.6
285.04837	2.2
285.22049	0.4
289.06235	0.2
298.98468	0.2
301.01001	0.4
303.00839	3.2
303.05344	6.0
303.23230	1.5
304.00870	0.3
320.97916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03942	0.3
55.01871	0.4
65.03931	0.5
67.01847	0.2
67.05498	1.0
68.99793	1.8
69.03426	0.3
69.07059	0.3
70.00359	1.0
78.28130	0.2
79.05491	0.3
81.03399	0.7
81.07040	0.8
88.74460	0.2
91.05478	0.5
93.03402	0.7
93.07071	0.4
94.12912	0.2
95.04964	0.8
95.08627	1.1
97.19664	0.2
98.20865	0.3
105.07001	0.2
107.04934	0.4
107.08585	0.5
109.02904	1.3
109.10154	0.7
111.00816	1.6
113.34296	0.2
114.25874	0.2
117.06990	0.4
119.04946	0.3
119.08607	0.4
121.02866	1.8
121.06504	0.3
121.10133	0.4
121.18127	0.2
123.04411	0.9
127.03923	0.5
129.06972	0.4
131.04924	0.3
133.06461	0.2
133.10106	0.3
135.04404	0.4
135.25383	0.2
137.02347	7.1
137.03403	0.5
137.05946	0.6
145.02901	0.3
145.06529	0.7
147.11710	0.3
149.02342	0.7
151.03870	0.4
153.01830	9.2
154.02216	0.4
155.04921	0.7
161.06007	0.6
163.03905	1.1
165.01860	3.5
166.02585	0.3
173.05966	1.2
175.11214	0.2
177.05431	0.4
179.03476	0.4
183.02893	1.7
183.04428	0.7
187.03922	0.9
189.16524	0.2
195.02881	0.3
201.05467	4.1
205.05109	0.3
211.03932	0.4
213.05588	0.3
219.06563	0.4
228.04141	0.7
229.04974	9.3
230.05423	0.3
231.02788	0.3
232.03577	0.2
239.03488	0.3
247.06088	1.2
247.80931	0.3
257.04425	4.6
274.04840	1.2
275.05563	0.5
285.03961	2.3
303.05002	100.0
304.05322	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25515	2.2
57.03456	4.3
61.02942	7.0
67.05522	5.5
69.03445	13.0
69.07100	3.3
69.95552	9.9
70.06600	22.8
72.08162	6.5
73.02905	2.3
79.05502	5.6
81.03442	7.6
81.07065	9.7
85.02913	79.4
86.09708	4.1
91.05518	5.6
95.04964	2.9
95.08646	2.5
97.02898	43.3
98.21390	3.6
103.03951	4.7
103.71264	2.0
108.08146	14.8
109.02898	14.3
112.07613	14.7
121.21828	2.3
122.06046	7.7
125.06001	5.7
126.05527	4.7
127.03936	17.8
136.07605	15.4
140.07077	54.5
145.04997	14.3
150.09143	5.8
152.07108	21.2
154.08588	5.5
158.08141	2.5
163.06006	3.0
164.07123	20.3
178.08685	18.6
182.08147	100.0
182.09764	5.6
206.08142	40.6
227.06966	2.8
236.09097	3.8
248.09349	14.2
293.80768	2.9
302.11542	14.2
302.16000	2.6
302.22098	2.5
303.12509	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01861	1.5
57.03435	3.3
61.02913	2.8
62.32711	0.9
65.03954	1.5
67.05508	28.9
68.05858	1.0
69.03429	13.8
69.07069	8.2
69.67015	6.6
70.06592	2.4
71.04992	2.0
73.02901	0.9
79.05461	0.9
81.03413	3.7
81.07056	0.8
84.08131	2.4
85.02911	37.5
86.09725	1.2
93.07037	0.8
94.06551	1.4
95.04974	42.3
95.08595	2.2
97.02900	30.6
97.06521	1.0
98.20822	1.2
98.97604	1.6
99.04458	2.0
103.03933	4.2
103.25029	0.8
107.08593	1.2
109.02873	6.4
109.10158	1.1
112.07612	35.1
113.06011	3.2
119.08477	1.0
122.06020	2.3
123.04421	1.6
124.07619	1.8
127.03940	6.6
136.07594	2.9
137.05943	1.6
140.07072	100.0
141.07474	1.6
145.04980	4.1
147.89085	0.9
150.09137	0.9
154.08661	5.9
170.08122	0.8
178.08704	1.8
182.08138	56.8
198.56798	0.8
206.08101	13.2
218.08179	2.2
236.09184	3.1
248.09224	7.3
284.11349	1.1
302.12201	3.6
302.21976	2.2
303.14105	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.0
56.94303	9.4
56.96564	10.7
57.07079	37.1
59.06107	3.4
60.86830	3.1
67.05507	7.2
69.03426	4.7
69.07062	4.4
69.88979	21.3
70.95875	9.6
71.08656	3.5
72.08147	12.7
72.93781	44.3
79.05521	4.0
81.07037	5.9
85.02889	14.5
85.06553	13.7
86.09725	20.5
88.96882	6.1
90.94824	62.2
91.05488	6.1
93.07062	7.4
95.04974	5.3
95.06078	6.1
95.08611	17.4
96.06381	4.0
97.02897	9.3
98.21522	3.1
102.94824	9.1
104.96371	7.6
105.06987	3.7
107.04987	3.5
107.08559	4.7
108.95863	63.4
109.10160	6.9
113.96394	41.9
116.98647	3.6
119.08593	7.4
120.95846	17.8
122.06043	3.4
122.97433	12.5
125.96113	6.1
128.99977	4.7
130.97926	4.3
131.97430	38.6
132.04440	4.6
135.04399	4.6
140.03429	20.7
140.07104	11.9
147.01045	13.9
147.11702	4.7
148.95349	56.9
148.98982	19.3
150.96907	3.7
163.03925	6.2
165.01979	4.4
166.96382	100.0
171.96875	8.7
178.96388	4.0
182.08170	11.4
183.67162	3.1
185.16528	12.6
186.73834	3.3
189.02188	3.7
189.97948	4.9
193.01712	5.9
203.00005	3.5
213.15981	7.9
217.01601	13.7
221.01088	32.1
235.02643	44.2
239.02174	6.7
240.03197	63.3
243.83990	3.3
256.03244	10.8
258.04150	31.9
261.00568	28.2
279.01614	14.4
281.05884	5.6
301.21631	5.3
302.03751	14.6
302.21979	14.4
322.57507	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	302.0872
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03945	0.3
55.01860	0.6
56.96558	0.8
57.03429	0.8
61.02914	1.0
64.09905	0.3
69.03430	2.5
69.76905	1.8
70.06578	0.5
71.04977	0.7
73.02912	0.6
78.03452	0.9
81.03408	1.4
81.52864	0.3
85.02910	8.1
87.04483	0.4
91.03946	0.4
95.04968	1.2
95.08614	0.3
97.02904	2.5
98.97601	3.3
99.04485	0.7
104.04998	0.3
109.02866	0.7
112.67195	0.4
116.98611	2.0
122.02395	0.8
122.06039	0.5
123.04437	2.5
127.03924	1.8
128.98558	0.7
131.87744	0.3
132.04463	9.5
133.04819	1.0
134.99667	0.7
137.02336	0.9
140.03432	100.0
141.03783	1.1
145.04976	1.3
146.99698	0.4
152.07195	0.4
158.99678	1.5
170.99696	0.3
177.00737	2.1
219.01794	1.0
227.06691	0.4
237.02872	1.0
291.07648	0.6
302.08835	4.0
302.22134	0.7
303.10587	1.1
309.08591	3.6
310.09174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2165
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05493	8.0
57.07070	3.2
65.03931	2.6
67.05499	8.2
69.07081	5.4
71.02541	5.4
79.05499	4.7
81.07040	8.2
83.08608	4.3
91.05480	7.4
93.07048	13.2
95.08612	54.2
97.10147	2.5
98.99529	2.2
105.07033	13.0
107.08607	20.1
109.10165	12.9
110.07169	3.3
111.04421	3.8
119.08578	14.6
120.70230	2.5
121.10159	13.2
123.11699	7.7
124.08659	2.6
131.08586	2.9
133.01045	2.2
133.10109	13.4
135.11667	9.9
137.13228	2.8
145.10149	8.0
147.11700	7.5
149.13226	5.2
151.09964	2.4
157.10063	5.2
159.11685	8.4
161.09674	3.3
161.13274	5.8
163.14952	2.7
171.11723	5.7
173.13268	5.1
179.10672	4.8
185.13295	4.9
187.11162	3.8
187.14737	3.5
199.14731	3.9
201.16322	3.7
203.17961	5.8
205.12248	10.4
213.12602	3.1
217.12253	5.4
218.69255	2.7
219.13699	3.6
227.14189	3.5
231.13867	9.7
241.19493	6.0
245.15450	5.9
255.21132	8.3
283.20496	9.4
286.04984	3.8
289.78091	2.6
301.07074	7.3
301.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05498	29.6
64.64871	7.4
67.05495	35.3
69.07056	22.6
71.58638	10.5
79.05490	24.2
81.07058	31.7
87.05374	8.1
91.05466	29.8
93.07041	51.7
95.08606	100.0
105.07020	35.8
107.08622	50.8
109.10161	26.5
111.04485	12.5
117.07025	8.4
119.08563	42.6
121.10146	36.4
123.11676	14.3
125.05943	15.0
131.08562	18.9
133.10144	23.0
135.11662	16.8
138.49245	8.6
142.07834	9.4
145.10123	19.9
147.11644	16.5
157.10121	19.4
159.11659	14.5
161.13281	9.4
169.10284	9.3
171.11716	9.6
185.13249	10.4
188.87093	7.7
205.12343	8.1
210.13524	8.0
212.25778	7.9
231.13817	12.1
255.21086	12.6
283.20560	10.2
285.03925	10.6
286.04706	17.1
300.83865	10.2
301.07108	26.0
301.21616	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	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05513	14.5
56.05034	4.7
67.05495	15.0
69.07061	11.9
71.15918	5.6
71.16216	5.1
79.05496	12.8
81.07043	17.7
83.08640	7.3
91.05492	9.9
93.07063	32.4
95.08617	89.3
101.09534	4.3
105.07030	22.1
107.08612	31.9
109.10146	24.3
119.08579	31.8
121.10126	22.6
123.11681	11.8
125.06020	5.8
131.08522	12.4
133.10168	28.2
135.08118	3.7
135.11690	16.7
143.08551	7.3
145.10143	18.8
147.07948	4.3
147.11731	14.6
149.13263	7.7
157.10184	5.8
159.11671	18.5
161.13281	11.4
163.14825	4.7
171.11739	11.2
173.13272	10.9
177.09090	4.7
179.10742	6.6
185.09619	4.9
185.13269	6.4
187.11201	9.4
187.14813	11.4
197.13203	5.1
199.14857	9.2
201.12839	5.3
203.17984	6.2
205.12344	6.6
213.12741	6.7
217.12207	4.0
231.13823	14.4
241.19359	7.4
245.15405	8.1
255.21179	11.6
265.19568	5.0
283.20557	13.6
286.04889	7.4
300.97772	4.3
301.07004	14.0
301.21695	100.0
305.99619	4.4
323.89136	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	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.62489	2.4
55.05512	14.7
57.07073	5.2
61.84044	3.0
67.05501	20.3
68.87550	2.9
69.07060	12.2
71.58594	5.1
79.05495	8.2
81.07070	20.3
83.08614	7.7
85.07629	3.3
91.05480	13.6
93.07040	31.3
95.06118	3.0
95.08608	95.5
96.15305	3.0
97.10167	5.1
105.07033	18.5
107.08593	38.1
109.06472	3.1
109.10143	24.9
110.07178	5.2
111.04431	5.8
112.08768	3.4
117.07047	5.6
119.07798	3.8
119.08588	32.7
121.10146	25.3
123.11707	12.2
125.06003	7.1
129.07040	3.4
130.55939	2.9
131.08580	9.6
133.10159	21.7
135.11713	25.5
137.05927	3.2
141.68733	2.9
142.07768	4.3
142.10634	3.4
143.08539	9.0
145.10112	17.9
147.11725	15.6
149.13266	7.4
151.07564	5.4
156.09380	3.7
157.10143	12.7
159.11684	14.7
161.09598	6.0
161.13251	10.5
163.14862	4.1
165.09201	3.0
169.10097	5.7
171.11703	8.4
173.09612	3.8
173.13281	6.3
175.11185	3.6
175.14789	3.6
177.09053	3.4
179.10657	6.9
183.11624	3.0
185.13275	7.9
187.11203	8.6
187.14809	6.9
191.10622	3.1
196.49623	2.9
199.11234	4.5
199.14803	9.2
201.16428	6.1
203.10641	4.1
203.17993	11.1
205.12308	11.8
213.12723	5.4
217.12154	7.9
219.13750	5.6
227.14407	5.3
231.13730	10.5
239.18008	6.1
241.19667	3.6
245.15413	10.3
255.21127	14.8
283.20560	15.4
286.05148	3.8
301.07208	4.4
301.18747	4.5
301.21631	100.0
302.21973	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01874	30.0
55.05518	31.9
56.96563	5.3
57.03444	36.0
57.07081	5.0
59.05006	3.8
60.04525	6.9
65.03934	4.2
67.05511	63.0
69.03432	10.3
69.07069	27.7
70.06601	30.8
71.04993	9.4
71.60087	4.9
72.08179	3.1
73.02924	7.9
76.08278	2.3
77.03931	2.7
79.05501	52.2
81.03416	12.2
81.07058	50.0
83.04990	42.6
83.08625	17.2
85.02916	10.5
85.06586	2.7
86.09705	9.2
87.04512	3.0
89.03935	2.5
91.05485	39.6
93.03458	2.7
93.07052	67.6
95.04978	19.8
95.08616	95.1
97.02912	8.9
97.06534	20.0
97.10184	12.1
98.07329	4.1
98.97610	7.4
99.04465	10.7
99.08069	3.4
100.50854	2.3
103.05481	4.0
105.07060	31.4
106.05047	5.2
107.04961	17.9
107.08597	48.9
109.02882	6.0
109.06541	9.0
109.10162	40.6
111.04459	81.1
111.08094	22.3
112.07601	4.2
115.05514	3.2
116.04708	14.1
116.98626	4.3
117.03417	2.9
117.07017	16.5
119.04951	9.0
119.08597	46.4
121.02879	5.3
121.06532	9.3
121.10149	46.4
123.04455	4.4
123.08073	6.2
123.11725	8.3
125.06008	9.9
125.09647	8.9
127.07790	2.4
127.08694	5.5
128.98578	3.8
129.05499	37.5
129.07022	8.8
130.07796	3.3
131.04907	4.2
131.07680	3.6
131.08562	22.4
133.06490	2.9
133.10127	24.3
134.06046	3.2
134.99712	3.8
135.04422	10.3
135.08058	3.2
135.11710	42.6
137.02357	14.8
137.05983	16.1
137.09605	4.5
139.03955	6.7
139.07585	7.8
139.11192	3.4
140.07135	3.1
141.06912	4.9
142.07793	3.6
143.07068	9.3
143.08586	9.9
145.02838	3.1
145.06468	4.2
145.10115	27.5
146.99660	2.9
147.04407	3.4
147.08022	5.5
147.11728	21.5
149.06007	20.7
149.09695	3.7
149.13266	8.3
151.03949	9.8
151.07590	5.7
152.06226	7.9
153.05673	2.2
153.07013	17.6
153.09109	5.3
153.12770	27.2
154.07774	3.0
155.08524	10.4
157.08742	14.2
157.10014	13.8
159.11691	19.9
161.05991	4.3
161.09676	3.0
161.13295	10.3
162.09138	3.8
163.03946	21.8
163.05151	3.9
163.07523	3.5
163.11214	47.2
165.05653	4.7
165.07037	14.4
167.07257	3.3
167.08583	4.7
169.06487	4.6
169.10165	6.3
170.07272	5.1
171.08044	4.0
171.10278	4.7
171.11714	10.3
173.05991	3.4
173.09634	16.5
173.13271	9.5
175.11275	2.7
175.14888	4.6
176.07069	16.5
177.05518	17.8
179.10715	8.1
180.05724	3.8
181.06479	29.9
181.12239	57.8
182.07117	4.8
183.08020	8.5
185.09691	3.5
185.13284	9.2
187.07552	4.1
187.11198	5.6
187.14886	5.6
189.09232	3.2
189.11256	11.9
191.03406	40.4
191.10681	58.4
194.07344	3.2
195.08121	8.0
196.05225	3.1
197.06050	10.5
198.06798	11.7
199.07565	2.6
199.11203	5.6
199.13283	5.9
199.14841	9.4
200.14053	5.8
201.16431	5.0
203.17889	4.8
205.12300	7.2
208.05214	3.3
209.05986	5.3
209.11676	17.7
211.07523	8.1
212.08330	3.4
213.05354	2.9
213.09105	11.1
213.12932	4.2
213.16539	4.6
215.07068	6.1
217.04979	3.0
217.12270	6.1
219.13818	5.3
223.07538	6.8
226.06270	12.2
227.12769	84.5
227.14827	4.5
228.07697	4.3
228.61031	9.3
231.13841	10.4
233.15417	3.2
237.02856	7.9
238.08704	8.4
238.86047	3.4
241.08559	17.5
241.15776	2.6
241.19525	5.1
242.09344	3.1
243.06723	4.0
245.04506	4.5
245.15411	7.1
251.07321	4.5
251.61360	3.0
255.21129	10.4
258.05252	4.6
259.06122	7.6
269.08038	7.1
273.11475	3.0
283.10867	2.7
283.15399	15.6
283.20508	15.0
285.04007	11.1
286.04770	20.7
301.03534	7.6
301.07123	74.2
301.10788	100.0
301.16476	80.9
301.21674	87.4
302.04175	3.0
302.07443	5.4
302.11154	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	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61162	0.6
53.03961	1.1
55.01881	1.6
55.05510	3.3
56.96554	2.3
57.03431	2.0
63.19958	0.7
65.03932	0.9
67.05510	4.8
69.03409	1.7
69.07085	3.3
70.06583	2.8
71.04993	0.7
71.19341	1.6
72.08160	3.9
72.48008	0.6
73.02926	3.8
79.05501	3.9
81.03417	1.4
81.07048	3.7
83.04981	1.0
83.08630	1.5
84.04485	0.9
84.08152	0.8
85.02894	1.4
85.06559	0.8
85.07690	0.8
86.09714	1.7
91.05473	3.4
91.72729	0.7
93.07050	7.5
95.04976	2.2
95.08612	10.8
97.02898	1.1
97.06524	1.2
97.10176	1.1
98.97617	0.9
99.04432	1.2
105.07021	3.7
105.07682	0.6
107.04958	1.3
107.08604	6.6
109.02885	1.5
109.10148	3.7
110.06021	0.7
111.04463	2.4
111.08074	0.8
113.05994	0.8
116.98610	1.0
117.07011	1.1
119.08578	5.7
121.06539	2.2
121.10159	3.8
123.04420	2.0
123.11684	1.1
125.05976	1.6
127.03931	1.2
129.06931	0.6
130.06500	0.9
131.08580	1.6
133.04973	1.4
133.10136	2.8
135.08051	1.0
135.11708	2.2
137.02359	1.0
137.05991	1.7
138.09143	1.6
139.03963	1.1
139.07544	1.1
140.04703	4.0
143.08575	1.6
143.11755	1.1
145.10146	2.6
147.11681	2.0
149.05977	1.2
149.13316	1.3
151.03888	0.8
153.05510	1.2
155.07034	6.0
156.07860	0.6
157.10120	1.6
159.11711	2.7
161.06015	0.8
161.13274	1.6
162.05464	0.7
163.03830	0.9
167.07062	0.9
169.10190	0.7
171.11716	2.4
173.08157	1.5
173.13274	1.6
175.14758	0.7
177.05516	1.5
179.10652	1.4
181.04977	6.0
181.06369	1.3
185.08104	1.0
185.13237	1.9
187.11082	0.9
187.14818	1.3
191.03429	1.2
191.10654	0.8
197.09988	1.0
199.11127	1.0
201.12674	1.0
201.16457	1.0
205.12234	1.1
209.08035	1.6
217.62689	0.7
219.13834	0.9
227.09155	4.7
231.13853	1.5
237.02718	1.2
245.15424	1.9
255.02960	1.2
255.11301	0.7
255.20998	1.9
261.03210	0.9
273.03726	0.9
283.10306	0.8
283.16663	1.2
283.20569	1.7
301.03485	1.7
301.12616	100.0
301.21573	15.1
302.07620	0.9
302.13297	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.68347	0.6
52.24173	0.5
52.75847	0.6
66.01062	0.6
67.05498	1.2
71.33965	1.3
71.59297	0.5
79.05438	0.6
82.99995	0.6
93.07018	1.0
94.04199	0.8
95.08591	2.3
109.10127	0.6
119.08593	0.9
121.02890	3.5
133.10123	0.7
135.11708	1.1
153.01897	0.6
173.52368	0.5
184.05165	1.0
188.04720	1.4
206.72835	0.6
212.04716	1.3
213.05440	2.7
229.05048	2.5
241.05013	0.7
257.04465	1.8
258.05261	10.6
269.04245	0.7
285.03955	25.7
286.04721	73.2
287.05078	3.2
301.07083	100.0
301.21613	2.5
302.07401	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	301.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.1
55.05500	1.8
57.03420	0.7
65.03933	0.5
67.05508	1.7
69.03424	4.6
69.07053	1.5
70.05194	0.6
70.06584	1.0
71.33176	1.2
79.05499	0.9
81.03419	25.2
81.07050	1.7
83.04975	2.1
83.08607	0.5
85.02906	1.0
86.09643	0.6
89.06049	1.0
90.06390	0.6
91.05478	1.5
93.03409	0.5
93.07053	2.0
95.04977	0.8
95.08604	6.6
96.85841	0.6
97.02903	1.8
98.97578	0.5
99.04437	1.3
100.41386	0.4
105.07012	1.9
107.04879	0.6
107.08585	2.5
109.02882	100.0
109.10157	1.8
110.03231	1.4
111.04433	5.9
119.08589	2.9
121.02853	0.6
121.06562	0.8
121.10167	1.9
123.04422	0.5
123.11703	0.7
125.02335	0.9
127.03943	4.7
129.05487	3.3
133.06442	0.5
133.10159	1.8
135.11726	1.7
139.03891	1.5
145.10153	1.1
147.06554	1.1
147.11690	1.4
149.13283	0.8
157.10130	0.8
159.11681	1.1
161.13272	0.7
162.05562	0.8
163.14758	0.6
171.11703	0.6
173.13251	0.7
177.05597	1.0
179.10612	0.9
185.13263	0.6
205.12183	0.6
231.13860	0.8
241.19583	0.6
245.15332	0.7
248.94922	0.5
255.08699	1.0
255.21107	0.8
256.03418	0.6
283.20456	0.8
284.17740	0.9
301.09573	0.8
301.12164	2.4
301.18332	0.7
301.21637	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	300.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19538	1.0
55.05515	3.5
56.05033	2.7
56.96555	2.1
60.05639	1.1
67.05495	1.8
69.03431	2.2
69.07053	1.5
70.06596	27.3
71.60033	1.6
72.08161	14.4
74.07770	0.9
74.09396	1.0
74.09731	10.6
79.05495	1.4
81.03419	3.5
81.07060	2.4
83.08649	1.3
85.02898	2.8
86.09723	2.3
88.03983	1.5
91.05489	3.1
93.07030	1.5
95.04964	2.0
95.08607	4.1
96.08133	1.0
97.07656	6.4
98.09700	100.0
98.97591	1.2
100.11265	2.3
105.07056	2.3
107.04909	1.0
107.08570	2.4
108.08132	1.5
109.02886	7.0
109.10146	1.2
110.09698	4.4
111.04431	2.2
112.08733	6.0
114.10302	34.7
116.07104	3.4
116.98643	0.9
119.08609	2.3
120.04377	1.1
124.07623	2.1
132.04454	2.6
133.10173	1.7
134.05936	1.1
135.11713	1.5
137.05956	2.0
138.02669	1.5
138.05530	1.2
139.03905	2.7
140.11839	3.7
145.10181	1.5
147.04395	1.5
149.05962	0.9
151.03908	1.4
152.14352	32.6
153.14670	1.4
157.14497	36.6
158.14912	1.1
159.11781	1.0
161.09811	1.0
161.13214	1.1
162.05492	1.4
163.03975	2.2
167.07010	1.5
168.10242	1.8
176.76558	1.0
177.32927	1.2
187.11264	1.1
193.68452	1.0
201.13477	24.0
202.13908	1.5
211.19176	15.8
214.10847	1.4
237.02899	1.1
255.18239	2.3
273.19287	5.2
283.20892	1.1
300.02194	1.4
300.05350	2.5
300.12708	2.2
300.20370	1.2
301.03229	1.2
301.07101	2.1
301.10382	1.3
301.21683	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	301.0345
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
52.15865	0.7
53.14044	0.6
55.05503	1.9
57.07074	0.9
57.56579	0.7
59.30588	0.6
61.06419	0.6
65.03947	0.6
67.05492	2.4
69.03417	1.1
69.07068	1.2
70.06582	0.6
71.57787	1.2
79.05488	1.6
81.03394	1.1
81.07052	2.2
83.08628	1.2
84.54359	0.5
85.02900	0.7
85.07652	1.1
89.03458	0.6
91.05463	1.1
93.03393	0.8
93.07072	3.3
95.08611	9.8
97.10179	0.9
97.73776	0.6
105.07030	1.8
107.08602	2.4
109.02876	1.9
109.10155	3.1
111.04458	1.4
115.05446	1.1
117.06973	0.8
119.08567	3.1
121.10155	3.5
123.04457	0.6
123.11674	1.0
125.06024	0.8
131.08531	0.6
133.10136	3.0
135.11705	2.2
139.03935	0.9
145.06427	0.8
145.10136	2.3
147.11700	1.9
149.13255	1.0
155.04936	2.8
157.10138	1.2
159.11659	2.6
161.13268	1.3
163.14803	0.8
171.04417	3.0
171.11710	0.9
172.05219	0.9
173.13263	1.0
183.04425	2.8
183.11774	0.7
184.05212	2.4
185.13202	0.8
187.11008	0.9
190.02608	0.7
191.03465	0.9
191.10825	0.6
199.03925	7.4
199.14799	0.7
200.04662	4.3
205.12352	0.9
211.03929	1.1
212.04642	2.0
213.05612	0.7
215.03474	1.9
227.03419	3.6
228.04178	7.4
231.02913	2.4
241.19604	0.7
243.02678	1.0
245.04555	2.9
245.15331	0.9
255.02898	66.8
255.21210	0.9
256.03595	10.8
273.04001	4.8
283.20578	1.5
301.03448	100.0
301.12466	9.0
301.18201	1.2
301.21606	11.8
302.03705	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0701
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.04986	0.1
55.01871	0.1
55.05518	0.2
56.55648	0.1
65.03956	0.1
66.01080	0.5
67.05493	0.4
68.02628	0.2
68.93124	0.1
68.99794	0.4
69.07071	0.2
70.72054	0.3
74.96291	0.1
78.01095	0.6
79.05494	0.2
81.07063	0.5
84.02096	0.1
84.48957	0.1
91.05502	0.3
93.07036	0.4
94.04186	1.1
95.08607	1.5
96.02108	0.1
105.07044	0.4
107.08593	0.5
108.02059	0.1
109.10159	0.2
111.04430	0.2
119.08585	0.4
121.02869	4.3
121.10133	0.3
122.03188	0.1
123.11715	0.1
125.05947	0.2
126.03135	0.2
131.08583	0.1
133.10132	0.3
134.03665	0.3
135.11714	0.3
136.01578	0.4
137.02353	0.6
143.08545	0.1
144.09511	0.1
144.84288	0.1
145.10104	0.3
147.04338	0.1
147.11700	0.2
149.13261	0.1
153.01799	0.5
157.10124	0.1
159.11665	0.2
160.05231	0.1
161.06006	0.2
161.13272	0.2
165.01793	0.2
171.11592	0.1
173.13142	0.1
175.52640	0.1
181.06523	0.2
184.05194	1.5
185.05888	0.2
185.13268	0.2
188.04678	1.4
189.05417	0.2
193.01357	0.4
201.12749	0.1
201.16451	0.1
202.06183	0.3
205.12108	0.1
210.01630	0.5
212.04674	1.6
213.05478	2.7
214.05806	0.1
215.03371	0.2
216.04216	0.1
229.04961	3.1
230.05646	0.3
231.13771	0.2
240.04114	0.8
241.04953	1.1
245.15448	0.1
255.21092	0.2
257.04471	1.7
258.05249	11.3
259.05627	0.5
269.04480	0.7
272.03183	0.4
283.20615	0.3
285.03955	28.8
286.04718	76.7
287.05078	3.6
287.08313	0.1
301.07071	100.0
301.21576	1.5
302.07410	5.7
302.10922	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	300.0624
Annotation	3'-hydroxy-biochanin A
Peak:m/z	Relative Intensity
51.30839	0.4
51.31226	0.5
53.89140	0.4
55.05507	0.6
57.07070	0.4
69.03416	1.0
69.07045	0.6
70.06573	1.2
71.60931	0.5
76.06836	0.4
81.03386	0.4
82.22847	0.4
83.08620	0.4
91.32754	0.4
94.04187	1.2
95.01344	2.2
95.04973	1.0
95.08609	0.9
105.07011	0.4
107.04922	0.5
107.08609	0.7
108.02098	0.4
111.04479	1.8
119.08570	1.1
120.08881	0.9
121.02000	0.8
121.02872	16.6
122.03669	0.7
123.00731	0.7
127.05312	0.5
128.06186	0.4
132.10226	0.8
133.02898	0.5
133.10143	0.6
137.02333	0.6
145.06488	1.3
149.02386	0.7
151.03914	1.3
155.03348	0.5
155.05005	0.4
158.10738	0.4
173.06058	2.1
179.03307	0.4
183.04408	1.2
197.06035	0.7
198.06770	0.7
201.05447	2.2
207.02895	0.5
211.03961	1.1
213.05527	1.1
215.03412	0.8
224.03145	0.8
225.05420	0.7
226.06216	0.5
227.07080	1.7
229.04962	8.3
233.04408	1.2
241.04993	1.1
243.06522	1.8
244.07448	0.4
254.06007	0.5
255.06456	0.9
256.03720	3.0
257.04456	20.6
258.05011	0.7
269.04254	0.7
270.05228	1.2
271.06018	12.8
272.06821	6.2
273.47433	0.4
283.06030	1.1
284.03220	2.8
285.03925	0.5
299.05527	31.2
300.06287	100.0
300.20273	1.2
300.29001	6.4
301.06589	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13910	1.4
55.01872	2.0
55.05499	5.8
56.96563	1.6
57.03443	2.1
57.07064	2.9
58.81755	1.5
67.05511	10.5
69.03426	3.1
69.07076	7.6
69.91836	6.0
69.92246	2.6
70.06599	1.9
70.39006	1.4
79.05492	5.7
81.03429	1.8
81.07053	13.2
81.60465	1.2
83.04954	2.3
83.08609	2.9
85.02881	2.6
85.06528	2.3
91.05454	8.4
93.07033	9.0
95.04968	1.8
95.08604	11.4
97.02880	2.1
97.10169	1.6
98.21439	1.8
98.97610	2.4
100.70512	2.1
103.05447	1.7
105.07040	6.9
107.04993	2.0
107.08607	8.3
109.02851	2.7
109.06548	1.9
109.10185	7.4
111.04479	1.7
116.98608	2.6
119.08592	13.7
121.06515	2.8
121.10133	3.6
123.08114	2.4
123.11760	2.9
131.08548	2.2
133.10144	5.3
134.99649	1.9
135.11673	2.5
137.02333	3.2
137.06001	1.8
143.08559	2.5
145.10141	3.0
147.04428	3.2
147.11656	4.1
157.10100	3.5
159.11748	4.0
161.09601	3.0
171.11705	3.6
177.00595	1.5
183.11772	2.0
195.09930	100.0
196.02449	1.4
196.10286	3.0
197.13416	2.0
199.14908	1.9
208.29160	1.6
239.07132	2.3
256.03296	3.2
270.51294	1.9
281.17419	2.6
291.33411	1.5
299.06073	3.0
299.09222	7.4
299.14795	3.4
299.19989	10.1
300.05936	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	9.4
53.03942	5.7
55.01866	8.8
55.05269	2.8
55.05515	44.2
57.03437	31.0
57.07062	3.2
59.04988	6.6
65.03922	2.1
67.05502	27.6
69.03426	3.6
69.07062	5.9
69.11050	1.4
69.84750	9.1
71.01351	6.1
71.04963	2.1
73.02887	2.2
79.05495	18.2
81.03422	8.6
81.07060	36.3
83.04978	4.4
83.08620	26.2
85.06551	2.8
91.05485	39.4
93.07043	35.5
95.04965	12.1
95.08598	11.8
97.02890	9.0
97.06538	5.9
97.10154	3.2
99.00820	48.6
99.04453	2.5
99.08106	1.4
103.05490	2.2
105.06378	2.8
105.07031	37.1
107.04951	8.7
107.08590	17.3
109.02878	20.1
109.06541	7.1
109.10155	14.1
111.04429	2.8
111.08121	8.4
115.03938	6.6
117.07027	7.0
119.08583	23.6
121.06506	14.8
123.04445	2.9
123.08048	2.3
123.11689	4.4
127.03910	4.7
128.06212	4.8
131.08536	3.7
133.06497	3.9
133.10130	68.6
135.08096	2.0
135.11700	3.7
137.05954	3.4
137.09576	4.3
139.07542	6.9
143.08542	7.7
145.06433	1.9
145.10143	2.8
147.04401	2.1
151.11189	25.4
159.16490	1.5
161.09616	37.9
163.11172	2.9
165.09077	2.0
171.08060	6.7
171.11676	2.2
172.46187	1.4
173.13272	1.8
173.46712	1.4
179.10667	24.8
189.09111	24.9
195.53601	1.4
197.11687	14.5
197.13213	2.2
205.35469	1.4
207.10161	13.3
225.11206	49.7
243.12234	8.3
299.14896	100.0
299.19666	7.5
300.15265	4.1
317.47183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37495	0.5
67.05506	0.6
68.63649	0.4
69.61637	2.3
69.62055	1.1
70.06569	0.5
73.21286	0.4
74.36919	0.4
74.82550	0.4
79.05476	0.6
79.80108	0.4
85.02897	0.5
85.22385	0.4
86.09722	1.0
95.04964	0.9
98.20803	0.6
103.05435	0.8
107.04959	21.9
115.05499	2.1
117.06992	0.8
119.08535	0.7
121.66979	0.4
127.05409	0.6
128.06226	1.1
131.04968	1.2
132.10168	0.4
133.06578	0.4
136.05138	0.4
137.02357	0.7
138.02669	0.6
143.04907	1.2
145.06477	4.9
151.07533	1.4
154.06505	1.4
155.04927	22.3
155.06010	0.8
156.05681	2.5
160.05176	1.2
161.05986	0.8
164.04970	0.8
165.09131	0.8
170.03610	1.0
170.05978	0.5
171.04440	3.6
173.05975	1.6
174.06740	1.7
177.09117	0.7
180.04483	0.8
182.06036	4.1
183.02916	0.8
183.04422	6.6
184.05185	2.4
187.03923	1.2
188.04654	3.4
189.05533	0.9
189.09116	3.8
192.04367	1.0
193.05234	0.5
198.05463	0.6
199.03908	7.5
200.04727	5.9
201.05476	2.7
206.03198	0.5
208.03937	1.1
210.05490	5.2
211.03906	1.6
216.04243	2.1
217.04868	0.6
220.03937	1.7
226.02707	0.9
226.05006	1.8
227.03387	2.2
229.04968	3.6
236.03453	0.6
237.09116	0.9
238.04958	3.4
244.03679	7.8
245.04472	26.8
252.11469	2.8
254.04341	2.7
255.02901	1.6
256.04120	0.5
268.10910	1.8
273.03961	10.7
282.03946	6.8
283.13281	10.7
300.05045	100.0
300.15955	11.3
301.05307	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13910	1.4
55.01872	2.0
55.05499	5.8
56.96563	1.6
57.03443	2.1
57.07064	2.9
58.81755	1.5
67.05511	10.5
69.03426	3.1
69.07076	7.6
69.91836	6.0
69.92246	2.6
70.06599	1.9
70.39006	1.4
79.05492	5.7
81.03429	1.8
81.07053	13.2
81.60465	1.2
83.04954	2.3
83.08609	2.9
85.02881	2.6
85.06528	2.3
91.05454	8.4
93.07033	9.0
95.04968	1.8
95.08604	11.4
97.02880	2.1
97.10169	1.6
98.21439	1.8
98.97610	2.4
100.70512	2.1
103.05447	1.7
105.07040	6.9
107.04993	2.0
107.08607	8.3
109.02851	2.7
109.06548	1.9
109.10185	7.4
111.04479	1.7
116.98608	2.6
119.08592	13.7
121.06515	2.8
121.10133	3.6
123.08114	2.4
123.11760	2.9
131.08548	2.2
133.10144	5.3
134.99649	1.9
135.11673	2.5
137.02333	3.2
137.06001	1.8
143.08559	2.5
145.10141	3.0
147.04428	3.2
147.11656	4.1
157.10100	3.5
159.11748	4.0
161.09601	3.0
171.11705	3.6
177.00595	1.5
183.11772	2.0
195.09930	100.0
196.02449	1.4
196.10286	3.0
197.13416	2.0
199.14908	1.9
208.29160	1.6
239.07132	2.3
256.03296	3.2
270.51294	1.9
281.17419	2.6
291.33411	1.5
299.06073	3.0
299.09222	7.4
299.14795	3.4
299.19989	10.1
300.05936	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0765
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
50.79239	0.2
53.03943	0.8
55.01867	0.4
56.96570	0.3
57.03428	0.7
61.02928	1.2
65.03929	0.3
65.26604	0.2
68.99794	0.2
69.03429	7.2
70.06584	0.2
70.94353	0.4
71.01346	0.5
71.04990	0.5
73.19507	0.2
81.03417	3.2
81.63536	0.2
83.01335	0.2
85.02911	2.8
93.03416	0.3
95.08644	0.2
97.02893	3.8
97.10152	0.2
98.97596	0.4
99.04452	0.6
107.01312	0.4
107.08594	0.2
109.02868	2.1
110.41689	0.2
111.04435	1.8
115.03949	0.2
116.98654	0.2
126.12809	0.3
127.03918	5.2
132.04382	0.2
137.02342	100.0
138.02643	1.8
140.03442	0.2
145.04959	0.8
150.21713	0.2
155.03398	2.1
155.04578	0.3
166.05075	0.3
193.03185	0.6
237.02856	0.2
281.06403	1.2
299.07632	1.8
299.20129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01851	0.4
55.05504	0.5
56.96558	0.4
57.03421	0.5
57.07058	0.2
59.04998	0.3
61.02917	0.7
65.03939	0.4
67.05486	0.4
67.17731	0.2
68.99789	0.2
69.03430	3.2
69.07056	0.7
70.06583	0.5
70.46732	0.4
71.01350	0.4
71.04990	0.3
73.02928	0.3
76.78336	0.2
79.05493	0.2
81.03424	2.8
81.07042	0.7
83.08620	0.3
84.96017	0.2
85.02908	2.0
87.84702	0.2
88.02226	0.2
91.05465	0.3
93.07029	0.3
95.08601	0.7
97.02896	4.0
97.10159	0.2
98.20718	0.3
98.97615	0.3
99.04449	0.8
101.06007	0.6
102.06337	0.3
105.07048	0.4
107.08595	0.5
109.02889	2.1
109.10153	0.3
110.07230	0.3
111.04448	2.3
119.04958	0.2
119.08582	1.4
121.10213	0.2
122.18089	0.2
123.04407	0.3
127.03921	3.9
128.22014	0.2
132.04462	0.4
133.10179	0.3
135.11577	0.2
137.02345	100.0
138.02673	1.7
138.05486	0.5
139.03992	0.2
145.04994	0.4
145.10129	0.3
147.04416	0.5
147.11687	0.2
152.05710	0.3
152.07159	0.2
153.04089	0.3
155.03404	2.5
156.17679	0.2
159.11719	0.2
165.05490	0.2
166.07220	0.3
167.03387	0.2
169.04904	0.3
171.11743	0.2
190.68059	0.2
199.14952	0.2
216.27452	0.2
233.04463	0.7
253.19495	0.2
266.99985	0.4
281.06454	0.7
281.19107	0.4
293.04852	0.2
299.07440	2.1
299.13113	0.2
299.16772	0.3
299.19940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0762
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
53.03741	0.2
53.03948	1.6
55.01868	0.9
55.05508	0.7
56.96571	0.3
57.03441	1.2
57.07072	0.2
58.04204	0.2
59.77380	0.2
61.02925	0.5
65.03936	1.8
67.05493	0.7
68.99772	0.3
69.03073	0.4
69.03432	5.5
69.07072	0.6
69.53323	0.4
69.53728	1.6
70.06605	0.4
71.01353	0.7
71.04990	1.0
73.02912	0.4
79.05501	0.4
81.03421	12.2
81.07061	0.9
83.04978	0.2
83.08610	0.4
85.02421	0.4
85.02907	4.6
91.05466	0.4
93.03407	0.8
93.07042	0.5
95.04945	0.3
95.08620	0.8
97.02908	3.1
97.47251	0.2
99.04456	1.4
105.07050	0.5
107.01352	0.4
107.04963	0.3
107.08593	0.4
109.02889	5.8
109.10164	0.9
111.03695	0.5
111.04445	7.0
117.07030	0.2
119.08612	1.3
119.13332	0.2
123.11777	0.3
127.03935	4.4
129.07004	0.3
131.08498	0.2
133.10141	0.7
137.02348	100.0
138.02657	2.1
145.10164	0.4
147.04395	0.4
147.11740	0.3
155.03403	6.0
157.10165	0.5
159.11646	0.3
169.10135	0.2
175.07620	0.4
193.10027	0.3
197.13188	0.3
202.24547	0.2
239.05379	0.3
253.08559	0.5
253.19617	0.3
281.06610	7.6
282.06818	0.3
299.07300	1.1
299.12842	0.8
299.20105	1.2
300.02570	0.4
313.46222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03741	0.2
53.03948	1.6
55.01868	0.9
55.05508	0.7
56.96571	0.3
57.03441	1.2
57.07072	0.2
58.04204	0.2
59.77380	0.2
61.02925	0.5
65.03936	1.8
67.05493	0.7
68.99772	0.3
69.03073	0.4
69.03432	5.5
69.07072	0.6
69.53323	0.4
69.53728	1.6
70.06605	0.4
71.01353	0.7
71.04990	1.0
73.02912	0.4
79.05501	0.4
81.03421	12.2
81.07061	0.9
83.04978	0.2
83.08610	0.4
85.02421	0.4
85.02907	4.6
91.05466	0.4
93.03407	0.8
93.07042	0.5
95.04945	0.3
95.08620	0.8
97.02908	3.1
97.47251	0.2
99.04456	1.4
105.07050	0.5
107.01352	0.4
107.04963	0.3
107.08593	0.4
109.02889	5.8
109.10164	0.9
111.03695	0.5
111.04445	7.0
117.07030	0.2
119.08612	1.3
119.13332	0.2
123.11777	0.3
127.03935	4.4
129.07004	0.3
131.08498	0.2
133.10141	0.7
137.02348	100.0
138.02657	2.1
145.10164	0.4
147.04395	0.4
147.11740	0.3
155.03403	6.0
157.10165	0.5
159.11646	0.3
169.10135	0.2
175.07620	0.4
193.10027	0.3
197.13188	0.3
202.24547	0.2
239.05379	0.3
253.08559	0.5
253.19617	0.3
281.06610	7.6
282.06818	0.3
299.07300	1.1
299.12842	0.8
299.20105	1.2
300.02570	0.4
313.46222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2064
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
55.01862	9.5
55.05522	19.6
57.07075	5.8
66.36848	3.0
67.05510	27.3
68.86831	3.1
69.07069	37.4
71.04992	7.6
71.08621	3.5
71.60907	4.1
73.65789	3.7
79.05502	21.4
81.03420	8.2
81.07054	27.0
83.04988	18.4
83.08627	9.6
85.02894	9.3
91.05474	15.2
93.07040	33.0
95.04967	72.1
95.08617	19.7
97.06499	6.4
97.10151	8.6
98.19240	3.4
98.97600	8.7
99.04452	12.0
101.16163	3.3
105.07025	12.3
107.04932	5.6
107.08602	16.8
109.06496	8.7
109.10162	11.4
111.04453	29.0
111.08057	9.5
113.34772	3.3
116.98594	8.5
117.07029	11.4
119.08585	13.7
121.06522	5.5
121.09339	3.9
121.10152	14.3
123.08064	5.3
123.11718	5.3
125.05977	4.8
125.09642	11.4
131.08566	11.9
133.10158	10.6
134.99655	10.6
135.08067	32.6
135.11694	8.8
143.08575	5.0
144.99536	3.4
145.10149	18.1
147.08037	6.9
147.11726	6.1
149.09575	8.7
151.07463	3.5
153.12758	6.6
159.11688	7.5
161.25464	3.5
163.11192	34.9
181.12257	12.0
187.11223	4.5
189.11226	4.6
191.10712	4.9
193.05019	5.5
205.12170	7.2
223.13293	100.0
227.12703	6.3
232.96570	4.4
243.17374	4.2
261.18533	50.2
265.08371	3.6
274.97528	9.7
279.16794	5.8
279.19565	79.6
279.22696	4.3
292.98538	8.6
297.11261	9.0
297.17868	4.1
297.20645	25.4
297.25922	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	298.0971
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
50.72310	0.6
56.96563	1.0
57.03434	0.8
60.64082	0.5
61.01152	4.0
61.02910	0.5
69.03424	1.8
70.06580	1.1
71.05019	0.6
71.59789	0.7
72.08135	0.8
75.02700	2.1
76.19435	0.5
79.05518	0.7
81.03412	1.1
81.07061	0.9
85.02898	0.9
86.09718	0.5
87.04465	0.8
88.65461	0.6
91.05453	0.9
93.07052	0.6
95.04964	0.6
95.08620	0.9
97.02880	2.6
98.97609	0.7
103.02142	0.9
105.07011	0.6
109.02879	1.5
111.04464	0.9
119.08591	1.0
120.08089	0.6
121.06505	0.7
124.07579	0.9
127.03882	0.9
131.07332	0.6
132.08110	1.5
133.10110	0.6
134.99663	0.7
136.06194	100.0
137.02359	13.5
137.03407	1.3
137.06613	0.8
138.09119	1.0
144.08047	1.1
145.03203	1.2
146.09656	0.6
149.05919	0.5
154.05003	0.8
156.07692	0.6
161.01317	0.6
162.09097	0.6
163.04237	1.6
166.08594	0.6
177.58156	0.7
190.08556	0.6
192.10323	0.8
208.09773	0.8
237.02808	0.5
255.02919	3.1
270.04010	1.4
274.97452	0.9
275.98306	0.5
292.98572	0.7
298.03531	5.4
298.09686	5.4
299.02094	0.9
299.06125	0.7
299.20001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.8
55.05512	15.3
57.03435	4.0
57.07063	2.3
61.02924	6.1
65.03909	2.7
67.05521	2.1
69.03441	21.7
69.07031	1.9
69.70357	8.2
69.70774	5.3
70.06590	9.5
71.04991	3.4
72.08153	3.8
73.02904	2.9
76.78496	2.3
79.05515	2.1
81.03423	9.8
81.07071	2.9
82.65275	1.9
83.04980	2.7
83.08625	38.9
84.08167	2.7
85.02911	100.0
86.09735	12.5
87.04467	3.3
89.06045	3.3
91.03938	5.7
91.05483	46.7
92.05833	2.6
96.08129	5.8
97.02892	25.6
98.97575	3.8
99.04453	5.0
101.06033	2.1
101.09663	15.3
105.07020	2.9
107.08656	2.4
109.02898	12.4
111.04471	2.4
114.09148	4.9
115.03898	2.9
116.98654	3.7
119.01950	2.0
119.08584	2.5
121.10196	2.6
126.09130	2.5
127.03928	30.0
127.04802	2.9
134.99663	2.5
136.06175	13.0
137.02373	19.3
145.04974	50.6
147.04404	2.7
154.04996	5.6
163.06047	12.3
195.12320	3.6
211.07387	2.7
215.00795	2.6
227.13902	3.8
237.02866	3.1
258.08365	3.0
274.97791	2.3
280.19241	2.6
281.15860	4.0
297.62997	3.4
298.03839	4.4
298.11346	4.3
298.21161	2.4
299.05975	4.2
300.06223	2.8
303.76096	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.41018	0.4
59.05021	0.7
69.67600	3.1
75.04477	5.1
76.01888	0.4
79.05502	2.2
81.07057	0.6
87.04464	0.5
91.50334	0.4
95.08591	0.5
98.06058	2.0
98.97563	1.2
103.05476	1.2
105.07036	21.1
106.07320	0.5
117.05735	1.2
119.08593	1.4
119.24771	0.4
120.05679	0.5
120.08115	0.6
121.02799	0.5
123.08084	3.8
123.11678	0.4
129.06976	0.5
130.06522	1.0
130.08662	4.2
131.07314	16.8
132.08099	8.9
133.07625	1.4
134.09639	0.7
143.07262	0.8
144.08102	2.1
145.08862	6.6
146.09654	100.0
147.09969	1.3
148.11221	0.7
158.09668	11.0
159.10428	1.4
160.07597	2.4
160.11224	35.1
161.08376	1.0
161.11568	0.4
162.09206	0.8
162.12761	0.5
172.07584	2.5
175.09885	0.8
176.07069	1.3
176.10698	0.6
186.09106	0.8
187.09966	0.4
188.10707	6.7
190.08667	0.6
190.12286	3.7
192.10202	8.6
192.13811	2.4
218.11734	5.6
220.13391	2.3
236.12828	0.6
238.69386	0.4
246.11240	2.3
248.12840	2.2
250.10075	0.6
250.14383	12.3
264.02914	3.8
264.12415	1.1
265.12292	1.8
278.13876	37.2
279.14114	0.7
281.58563	0.5
296.05569	1.6
296.12271	0.7
296.16205	0.6
297.03906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19827	0.6
53.03934	1.5
55.01869	1.4
55.05506	1.5
56.96576	1.0
57.03435	3.5
57.07079	13.5
61.02689	0.6
61.02937	7.2
67.05493	1.5
69.03439	5.6
69.07053	1.8
70.04095	0.9
70.06595	3.5
70.92133	0.9
70.92467	1.2
71.04994	1.2
71.08614	1.8
71.72024	0.6
72.08159	1.1
73.02904	1.9
74.27929	0.5
75.04483	1.4
76.02246	0.8
76.82384	0.5
79.05488	2.6
81.03416	3.2
81.07063	31.3
83.08633	0.7
84.04511	3.1
84.08187	0.6
85.02908	19.3
91.03957	1.7
91.05477	1.6
93.07050	1.1
95.08590	1.3
97.02876	5.7
97.06545	1.0
98.09715	0.9
98.97553	1.5
99.04451	1.9
99.08108	2.3
107.08590	1.0
109.02898	2.9
109.10193	2.0
112.09962	0.5
114.10293	1.3
116.01718	1.1
116.98636	2.2
117.09139	100.0
118.09457	1.4
119.08583	1.1
120.08094	0.6
121.02943	0.7
124.07555	1.6
127.03960	4.4
130.04977	1.0
131.04857	0.7
133.02844	0.8
133.06575	0.7
139.03809	0.7
140.06992	0.8
145.04988	5.6
150.07768	10.0
151.08241	7.1
152.14346	1.8
153.14735	1.0
161.05954	0.7
163.06096	0.8
178.08705	0.7
179.04929	0.6
189.00768	0.6
200.04437	1.0
209.02774	0.6
211.19203	1.0
212.19530	0.8
219.01797	1.2
219.07925	0.8
234.10506	0.9
235.07565	1.3
237.02884	3.8
248.45348	0.7
250.09904	1.9
265.12222	3.7
266.61142	0.7
278.14035	0.7
279.04086	3.1
289.28543	0.7
296.11670	1.5
296.16376	1.0
297.04083	1.5
299.06381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72002	0.2
54.93837	6.6
55.89048	0.2
56.96563	0.7
63.84279	0.2
67.05508	0.2
69.07041	0.2
69.96176	39.3
70.95876	0.2
71.40227	0.4
71.94102	1.5
81.07043	0.2
87.97211	3.1
89.95176	0.3
91.05844	0.2
98.97590	2.8
101.00887	0.3
110.98777	0.5
113.95193	0.6
116.98619	2.5
119.01917	1.4
131.96149	11.7
134.99667	2.8
137.02968	1.1
149.97200	28.5
153.00758	0.5
154.97711	0.5
164.07413	0.2
167.98251	3.5
172.98792	1.1
174.97568	0.2
177.00970	3.1
178.01024	0.6
189.95224	1.2
190.95193	0.3
192.98776	0.3
196.95071	0.5
203.02513	0.2
205.94716	0.5
207.96252	12.9
208.96332	0.8
213.95213	0.5
216.98724	0.5
218.03522	0.3
219.02000	5.1
220.02090	1.5
221.01886	0.6
223.95798	0.5
230.97868	0.4
231.96225	4.7
231.98358	0.3
232.96230	0.5
234.99728	1.2
242.03592	0.4
246.95068	0.6
248.98872	0.3
249.97316	34.6
250.97385	1.9
251.97650	0.3
255.96146	3.5
256.96490	0.4
258.03384	0.3
261.02963	0.4
264.96045	0.7
267.00082	0.3
272.98920	1.9
273.97293	33.1
274.97433	3.4
283.03036	0.3
291.00085	0.5
291.98349	100.0
292.98511	4.7
293.98914	0.4
296.98880	1.8
297.04321	0.4
299.06171	0.6
314.99930	7.8
315.05389	0.4
315.99976	0.5
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
55.01872	15.1
55.05265	2.2
55.05512	36.7
56.96571	12.1
56.96801	2.0
57.03427	2.9
57.07078	9.1
61.34402	1.7
67.05505	58.8
68.52076	1.9
69.03419	5.3
69.07069	29.8
70.56290	6.0
71.04994	6.8
71.08629	36.9
79.05486	35.0
81.03407	17.2
81.07056	60.6
83.04991	12.7
83.08620	24.9
85.06532	4.0
85.10175	8.4
89.25075	1.9
91.05479	25.3
93.07044	38.1
95.04979	15.2
95.08053	3.4
95.08611	33.3
97.06529	7.7
97.10168	22.9
98.97607	3.7
99.08092	34.9
105.07033	23.5
107.04952	4.0
107.08607	25.3
109.06528	9.8
109.10152	21.6
111.08083	20.8
113.09642	8.8
116.98657	3.9
117.07001	5.7
119.08566	16.4
121.06522	3.9
121.10151	14.2
123.08054	3.7
123.11732	5.7
125.09620	13.2
129.07021	4.4
131.08597	6.7
133.10126	14.9
134.99734	3.2
135.08005	3.3
135.11681	14.1
137.09604	3.6
143.08554	5.0
145.10112	7.7
147.08025	2.5
147.11693	14.5
149.09607	4.1
149.13278	9.7
151.11185	35.8
153.12772	2.5
157.10132	4.1
159.11708	6.5
161.13251	17.7
163.11208	12.0
163.50598	1.8
165.12746	12.4
165.43559	1.8
167.14395	2.0
171.11664	3.2
173.13214	2.5
175.14818	6.1
177.12740	2.1
179.14293	12.3
184.07423	2.3
185.13232	4.5
189.11197	10.4
189.12701	4.6
190.98674	3.9
193.12193	4.4
193.15843	3.2
207.13762	3.2
208.99661	2.3
221.15337	3.8
231.21092	3.9
235.16930	3.3
241.19464	6.6
249.22200	2.8
250.10033	2.1
254.09982	3.9
259.20575	14.1
263.10461	6.0
263.60730	2.3
265.12225	6.7
272.10965	2.5
274.61554	2.3
277.21619	100.0
278.21857	2.9
295.22720	59.4
296.16324	2.6
296.25909	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	295.2633
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
53.03943	1.8
55.01867	1.7
55.05259	1.7
55.05511	19.5
56.96555	3.5
57.03436	2.3
57.07076	7.4
65.03939	2.1
67.05507	34.2
69.03426	4.6
69.07068	52.3
71.05001	6.9
71.08637	2.5
71.22801	2.3
73.02888	1.2
75.21449	1.0
79.05488	14.1
81.03413	2.2
81.07057	100.0
82.07383	2.0
83.04980	2.2
83.08624	15.4
85.02902	2.6
85.06537	5.6
91.05489	6.8
93.07048	26.5
94.07410	1.4
95.04965	2.3
95.08607	61.5
96.08968	1.9
97.02853	1.4
97.06535	4.1
97.10175	8.7
98.97591	1.6
99.08105	5.9
105.07022	9.1
107.04993	1.2
107.08602	21.2
109.02858	1.6
109.06520	2.7
109.10159	65.1
110.10471	1.3
111.04437	1.4
111.08095	3.6
111.11729	10.2
113.09663	2.3
115.05487	1.2
116.98659	1.6
119.08597	6.3
121.10142	20.6
123.08073	4.0
123.11713	34.4
125.09626	7.9
127.03938	1.3
127.11173	3.2
129.12782	1.3
130.94614	1.2
133.10133	6.0
135.11693	12.8
137.09688	1.0
137.13251	10.9
139.11163	7.8
145.02930	1.7
145.10152	2.5
147.11667	5.0
149.13263	16.3
151.03899	1.3
151.11247	1.7
151.14828	1.9
153.12747	2.6
157.12225	2.0
159.11549	1.5
161.13280	2.6
163.14803	7.9
165.16365	1.1
166.12288	2.4
167.10674	1.3
167.14426	1.1
175.14874	2.5
177.00748	1.3
177.05539	2.5
177.16440	5.5
179.17949	4.7
189.16409	2.5
191.14453	1.3
201.16415	1.3
203.17931	5.1
217.19551	1.2
225.12392	1.2
226.35985	1.1
231.40582	1.1
234.10439	1.6
235.07524	1.3
237.02837	1.2
250.09932	1.9
259.24176	6.5
265.12253	4.3
277.21857	3.0
277.25262	16.4
278.25684	1.7
294.64243	1.8
295.09671	3.5
295.15051	3.4
295.19894	5.8
295.22861	2.9
295.26266	21.9
296.16388	2.2
296.26538	1.3
302.85901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03934	5.1
55.01852	8.5
55.05513	19.2
57.07056	8.4
60.28984	2.2
67.05176	3.2
67.05503	46.0
69.03431	2.8
69.07066	19.7
70.85171	6.8
71.04987	4.8
71.08630	53.5
73.47604	2.3
77.37796	2.2
79.05489	38.2
81.03405	10.9
81.07057	46.7
81.08060	2.9
83.04982	13.2
83.08620	13.6
85.06529	2.9
91.05481	27.8
93.07043	51.5
95.04419	2.4
95.04929	11.6
95.08605	44.8
97.06517	9.8
97.10150	8.0
99.07475	4.3
99.08087	56.1
101.02291	2.9
105.07036	21.5
107.04951	7.3
107.08611	27.0
109.10175	15.9
111.08067	6.8
113.09624	5.8
117.07028	7.1
119.08597	14.7
121.06425	2.7
121.10152	25.8
129.07008	4.0
131.08559	4.8
133.10121	9.2
135.11682	36.7
137.09627	8.4
137.13167	2.4
141.09052	3.4
145.10121	4.8
147.11678	12.1
149.13264	13.8
151.11160	21.1
153.12703	3.7
161.13220	18.5
163.11180	13.4
163.14868	5.3
165.12738	4.3
167.10695	7.1
173.13242	5.1
177.12752	5.5
179.14305	96.7
185.13271	7.0
189.12784	6.2
193.12260	2.9
195.13680	3.2
199.14832	4.2
213.16339	2.6
213.45303	2.4
221.15393	7.5
224.93495	2.5
235.16878	3.9
241.19585	6.7
249.22031	3.9
259.20615	7.5
259.23752	2.6
265.12115	3.5
277.21637	100.0
295.22766	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.15728	3.3
53.83963	3.3
54.62282	3.1
55.01880	7.1
55.05511	24.2
57.03421	3.4
57.07078	40.3
65.75308	3.2
67.05508	41.6
68.92789	2.9
69.07071	25.8
70.84206	9.2
71.04961	3.3
71.08636	9.1
79.05490	29.5
81.03413	20.1
81.07064	43.4
83.04980	14.1
83.08623	15.3
85.10186	71.8
91.05492	33.6
93.07059	28.7
95.04965	18.9
95.08605	33.0
97.06530	7.9
97.10158	6.3
99.08095	6.1
105.07021	22.0
107.04971	13.6
107.08576	17.4
109.06530	4.4
109.10175	11.9
111.08089	5.0
112.27557	3.7
113.09649	100.0
117.07005	5.9
119.08600	15.3
121.06433	4.7
121.10135	11.4
123.08043	6.7
125.09622	4.5
131.08580	4.8
133.10138	6.4
135.00203	3.5
135.11731	9.4
137.09550	4.5
145.10149	4.1
147.11685	13.9
149.09645	13.8
149.13252	5.7
151.11198	5.9
153.12827	3.9
156.97504	3.6
159.11707	4.5
161.13292	14.0
163.11197	16.4
165.12750	56.3
171.11662	6.2
174.98553	9.5
175.11230	10.0
175.14926	4.5
179.14285	8.4
207.14005	4.0
213.00156	10.3
235.07637	4.6
241.19489	6.2
250.09933	4.4
259.20551	12.6
263.13947	4.8
265.12299	6.0
269.02728	4.9
271.74329	4.3
277.21628	82.5
295.22693	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	295.227
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.23009	4.0
53.03925	3.5
55.01878	5.6
55.05516	27.0
57.03433	5.7
57.07076	24.7
67.05507	28.3
69.07076	18.8
69.30896	28.2
69.31313	12.1
71.08640	5.3
79.05494	27.0
81.03421	20.6
81.07067	44.0
83.04974	14.1
83.08616	12.0
83.47184	4.0
85.06437	3.3
85.10184	61.6
91.05482	22.5
93.07064	26.9
95.04976	20.0
95.08616	28.0
97.06541	8.5
97.10143	9.1
101.25218	3.9
104.83005	3.9
105.07012	11.5
107.04939	13.7
107.08602	14.1
109.06488	6.6
109.10162	7.2
113.09653	78.1
115.80173	3.9
119.08604	10.4
121.10162	5.7
123.08054	6.2
125.09681	4.5
131.08601	3.7
133.10150	5.8
145.10141	4.4
147.11646	9.1
148.39604	4.1
149.09618	11.5
149.13286	5.3
151.11221	6.2
157.10162	3.8
161.13258	6.4
163.11154	9.8
165.12775	53.4
167.14410	4.7
175.11145	7.5
179.14360	8.0
204.12321	4.0
241.19524	4.5
249.21982	4.6
259.20490	6.1
265.12323	5.8
277.21637	62.1
295.22729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	6.0
55.01880	8.9
55.05512	36.9
57.03424	4.5
57.07062	8.0
65.03928	2.5
67.05505	66.6
69.03432	4.4
69.07071	28.0
70.71465	5.2
71.04971	2.3
71.08231	2.1
71.08629	37.9
79.05063	2.4
79.05489	33.5
81.03415	18.4
81.07060	54.4
83.04992	12.9
83.08613	22.7
85.06526	5.5
85.10188	6.6
86.35779	1.9
91.05476	20.6
93.07049	41.0
95.04981	17.3
95.08610	26.8
97.06524	5.5
97.10167	24.9
99.08096	35.8
105.07020	20.0
107.04967	4.6
107.08597	28.0
108.06451	1.9
109.06519	6.4
109.10155	24.0
111.08086	11.6
113.09628	8.5
117.07009	5.5
119.08581	14.6
121.06509	3.5
121.10150	17.5
123.08050	4.1
123.11685	6.3
125.09634	20.5
127.33371	1.8
129.06985	4.2
131.08568	5.1
133.10153	13.4
135.08064	3.3
135.11671	16.4
135.98051	1.9
137.09602	3.5
143.08511	3.4
145.10121	4.6
147.11728	11.4
149.09628	3.4
149.13292	9.0
151.11185	34.2
153.09064	2.2
153.12701	3.1
157.10132	2.2
159.11700	4.2
161.13243	15.1
163.11189	12.8
163.14824	4.1
165.12793	9.4
171.10181	2.9
171.11655	4.7
173.13283	4.0
175.14803	5.7
177.12698	2.9
179.14297	11.0
185.13251	4.3
189.11209	20.8
189.12755	3.0
193.15887	1.9
195.13745	2.0
199.14853	3.0
207.13733	2.2
217.19470	2.4
231.21078	6.1
241.19518	8.2
259.20636	12.5
277.21646	100.0
278.21930	2.3
294.03998	2.0
295.22693	46.0
318.75226	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03935	8.4
55.01876	28.9
55.05514	45.1
57.03431	5.0
57.07081	8.1
67.05506	61.3
69.07067	33.9
70.21844	8.4
70.22237	7.3
70.46620	3.4
71.04993	5.1
71.08628	27.2
79.05499	41.3
81.03418	12.3
81.07058	66.1
83.04971	10.9
83.08622	37.6
83.56947	3.8
85.06530	6.0
85.10197	4.8
91.05470	35.1
93.07052	50.9
95.04964	20.3
95.08609	40.1
97.06510	14.9
97.10178	21.3
98.21564	4.6
99.08116	21.4
104.80777	3.5
105.07033	19.3
105.67068	3.7
107.04979	4.6
107.08598	33.7
109.06506	9.1
109.10160	16.1
111.08091	34.5
113.09621	8.2
117.07025	5.3
119.08599	17.6
121.10164	22.5
123.08051	4.9
123.11687	7.0
125.09631	14.9
129.06941	5.5
133.10144	28.2
135.11726	20.5
139.11168	9.9
141.12755	3.8
143.08571	4.8
145.10117	4.2
147.11674	17.0
149.13257	16.4
151.11195	19.1
153.39014	3.9
159.11711	6.9
161.13266	13.8
163.11177	5.7
165.12709	13.8
175.11241	7.0
177.12802	5.5
179.14322	10.8
189.11211	14.7
193.12204	6.1
195.13783	8.8
241.19443	5.9
249.22089	5.9
259.20538	11.5
277.21625	100.0
295.22690	62.5
316.47495	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	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
55.01872	15.1
55.05265	2.2
55.05512	36.7
56.96571	12.1
56.96801	2.0
57.03427	2.9
57.07078	9.1
61.34402	1.7
67.05505	58.8
68.52076	1.9
69.03419	5.3
69.07069	29.8
70.56290	6.0
71.04994	6.8
71.08629	36.9
79.05486	35.0
81.03407	17.2
81.07056	60.6
83.04991	12.7
83.08620	24.9
85.06532	4.0
85.10175	8.4
89.25075	1.9
91.05479	25.3
93.07044	38.1
95.04979	15.2
95.08053	3.4
95.08611	33.3
97.06529	7.7
97.10168	22.9
98.97607	3.7
99.08092	34.9
105.07033	23.5
107.04952	4.0
107.08607	25.3
109.06528	9.8
109.10152	21.6
111.08083	20.8
113.09642	8.8
116.98657	3.9
117.07001	5.7
119.08566	16.4
121.06522	3.9
121.10151	14.2
123.08054	3.7
123.11732	5.7
125.09620	13.2
129.07021	4.4
131.08597	6.7
133.10126	14.9
134.99734	3.2
135.08005	3.3
135.11681	14.1
137.09604	3.6
143.08554	5.0
145.10112	7.7
147.08025	2.5
147.11693	14.5
149.09607	4.1
149.13278	9.7
151.11185	35.8
153.12772	2.5
157.10132	4.1
159.11708	6.5
161.13251	17.7
163.11208	12.0
163.50598	1.8
165.12746	12.4
165.43559	1.8
167.14395	2.0
171.11664	3.2
173.13214	2.5
175.14818	6.1
177.12740	2.1
179.14293	12.3
184.07423	2.3
185.13232	4.5
189.11197	10.4
189.12701	4.6
190.98674	3.9
193.12193	4.4
193.15843	3.2
207.13762	3.2
208.99661	2.3
221.15337	3.8
231.21092	3.9
235.16930	3.3
241.19464	6.6
249.22200	2.8
250.10033	2.1
254.09982	3.9
259.20575	14.1
263.10461	6.0
263.60730	2.3
265.12225	6.7
272.10965	2.5
274.61554	2.3
277.21619	100.0
278.21857	2.9
295.22720	59.4
296.16324	2.6
296.25909	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	295.2269
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03939	4.8
55.01872	23.0
55.05511	37.8
57.03429	4.0
57.07079	10.2
58.62972	2.0
59.17694	1.8
67.05508	65.8
69.03422	3.5
69.07070	28.8
70.05416	11.1
71.04986	6.0
71.05369	1.6
71.08630	37.3
79.05496	37.5
81.03423	15.4
81.07062	66.1
83.04977	20.1
83.08623	28.3
85.02908	2.1
85.06537	4.7
85.10198	6.0
86.09746	2.9
91.05482	26.0
93.07046	45.5
95.04954	15.4
95.08616	41.2
97.06545	14.2
97.10175	22.3
99.08095	27.6
102.59997	1.8
105.07043	22.9
107.04937	3.4
107.08604	30.9
109.06532	7.7
109.10152	22.1
111.08080	23.0
113.09643	8.8
117.07040	7.8
119.08595	17.7
121.06524	2.0
121.10178	15.4
123.08076	9.1
123.11706	7.8
124.97042	1.8
125.09624	13.3
129.07011	6.0
131.08569	5.9
133.10162	14.5
135.08034	3.1
135.11679	14.5
137.09633	7.4
139.11197	7.3
139.71228	1.9
141.12770	1.8
143.08517	2.3
143.63414	2.1
145.10170	5.7
147.11707	16.5
149.02368	17.6
149.09628	5.2
149.13274	15.0
151.11197	31.0
153.12723	4.5
157.10115	2.6
159.11705	5.5
161.13295	14.2
163.11151	13.6
163.14821	4.1
165.12770	18.2
168.23952	1.9
171.11690	4.7
173.13287	3.5
175.11150	3.7
175.14867	7.6
177.12755	2.6
179.14270	11.7
181.12241	2.3
184.07387	2.2
185.13344	3.8
189.11221	11.8
191.28162	1.9
207.13782	2.6
221.15431	3.2
231.20995	3.2
240.10091	2.6
241.19536	8.7
249.22110	9.4
259.20660	14.6
277.21646	100.0
295.10092	2.2
295.22696	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.36071	2.6
52.45905	3.0
53.03930	10.1
54.89766	3.2
55.01863	10.4
55.05514	29.6
57.03433	4.9
57.07075	13.4
67.05170	4.1
67.05505	48.2
69.03414	4.1
69.06718	3.4
69.07074	34.2
70.13997	15.1
71.08645	13.9
73.11298	2.9
79.05492	28.9
81.03423	41.9
81.07060	49.5
83.04988	15.2
83.08613	12.4
83.94854	2.9
85.10168	14.9
91.05490	20.3
93.07045	34.4
95.04966	26.4
95.08604	31.3
97.06528	7.1
97.10162	13.0
98.20812	3.9
99.08070	7.4
105.07039	22.0
107.04953	4.6
107.08593	24.7
107.88984	2.6
109.06503	10.4
109.10165	18.2
111.08069	5.2
111.11681	3.1
113.09664	19.1
119.08585	12.0
121.10146	17.4
123.11690	6.7
125.09610	5.7
131.08603	4.5
133.10144	14.7
135.11682	11.3
137.09604	3.2
137.13312	3.3
147.11684	11.2
149.09578	3.1
149.13248	9.4
151.11171	27.5
153.09077	3.6
161.13272	8.8
163.11160	4.3
165.12770	24.4
171.11734	5.0
173.13214	3.4
175.14804	3.4
179.14265	20.1
187.73685	2.9
189.11252	3.7
213.00107	4.7
231.21057	8.9
241.19556	7.6
249.22040	3.9
252.45494	3.0
259.20596	7.0
265.12204	5.8
277.21643	100.0
282.01981	2.8
295.22751	57.5
296.16418	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	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03945	2.9
55.01876	37.5
55.05515	28.3
57.07068	9.6
60.91524	2.2
67.05506	31.3
69.07071	15.1
71.08630	17.1
71.31620	2.5
71.31976	4.2
74.79686	2.3
79.05507	21.1
81.03421	7.0
81.07062	39.4
83.04971	9.8
83.08630	19.5
84.45518	2.4
85.10178	9.7
91.05482	19.9
93.07042	22.7
95.04970	10.1
95.08603	22.9
97.06542	15.5
97.10169	3.6
99.08116	12.0
105.07046	18.7
106.33714	2.6
107.04937	3.2
107.08611	13.0
109.06537	4.7
109.10136	12.4
111.08087	42.1
113.09637	15.2
117.07007	3.9
117.25445	2.4
119.08584	9.5
121.10146	10.8
123.08041	2.6
123.11713	5.4
125.09608	6.1
130.99326	2.4
131.08588	5.1
133.10165	18.4
135.11690	7.0
139.11253	5.0
143.08549	4.0
145.10159	5.0
147.11723	12.0
149.09615	7.5
149.13237	5.3
151.11211	14.5
153.12773	4.6
161.13287	7.9
163.11200	5.9
165.12790	17.9
175.11227	2.6
175.14836	2.8
179.14250	11.8
207.14055	2.7
231.21179	4.9
241.19496	6.5
249.22247	9.2
259.20667	9.6
265.11948	3.2
266.68488	2.6
277.21637	100.0
295.22705	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1541
Annotation	40321-99-1
Peak:m/z	Relative Intensity
55.05514	6.1
56.96568	0.5
56.96942	0.6
57.07079	17.0
59.05006	0.8
67.05505	4.2
69.03407	0.7
69.07066	4.4
70.79223	1.9
71.05029	0.9
71.08649	0.8
73.06540	1.9
79.05486	2.0
81.03390	1.0
81.07053	5.7
83.08614	1.7
91.05489	2.3
93.07039	2.9
94.51051	0.6
95.04977	1.6
95.08613	4.9
96.08941	0.8
97.02911	0.9
97.06495	1.2
97.10171	1.1
98.97609	0.9
104.03429	0.7
105.07014	2.0
107.04964	0.9
107.08601	1.9
109.06512	0.7
109.10175	4.2
113.09580	0.7
117.07027	1.1
119.08603	1.2
121.02870	4.1
121.06491	0.6
121.10101	1.3
123.08088	0.9
123.11716	1.6
124.99992	0.6
129.06976	1.0
131.08586	0.9
133.10115	0.8
134.99646	0.7
135.11691	1.4
136.70972	0.6
137.05986	0.7
139.07559	0.8
139.11224	0.7
147.11713	0.7
149.02348	100.0
149.13214	0.6
150.02701	0.6
151.11261	0.8
155.07024	0.7
161.05934	1.2
161.13222	1.2
167.03441	2.2
167.07072	1.6
169.10368	0.6
171.48288	0.6
175.07532	3.8
177.00688	1.0
190.05066	0.7
203.07066	6.1
205.08594	0.9
221.08063	1.2
221.15410	1.5
230.23763	0.7
259.20575	0.9
265.12296	0.6
274.16043	1.0
277.14441	3.9
277.21594	1.7
295.06073	0.7
295.09753	1.3
295.15350	6.4
295.18866	1.3
295.22763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03931	3.3
53.16069	2.0
55.01876	36.3
55.05267	3.3
55.05514	50.2
57.03426	4.0
57.07062	9.6
65.03922	3.1
67.05508	66.7
69.03432	4.0
69.07069	27.4
71.04983	5.7
71.08632	23.5
79.05499	39.5
81.03407	8.3
81.07057	76.8
83.04994	13.9
83.08620	39.2
85.06533	4.5
85.10173	9.2
87.11674	1.9
91.04971	2.7
91.05484	33.6
93.07047	52.4
95.04965	15.7
95.08060	3.0
95.08619	40.9
97.06516	13.2
97.10165	15.5
99.08105	21.9
105.07028	31.2
107.08596	31.0
109.06505	6.4
109.10167	16.5
111.08089	34.7
113.09636	8.0
116.96358	2.1
117.07069	5.2
119.08583	18.0
121.06531	3.6
121.10138	17.9
123.08069	4.1
123.11726	5.9
125.09666	15.9
129.06998	4.1
131.08582	8.6
133.10124	25.1
135.08060	4.2
135.11668	17.8
137.09613	3.2
139.11186	8.4
142.08667	3.4
143.08540	2.7
145.10141	5.8
147.11681	13.5
149.09572	5.3
149.13293	17.0
151.11177	23.0
153.12784	3.6
157.10155	5.1
159.11681	7.8
161.09598	3.5
161.13293	14.6
163.11150	6.7
163.14832	2.8
165.12785	16.8
167.14310	3.8
171.11696	5.1
175.11169	5.6
175.14792	3.4
177.12712	6.5
179.14299	6.3
185.13225	4.0
189.11235	10.4
189.12746	2.8
195.13773	10.6
199.14780	2.8
221.15335	4.7
231.21144	4.0
235.16971	2.3
241.19444	5.0
249.22150	4.7
259.20612	13.9
277.21634	100.0
295.22693	71.1
296.22305	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	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01868	2.7
55.05511	31.5
56.96561	4.0
57.03434	4.9
57.07077	6.7
59.05004	100.0
60.58117	1.7
61.02915	2.0
65.34428	1.8
67.05495	15.3
69.03424	5.3
69.07072	17.3
70.86457	5.4
71.04984	9.8
73.02927	2.2
75.97659	1.5
76.39482	2.2
79.05488	9.5
81.03416	3.2
81.07056	25.9
82.07385	6.1
83.04987	2.8
83.08615	17.1
84.08952	2.0
85.02904	7.1
87.04466	37.0
89.06036	4.5
91.05474	4.6
93.07052	10.3
94.07409	2.3
95.04981	5.8
95.08607	14.3
96.08935	7.0
97.02893	4.2
97.06536	4.1
97.10176	18.0
98.97585	7.0
99.04460	5.3
105.07053	4.1
107.08606	12.3
108.08907	1.9
109.02877	2.4
109.06516	2.4
109.10159	11.5
110.10493	3.0
116.98623	7.2
117.05491	1.8
117.06977	2.2
118.55324	1.8
119.08582	4.8
121.06479	1.9
121.10191	7.0
122.29698	1.9
123.11722	4.7
124.05805	1.9
125.09634	14.9
134.99706	3.7
135.11725	2.7
138.13661	2.3
140.71260	1.9
145.10130	2.5
147.47209	1.9
149.02371	8.6
149.13289	8.1
150.13611	3.2
153.12730	2.7
153.43484	1.6
158.99625	3.3
163.11259	5.6
167.14394	2.5
173.11751	6.2
177.00714	4.2
184.16943	2.7
189.11336	2.6
190.14398	2.2
191.53149	2.3
204.11874	2.6
213.12332	5.1
215.44324	2.0
218.38269	2.1
237.02896	2.2
257.12665	2.0
266.21179	4.4
273.15387	5.7
276.17764	2.5
276.20535	4.3
294.21106	7.8
294.28818	6.5
295.15128	4.9
309.94901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36313	1.2
55.01859	1.5
55.05513	13.6
56.96568	2.7
57.03432	2.1
57.07079	18.3
65.03934	1.3
66.97626	1.3
67.05512	8.5
69.03425	1.9
69.07074	9.5
71.05009	1.8
71.08610	1.3
71.60603	1.6
73.02914	1.9
73.06578	1.4
78.26012	1.2
79.05496	5.5
81.07061	16.0
82.25237	1.2
83.04937	1.6
83.08616	6.7
85.02893	3.4
85.06538	2.2
86.09706	3.8
88.03984	2.3
91.05476	4.1
93.07060	7.3
95.04946	3.0
95.08599	10.9
97.02906	3.2
97.06540	1.7
97.10171	2.4
98.98489	1.2
99.08078	1.4
104.10744	2.4
105.07055	6.6
107.08588	3.5
109.02832	1.4
109.10143	7.1
111.08082	3.1
116.98616	1.4
119.08564	3.2
121.02871	3.7
121.10135	4.1
123.08040	1.4
123.11740	3.3
125.00011	3.4
129.07002	1.9
131.08577	2.3
133.10120	3.2
135.11671	1.9
137.05940	1.8
137.09639	1.4
137.13266	2.0
138.53026	1.8
145.10152	1.2
146.05873	1.6
147.11671	4.5
149.02354	100.0
151.11214	1.5
157.10091	1.9
160.23488	1.1
165.12862	2.5
167.03432	2.4
175.07556	3.0
177.00833	1.2
184.07401	2.6
190.04985	1.9
203.06985	5.4
205.08597	2.0
235.07584	1.8
240.09973	1.9
274.10706	1.5
277.14426	3.5
277.21606	9.3
295.09399	2.2
295.22580	5.6
295.25998	2.3
316.50256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01868	2.7
55.05511	31.5
56.96561	4.0
57.03434	4.9
57.07077	6.7
59.05004	100.0
60.58117	1.7
61.02915	2.0
65.34428	1.8
67.05495	15.3
69.03424	5.3
69.07072	17.3
70.86457	5.4
71.04984	9.8
73.02927	2.2
75.97659	1.5
76.39482	2.2
79.05488	9.5
81.03416	3.2
81.07056	25.9
82.07385	6.1
83.04987	2.8
83.08615	17.1
84.08952	2.0
85.02904	7.1
87.04466	37.0
89.06036	4.5
91.05474	4.6
93.07052	10.3
94.07409	2.3
95.04981	5.8
95.08607	14.3
96.08935	7.0
97.02893	4.2
97.06536	4.1
97.10176	18.0
98.97585	7.0
99.04460	5.3
105.07053	4.1
107.08606	12.3
108.08907	1.9
109.02877	2.4
109.06516	2.4
109.10159	11.5
110.10493	3.0
116.98623	7.2
117.05491	1.8
117.06977	2.2
118.55324	1.8
119.08582	4.8
121.06479	1.9
121.10191	7.0
122.29698	1.9
123.11722	4.7
124.05805	1.9
125.09634	14.9
134.99706	3.7
135.11725	2.7
138.13661	2.3
140.71260	1.9
145.10130	2.5
147.47209	1.9
149.02371	8.6
149.13289	8.1
150.13611	3.2
153.12730	2.7
153.43484	1.6
158.99625	3.3
163.11259	5.6
167.14394	2.5
173.11751	6.2
177.00714	4.2
184.16943	2.7
189.11336	2.6
190.14398	2.2
191.53149	2.3
204.11874	2.6
213.12332	5.1
215.44324	2.0
218.38269	2.1
237.02896	2.2
257.12665	2.0
266.21179	4.4
273.15387	5.7
276.17764	2.5
276.20535	4.3
294.21106	7.8
294.28818	6.5
295.15128	4.9
309.94901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.2
56.05040	8.0
56.96572	32.7
57.03433	12.5
57.07070	5.5
58.06598	13.4
60.04527	7.0
61.02913	8.6
65.25390	4.6
67.05495	7.8
69.03432	35.0
69.07069	12.1
69.82448	31.5
70.03740	5.4
70.06589	20.4
71.01335	6.4
71.05000	6.9
72.04518	5.3
72.08151	11.5
73.02917	13.6
73.06554	25.4
74.06072	10.4
81.03426	20.1
81.07052	9.4
82.72360	5.0
84.04505	16.3
84.08134	29.1
84.96035	7.3
85.02911	62.3
86.06080	5.1
86.09706	19.9
87.04466	5.6
88.03991	8.4
88.07626	16.5
91.05494	5.7
95.04970	11.5
97.02907	38.3
97.06531	10.1
98.06055	7.6
98.97579	43.8
99.04456	10.3
101.06023	14.1
109.02885	14.2
110.06052	6.2
111.04446	5.4
112.03966	5.2
114.05506	5.2
114.09174	23.0
115.03942	6.6
115.07596	9.1
116.98605	30.6
120.08103	15.5
120.97871	5.7
123.04384	10.0
123.08066	4.5
126.05522	11.6
127.03924	20.1
130.04993	7.0
131.96155	38.2
132.04457	100.0
132.05402	7.4
132.10210	85.6
132.95853	22.4
133.02815	8.4
133.04872	9.5
134.05972	6.0
134.99661	17.4
137.02351	75.9
137.03409	9.7
138.05612	4.7
143.00127	6.7
144.95714	5.5
145.04977	15.3
146.99654	9.0
147.07603	5.7
149.97212	21.4
150.05519	11.8
150.96941	20.2
151.03934	5.4
155.04659	10.6
158.99699	11.7
161.01295	8.8
161.07103	15.6
161.97322	6.6
162.05478	7.9
162.07472	30.7
163.03984	6.2
163.05894	4.4
166.55365	4.7
168.05409	12.2
173.97198	34.4
174.96959	25.4
177.00717	25.2
177.05986	20.7
181.00125	5.0
185.06749	4.8
186.07617	7.5
189.00757	7.1
191.98268	37.7
192.98004	7.4
204.08749	27.3
209.06801	4.8
213.08841	10.2
219.01797	6.0
223.01183	6.5
229.04968	6.3
233.99303	10.1
234.99121	13.9
237.02876	10.6
252.04820	8.8
258.13324	9.0
261.02823	5.9
270.05789	10.6
276.14352	18.0
294.06137	7.5
294.11111	37.1
294.15366	21.6
294.18341	6.9
294.61682	10.7
295.13242	6.3
309.08646	17.9
312.06934	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	293.284
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03920	2.8
53.17374	0.9
55.01862	2.0
55.05513	25.3
55.54662	0.9
56.96555	2.1
57.03416	1.0
57.06824	1.4
57.07079	20.9
61.46996	0.9
65.03924	1.3
67.05177	1.5
67.05510	28.0
69.03421	4.1
69.07072	53.4
69.48409	7.1
69.48819	1.8
71.04983	2.9
71.08631	8.1
76.95316	0.9
79.05495	13.4
80.79305	1.0
81.03429	1.7
81.07062	92.1
82.07379	1.9
83.04984	1.9
83.08145	1.6
83.08627	31.9
85.02912	1.3
85.06550	13.4
85.10172	3.2
87.04482	1.2
89.21889	1.0
91.05470	5.6
92.32155	0.9
93.06476	1.4
93.07051	24.7
95.04952	4.1
95.08613	100.0
96.08934	1.3
97.02923	1.2
97.06516	3.6
97.10175	16.2
98.97599	6.6
99.08089	8.7
103.05476	1.0
105.07039	6.2
107.08599	28.7
109.06518	1.6
109.10162	53.3
111.08083	7.0
111.11732	14.3
113.09663	1.5
116.98624	3.9
117.06985	1.3
119.08539	4.6
121.06478	1.1
121.10152	14.3
123.11715	45.2
125.09629	4.0
125.13276	5.6
128.98642	1.2
131.04918	1.6
131.08580	1.3
133.10138	2.8
135.11702	8.7
137.09589	1.6
137.13261	48.0
139.11166	2.8
139.14774	2.5
143.00169	1.0
145.10138	1.8
147.04366	0.9
147.11644	2.3
149.01285	1.1
149.02390	2.4
149.09613	2.2
149.13264	24.3
151.11159	1.8
151.14824	7.3
153.12740	2.9
155.14378	1.1
158.99686	1.5
159.11757	1.5
161.01192	1.2
163.11227	1.7
163.14828	6.4
165.16437	6.0
167.14328	15.3
169.15886	1.5
173.13277	1.3
175.07744	1.1
175.14807	1.9
177.00682	1.6
177.16409	3.3
179.17929	3.5
189.00807	2.0
191.17979	2.7
193.19440	2.0
201.00719	2.2
205.19521	1.8
219.01736	1.2
219.21001	2.0
229.04924	1.1
233.15536	1.0
237.02930	1.4
237.22098	2.3
249.25780	2.2
257.18927	1.8
272.10947	11.5
272.61081	4.0
275.20041	5.6
275.27383	9.9
281.11432	2.6
291.03958	1.7
292.62054	2.4
293.21274	5.7
293.28397	55.7
294.12149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.03072	1.0
51.23941	0.9
51.89499	1.0
53.03932	2.8
55.01877	13.5
55.05513	28.4
56.96575	1.9
57.03430	4.8
57.07076	3.6
60.68637	1.1
60.79969	1.1
67.05508	42.8
69.03429	4.1
69.06718	1.9
69.07067	24.8
69.60119	8.1
71.04992	3.5
71.08639	1.5
72.70622	1.2
76.33199	1.1
79.05496	40.1
81.03422	6.9
81.07060	65.2
82.07378	2.4
83.04987	8.5
83.08625	21.9
85.02879	1.9
85.06534	3.2
91.05484	32.3
93.07050	31.8
95.04976	25.8
95.08609	39.9
96.08977	2.2
97.06535	15.3
97.10165	14.1
98.97571	3.1
99.04456	1.3
99.08057	1.9
103.05468	1.7
105.07035	34.3
107.04968	9.8
107.07863	2.6
107.08597	53.2
108.08891	1.6
109.06524	13.0
109.10160	18.7
111.08061	4.9
116.98592	2.5
117.07024	10.3
119.06120	1.3
119.07780	2.1
119.08589	25.2
121.06555	5.9
121.10143	16.3
123.08059	6.4
123.11708	7.1
125.09644	14.5
129.07045	3.3
131.04994	3.0
131.08572	15.7
131.10272	1.1
131.43637	1.1
133.06564	2.8
133.10133	23.0
134.99716	1.8
135.08060	6.2
135.11700	11.0
137.09621	4.2
137.13300	2.2
139.11180	1.5
143.08569	2.7
145.06468	1.6
145.10117	15.0
147.08067	2.8
147.10612	1.8
147.11690	15.4
149.09630	23.9
149.13275	3.3
151.11186	6.2
153.09064	2.0
153.12738	1.6
155.08583	1.7
157.10156	3.3
159.11710	10.3
161.09668	3.0
161.13264	5.3
163.11208	12.2
163.14772	1.3
165.09117	2.7
165.12769	3.2
169.10129	2.6
171.11742	3.0
173.09639	2.8
173.11952	1.5
173.13229	7.0
175.11241	3.7
175.14844	2.0
177.12762	4.6
179.14319	2.5
183.11667	2.4
187.11205	2.4
187.14867	2.3
189.11238	11.5
189.12733	2.4
191.14278	1.9
193.12236	2.4
197.13301	2.2
199.14821	1.4
201.12802	1.4
201.16348	1.7
203.12645	1.2
205.12276	2.3
205.15924	1.7
215.14406	1.7
223.13345	7.6
229.19501	4.5
233.15335	2.4
239.18004	4.9
247.20619	5.7
257.19070	9.0
264.14713	1.8
265.21643	1.4
273.80875	1.2
275.20074	100.0
276.20477	3.4
293.07919	2.2
293.13828	1.5
293.17764	2.8
293.21121	42.8
293.27924	4.7
293.63382	1.3
294.21619	2.0
302.02121	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03944	3.4
55.01865	7.1
55.05516	19.6
57.03428	2.8
67.05511	31.9
67.36034	3.1
68.03859	2.5
69.07065	12.8
70.39146	2.8
70.53909	2.7
71.04970	3.2
71.06100	7.6
75.79665	3.0
79.05498	21.2
81.03416	4.6
81.07056	50.2
83.04963	5.8
83.08621	17.6
85.06607	2.8
91.05487	22.0
93.07050	29.3
95.04974	37.4
95.08607	22.5
95.12864	2.3
97.06532	10.3
97.10163	8.3
105.07059	22.1
107.04952	6.2
107.08591	23.5
109.06515	12.2
109.10182	13.5
111.08098	4.7
115.43587	2.6
117.07017	5.3
119.08571	18.9
121.06517	6.5
121.10129	17.5
123.08102	5.5
123.11732	3.8
125.09584	4.4
131.08571	16.4
133.10149	13.5
135.08066	6.5
135.11722	10.1
135.41411	2.4
136.53215	2.6
137.09660	6.4
145.10135	16.9
147.07927	2.4
147.11690	12.9
149.09596	26.1
151.11147	6.3
159.11728	8.5
161.13231	3.7
163.11179	24.4
165.12759	5.5
169.10190	5.4
173.09654	3.3
173.13242	7.7
175.11270	3.2
177.12709	4.1
183.11754	3.2
187.11221	3.3
191.10608	2.4
191.14337	3.3
197.13309	4.3
223.13335	11.3
229.19585	6.6
239.18011	11.0
247.20567	6.3
257.19077	23.4
275.20074	100.0
276.20377	5.0
293.21136	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	5.4
55.01865	6.6
55.05512	18.2
57.03437	2.3
59.26490	1.8
67.05509	30.6
69.07074	16.5
71.00462	5.2
71.04973	1.8
77.12063	1.9
79.05498	35.6
81.03426	10.0
81.07059	100.0
82.13863	1.7
83.04990	5.4
83.08620	13.2
85.06551	3.2
91.05482	19.4
93.07053	22.4
95.04970	20.0
95.08612	23.8
97.06542	7.5
97.10162	9.0
105.07034	30.2
107.04929	9.5
107.08591	19.1
109.06524	48.0
109.10172	8.4
111.08084	5.4
117.07047	4.0
119.08580	22.5
121.06531	5.1
121.10153	14.0
123.08064	10.0
123.11722	5.9
125.09618	6.9
131.08600	13.8
133.10138	14.8
135.08037	4.6
135.11742	5.6
137.09624	7.7
145.10152	10.8
147.08113	3.7
147.11674	18.7
149.09657	8.9
149.13251	6.9
151.11179	4.2
157.10170	3.2
159.08139	2.0
159.11696	10.2
161.13319	5.0
163.11220	9.5
164.70999	2.5
165.12747	6.4
170.87549	2.0
171.11732	2.4
173.09575	2.0
173.13271	2.1
175.11200	2.8
177.12793	4.0
189.11313	4.7
193.12312	6.0
207.14073	2.0
229.19550	5.5
239.17940	2.5
247.20671	6.2
257.19003	11.4
275.20081	90.7
276.20456	2.9
279.62344	2.2
293.21124	59.3
294.21436	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03935	6.8
53.52972	3.4
55.01876	11.5
55.05294	2.5
55.05512	23.6
57.07061	2.5
67.05179	2.6
67.05512	35.7
68.44320	2.5
69.07064	18.6
71.04848	6.8
79.05492	39.3
81.03442	6.9
81.07061	100.0
83.04993	5.9
83.08640	17.8
91.05479	26.2
93.07049	33.2
93.62335	3.4
95.04974	31.0
95.08620	26.0
97.06532	12.8
97.10150	4.6
100.06858	2.8
105.07034	32.5
107.04944	12.5
107.08615	20.0
109.06526	48.5
109.10148	13.8
111.08092	6.8
117.07001	9.0
119.08593	25.1
121.06469	5.1
121.10213	13.3
121.10907	2.9
123.08060	10.4
123.11666	5.8
125.09607	4.1
129.07040	3.2
131.08549	11.2
133.10127	19.2
135.08072	7.3
135.11678	5.9
137.09619	4.2
142.37587	2.8
145.10118	17.4
147.11697	11.2
149.09608	14.7
149.13263	7.0
151.11191	7.9
151.65404	3.0
157.10077	3.7
159.11699	8.4
163.11206	13.6
165.12814	3.5
172.22543	2.9
173.09705	4.8
177.12796	4.9
187.11232	4.1
188.54224	2.6
193.12323	5.2
201.12622	3.5
212.98985	2.9
219.17636	2.9
223.13231	9.0
229.19548	3.7
239.17978	5.3
243.38213	3.7
247.20483	10.1
257.19000	8.5
275.20099	97.4
276.20340	4.2
293.21118	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	3.4
55.01870	8.7
55.05261	2.8
55.05513	34.5
57.03439	5.1
57.07070	9.7
65.03922	2.7
67.05505	45.5
69.03447	4.3
69.07070	39.8
70.21745	9.5
71.04985	4.5
79.05496	51.5
81.03423	6.8
81.07059	95.8
82.07387	3.2
83.04987	7.0
83.08630	19.7
85.06537	4.1
91.05486	30.2
93.07052	31.5
95.04975	39.9
95.08608	29.5
97.06532	10.5
97.10173	15.1
98.20780	2.8
99.08117	2.2
100.82551	2.0
105.07037	34.9
107.04968	9.3
107.08595	51.4
108.08961	2.8
108.95074	2.0
109.06522	26.6
109.10173	18.5
111.08059	4.9
115.07579	3.7
117.07011	12.2
119.08585	30.4
121.06518	4.4
121.10155	18.1
123.08071	8.6
123.11723	6.7
125.09653	15.2
125.10423	2.4
129.06998	2.5
131.08577	20.8
133.10132	26.6
135.08061	8.6
135.11717	4.7
137.09633	8.3
143.08572	2.3
145.10114	12.7
147.11719	18.0
149.09642	20.5
149.13264	4.3
151.11209	6.0
157.10048	4.1
159.11699	10.1
161.09642	2.4
161.13255	5.5
163.11230	10.9
165.12729	5.3
169.10222	3.0
171.11792	2.8
173.13297	8.0
175.11247	4.0
177.12732	3.5
183.11641	2.8
189.11189	11.1
197.07242	10.9
197.13239	3.0
223.13451	10.8
229.19614	2.6
239.17967	8.0
247.20619	5.1
257.19086	11.0
275.20074	100.0
276.20581	4.9
281.99207	2.5
293.21048	53.3
294.10034	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03948	19.5
55.01871	10.8
55.05513	45.9
57.03421	1.6
62.30556	1.2
64.35336	1.7
67.05177	2.3
67.05509	37.8
69.06727	1.3
69.07070	18.3
69.58689	8.1
69.59097	2.8
71.04995	3.8
75.01639	1.3
77.82921	1.5
79.05494	25.7
81.03420	41.8
81.07062	35.9
83.04979	6.4
83.08622	81.5
85.06532	3.4
91.05476	25.6
93.07045	19.7
95.01350	2.3
95.04969	23.5
95.08058	1.6
95.08611	16.3
97.06519	5.3
99.08072	1.8
101.05911	1.6
105.07031	15.9
107.04281	2.8
107.04955	32.0
107.08594	16.3
108.94666	1.6
109.06548	7.5
109.10161	3.9
111.08076	15.4
117.07018	11.9
119.08598	14.2
121.06492	2.7
121.10141	18.9
123.08048	2.9
125.09654	1.6
129.06979	3.2
131.04938	3.2
131.08585	9.6
133.10144	6.1
134.52452	1.4
135.08035	1.8
135.11670	9.2
143.08577	1.8
145.06523	8.6
145.07487	1.6
145.10139	21.9
147.08116	1.9
147.11688	8.9
149.09639	13.5
153.07051	2.3
153.08293	1.5
155.08505	9.1
159.11658	4.6
161.09773	1.4
161.13245	3.7
163.11179	26.3
165.12811	7.9
173.09639	15.2
173.13258	3.1
175.11168	2.3
181.12267	2.1
187.11133	1.4
187.95901	1.3
191.10670	7.1
201.12863	1.4
209.11758	3.1
247.20544	2.6
249.78580	1.5
257.18991	5.7
275.20074	29.7
276.20395	2.3
293.21118	100.0
294.21353	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.43521	0.6
53.03944	1.4
55.01661	0.7
55.01880	8.2
55.05514	26.8
57.03427	1.3
57.07090	1.5
65.03950	1.0
67.05508	17.6
68.67960	0.6
69.03431	1.9
69.06758	0.9
69.07075	8.1
69.80775	4.4
71.04993	2.2
71.08641	6.3
79.05061	1.3
79.05498	19.8
81.03423	7.0
81.07066	21.1
83.04984	6.8
83.08624	14.0
85.02895	2.5
85.06548	1.5
91.05495	10.1
93.07054	14.0
95.04974	65.2
95.08611	10.8
97.06550	3.8
97.10165	5.3
99.04452	1.0
99.08104	5.3
105.07028	9.3
107.04965	7.2
107.08604	14.7
109.06508	6.4
109.10162	6.1
111.04474	5.3
111.08076	4.4
113.09616	1.4
117.07005	4.4
119.08593	6.8
121.06521	4.6
121.10133	7.3
123.08095	3.4
123.11718	1.1
125.09638	5.5
129.06999	1.6
131.08572	5.9
133.10114	3.5
135.08052	2.4
135.11720	5.4
137.09633	1.8
139.11183	1.3
143.08507	1.3
145.10132	8.5
147.08069	2.6
147.11685	3.5
149.09636	13.0
149.13318	1.0
151.11237	1.2
153.09108	10.8
155.10609	0.8
157.10143	1.2
159.11667	3.6
161.09538	1.3
161.13242	0.8
163.11194	22.9
164.11568	0.7
165.12772	8.8
167.10660	2.1
169.10155	1.1
170.52840	0.7
171.10214	0.7
171.11729	1.0
173.13322	0.8
177.12746	4.4
181.12309	0.9
183.77849	0.7
185.11720	1.1
187.11185	2.8
189.11238	2.7
189.12743	0.7
191.14293	1.0
193.12292	2.0
195.13809	5.1
205.12268	3.6
223.11125	1.4
223.13313	25.3
229.19485	2.0
231.52296	0.8
237.14973	2.2
247.20604	3.6
257.18991	3.3
265.21808	0.8
275.20087	26.5
276.20526	1.0
293.21130	100.0
294.21536	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.38345	1.9
52.02320	2.1
53.03947	6.8
55.01875	14.9
55.05515	40.4
57.03431	5.8
57.07069	7.9
67.05511	41.6
69.03437	4.5
69.07076	22.3
69.91750	5.1
69.92158	11.2
71.04980	4.3
71.08635	3.7
79.05492	42.4
81.03425	16.1
81.07062	75.2
81.97810	2.4
82.07377	2.2
83.04978	8.4
83.08626	28.3
85.02919	3.7
85.06532	5.2
87.08083	2.5
91.05490	34.9
93.07054	33.7
95.04981	54.8
95.08611	26.3
97.02888	2.1
97.06536	14.9
97.10178	9.1
98.21543	2.7
98.81518	2.2
99.08118	3.2
105.07050	28.6
107.04948	16.2
107.08613	30.6
109.06537	23.5
109.10146	12.3
111.04442	4.4
111.08098	7.4
113.48844	2.5
117.07036	9.0
119.08595	23.6
121.06521	9.9
121.10139	19.0
123.08087	13.9
123.11691	6.3
125.09632	10.7
128.06235	3.1
129.07005	4.0
131.08585	15.2
133.10144	17.7
135.08055	5.9
135.11687	8.7
137.09618	12.2
145.10153	14.5
147.11723	12.4
149.09636	25.4
149.13318	5.3
151.11205	4.6
153.05540	2.3
159.11707	8.9
161.09599	3.4
161.13257	5.7
163.11214	22.0
165.12822	4.9
167.10678	3.4
171.11676	4.2
173.09668	4.6
173.13298	6.4
177.12720	5.1
179.14230	2.4
181.05034	4.2
189.11230	3.9
191.14413	3.2
197.13318	3.5
205.12256	3.3
209.11763	4.2
223.13387	18.0
229.19601	4.8
237.11221	7.1
239.18056	4.3
247.20625	9.3
257.19006	9.9
269.05087	2.3
275.20074	94.8
276.20621	3.8
291.82117	2.6
293.21146	100.0
294.21524	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	11.0
55.01868	14.2
55.05302	2.9
55.05515	35.7
56.27641	2.4
57.07059	5.8
67.05509	52.4
69.07068	33.9
70.86167	7.2
71.04981	4.1
79.05498	52.5
81.03420	35.5
81.07062	95.3
83.04975	12.0
83.08626	27.7
85.06520	4.4
85.31161	3.0
91.05477	43.8
91.23108	2.5
93.07046	45.8
95.01319	6.5
95.04970	41.2
95.08614	41.0
97.06522	18.9
97.10182	5.3
99.08077	6.4
105.06386	4.4
105.07034	57.5
107.04942	18.7
107.08586	22.0
109.06529	37.1
109.10159	11.9
111.08087	8.0
117.07015	9.3
119.08585	36.1
121.06490	8.2
121.10170	15.2
123.04451	3.6
123.08074	12.6
123.11699	4.8
125.09608	4.3
129.07133	2.9
131.08556	15.4
133.10132	32.5
135.08073	7.7
135.11691	13.7
137.09598	4.6
143.08551	3.4
145.06477	6.4
145.10132	20.5
147.11702	20.9
149.09630	18.7
149.13286	12.4
151.11194	6.2
153.09137	4.0
157.10132	4.4
159.11755	14.5
159.12865	3.2
161.13255	5.2
163.11192	13.4
163.14815	5.1
165.12727	6.0
169.10098	3.5
173.09602	3.5
173.13181	4.6
175.11098	3.4
177.12738	8.6
179.14326	11.0
183.11671	3.5
187.11214	8.8
187.14845	3.9
195.13756	2.8
205.12340	5.7
223.13335	9.3
229.19547	7.3
237.11172	6.3
241.14470	3.1
241.55847	2.6
247.20494	15.6
257.19006	8.1
264.88232	2.6
275.20074	100.0
293.21118	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	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	1.7
55.01880	2.8
55.05510	9.9
57.07066	2.4
64.74652	1.1
67.05509	18.3
69.03457	1.4
69.07069	15.8
70.07412	4.7
70.07835	2.8
71.04986	1.2
79.05502	11.9
81.03416	2.7
81.07063	25.7
83.04991	4.8
83.08631	3.7
88.85082	1.3
91.05492	13.5
93.07053	14.1
95.04955	8.6
95.08610	12.9
97.06505	2.0
97.10177	3.2
101.06107	1.2
105.07042	16.0
107.04959	4.9
107.08600	10.6
107.24793	1.2
109.06512	9.9
109.10153	6.5
117.07016	4.6
119.08582	10.8
121.06482	6.2
121.10156	7.3
123.08074	2.9
123.11695	2.4
125.09599	1.9
129.07007	1.4
131.08580	9.9
133.06541	2.9
133.10136	13.8
135.08051	4.3
135.11703	4.4
145.06494	1.7
145.10095	7.9
147.08118	2.3
147.11690	10.2
149.09621	2.6
149.13290	1.4
151.11162	5.9
157.10136	3.2
159.08073	2.3
159.11714	4.9
161.09615	1.5
161.13281	2.3
163.11198	4.0
169.10106	1.3
173.13264	5.2
175.14746	1.6
177.12857	1.3
189.12915	1.3
191.14194	2.1
201.12766	1.9
207.13765	2.5
215.17934	1.7
219.13869	2.2
223.13338	1.4
225.93452	1.3
229.19499	2.4
239.18060	3.6
247.20630	3.3
257.19034	11.5
275.20078	100.0
276.20447	3.5
293.21124	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.02788	1.5
53.03947	3.8
53.89894	1.1
55.01878	8.8
55.05514	19.8
57.03444	4.0
57.07072	2.9
65.03928	3.0
67.05507	43.2
69.03434	1.6
69.07071	17.6
70.22619	3.5
70.23008	2.8
71.04969	1.9
72.37122	1.2
79.05055	3.0
79.05497	39.4
81.03410	6.6
81.07061	100.0
83.04982	6.0
83.08629	13.3
85.06548	2.7
91.05487	27.9
93.07050	31.6
95.04974	15.5
95.08611	30.0
97.06559	8.1
97.10169	4.7
98.20841	1.6
99.08100	2.1
105.07037	30.9
107.04958	5.7
107.08592	22.0
109.06521	27.6
109.10165	17.0
111.08096	6.2
117.07022	9.5
119.08583	35.6
121.06517	5.7
121.10167	17.3
123.08089	11.1
123.11735	6.6
125.09649	3.4
129.07039	1.9
131.08589	11.0
133.06619	1.7
133.10138	23.1
135.08083	5.0
135.11720	8.4
137.09604	8.7
143.08591	3.3
145.06392	1.5
145.10127	12.0
147.08075	2.4
147.11690	18.4
149.09641	11.8
149.13303	3.7
151.11192	5.9
157.10190	3.4
159.11711	10.7
161.09637	2.8
161.13194	2.6
163.11201	10.5
165.12828	3.3
169.10089	2.6
171.11687	2.6
173.13289	6.5
175.11197	4.1
177.12753	3.1
183.11760	2.3
187.11261	2.0
187.14838	1.5
193.12247	2.0
197.13330	2.0
209.34303	1.5
223.13280	3.5
229.19510	1.6
233.18849	1.6
234.71980	1.4
239.17940	3.6
247.20598	6.0
257.19092	8.8
275.20084	84.2
276.20486	3.4
293.21136	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	9,10-EOT
Peak:m/z	Relative Intensity
52.42770	1.8
53.03940	6.0
55.01860	8.0
55.05509	20.0
57.03427	4.1
59.68684	2.0
65.03922	3.6
67.05505	43.1
69.03419	2.8
69.07066	20.2
70.83759	6.6
71.04994	4.4
79.05492	35.9
81.03428	4.7
81.07052	100.0
82.07334	5.0
83.04968	5.1
83.08614	12.0
85.06515	3.5
86.34381	2.1
91.05475	30.7
93.07037	30.3
95.04988	15.2
95.08604	28.4
97.06512	9.0
97.10152	6.1
105.07031	33.7
107.04935	9.4
107.08585	24.9
109.06512	25.1
109.10154	23.8
111.08057	2.7
117.06232	2.2
117.06985	10.1
119.08574	34.0
121.06470	5.5
121.10119	14.4
121.32831	1.9
123.08051	9.4
123.11694	7.2
125.09561	2.8
129.06990	2.8
131.08574	12.9
133.10127	33.7
135.08067	7.6
135.11687	6.5
137.09612	8.8
140.98285	2.4
143.08562	2.1
145.10103	14.1
147.11661	15.8
149.09633	11.4
149.13240	4.3
151.11136	11.1
157.10072	3.8
159.11681	9.1
161.13232	2.4
163.11156	9.6
163.39029	2.0
165.12770	4.2
169.09914	2.1
173.13237	5.5
175.11227	2.3
177.12759	3.0
189.11140	2.6
197.13292	2.1
202.23752	2.2
223.13293	2.3
229.19362	3.7
239.17885	4.0
247.20547	8.8
257.18945	7.1
275.20059	68.8
293.21069	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	3.4
55.01878	22.4
55.05513	25.5
56.96523	1.3
57.03431	2.0
65.84294	1.1
67.05171	2.5
67.05511	32.3
69.03428	1.5
69.07078	14.5
70.22631	4.1
71.04983	3.0
79.05498	40.4
81.03414	7.3
81.07060	37.4
83.04980	6.1
83.08614	13.1
85.06590	1.3
86.16759	1.3
88.57288	1.1
88.75112	1.2
91.05487	26.6
93.07051	27.5
95.04980	13.1
95.08609	18.7
97.06538	27.9
97.10178	13.9
105.07041	33.3
107.04958	7.7
107.08602	67.9
108.01904	1.2
109.06529	11.2
109.10166	8.9
111.08067	3.1
116.06208	1.1
117.07032	8.0
119.08583	17.9
121.06519	3.3
121.10139	11.5
123.08058	6.3
123.11712	3.5
125.09643	14.4
128.06270	1.4
129.07018	2.3
131.08568	11.8
133.06512	1.5
133.10147	16.9
135.08076	5.2
135.11694	6.6
137.06015	1.7
137.09656	1.7
141.07059	2.0
145.10124	12.6
147.11710	13.5
149.09636	15.2
149.13275	3.3
149.43307	1.1
151.11195	5.1
153.09082	2.2
153.12848	1.2
157.10152	2.8
159.11719	9.2
161.09636	1.8
161.13275	5.2
163.11153	10.1
165.09158	3.6
165.12775	1.3
169.10080	1.9
171.10251	1.4
171.11667	3.1
173.13292	5.1
175.11250	1.4
177.12762	2.9
179.14249	1.6
181.12248	2.0
185.13326	1.9
187.11197	3.1
187.14812	1.3
189.11259	12.4
189.12766	2.0
191.14218	1.5
205.12483	1.5
208.82185	1.1
215.18123	1.9
223.13356	3.6
229.19608	3.5
239.18001	5.1
247.20506	5.7
257.18979	11.5
275.20084	100.0
276.20444	2.8
293.21130	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	5.6
55.01873	23.0
55.05515	28.9
56.96568	3.1
57.03436	10.4
57.07080	3.9
65.29330	2.0
67.05508	50.1
69.03452	4.4
69.07069	33.5
69.38068	4.3
69.38485	18.1
71.05013	3.9
71.08620	3.4
72.45693	2.3
79.05498	54.8
79.30690	2.2
80.05846	4.4
81.03426	9.7
81.07063	84.9
82.07410	3.0
83.04993	10.6
83.08617	18.7
85.02901	3.8
85.06551	6.6
91.05489	39.9
91.76085	2.7
92.05841	5.8
93.07051	36.4
95.04976	67.6
95.05558	4.6
95.08612	32.2
95.09160	3.3
96.05342	3.2
96.08926	2.6
97.06540	21.9
97.10178	8.8
99.08101	5.4
105.07040	37.0
106.07390	3.9
107.04961	11.8
107.08595	30.8
109.06527	35.1
109.10168	12.3
110.06890	9.7
111.07139	2.8
111.08090	6.4
117.07034	14.6
119.08572	22.5
120.08932	3.8
121.06540	12.5
121.10142	15.5
123.04455	3.7
123.08080	10.5
123.11728	4.8
124.04845	2.2
125.09680	6.7
129.07014	4.3
131.08583	16.3
133.10155	23.0
135.08044	21.0
135.11736	9.3
136.08398	11.3
137.08665	6.4
137.09680	7.5
143.08607	2.8
145.10135	17.5
147.08107	6.3
147.11697	14.5
149.01257	3.0
149.09653	21.8
149.13289	4.1
149.89804	2.3
150.10008	2.4
151.11241	10.2
153.09123	2.7
157.10143	6.3
159.11731	14.1
161.09613	3.2
161.13268	7.2
163.11208	12.8
163.14836	3.7
165.09178	2.5
165.12788	6.7
167.64322	2.3
169.10144	3.5
170.11090	2.2
173.13365	4.7
175.11295	2.7
177.12790	7.5
185.13391	2.5
187.11189	7.0
187.14789	3.0
189.11243	3.5
193.12300	3.5
205.12250	5.2
219.16887	3.6
222.88947	2.2
223.13306	20.9
229.19504	4.7
232.10194	2.1
239.18089	3.6
243.25357	3.3
247.08589	2.9
247.20659	5.0
257.19055	14.2
275.20084	100.0
293.21078	93.1
293.27676	14.0
294.21677	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02368	1.4
52.08780	1.3
53.03939	3.3
55.01876	12.2
55.05264	1.8
55.05514	31.2
57.03426	4.3
57.07060	2.3
65.03951	1.3
67.05173	1.9
67.05506	29.7
69.03412	3.2
69.07073	11.9
69.26516	1.2
70.86356	2.2
70.86697	2.7
71.04984	3.8
71.08616	4.6
79.05064	2.2
79.05497	39.3
79.54192	1.3
81.03421	8.5
81.07058	61.8
83.05000	7.4
83.08617	16.4
85.02901	4.0
85.06548	3.2
91.05478	27.8
93.07048	29.3
95.04974	74.3
95.08612	17.9
97.06561	6.3
97.10172	12.5
99.08100	5.5
105.07039	24.4
107.04962	10.0
107.08601	42.4
109.06514	29.7
109.10161	11.0
111.08086	8.8
113.09666	1.7
117.07021	6.7
118.27962	1.2
119.08578	20.1
121.06499	6.6
121.10161	9.9
123.08075	5.4
123.11686	2.7
125.09615	8.7
129.07004	2.2
131.08553	11.6
133.10132	18.2
135.08057	5.1
135.11729	7.2
135.12581	1.3
135.63029	1.4
137.09615	4.1
143.08597	3.1
145.06541	1.5
145.10127	17.2
147.08051	4.7
147.11665	10.5
149.09621	23.6
149.13286	3.1
151.11142	6.8
153.09116	2.5
155.08638	2.1
155.10701	1.5
157.10146	3.0
159.08131	1.3
159.11757	7.0
161.09593	3.4
161.13278	3.0
163.11194	17.9
165.12775	5.7
165.14041	1.4
166.32143	1.2
169.10120	2.0
171.10136	1.3
171.11678	2.2
173.13309	3.8
175.11198	2.0
177.06506	1.4
177.12743	5.1
177.69904	1.4
179.14229	1.1
181.12357	2.5
183.11719	2.4
185.13216	3.1
187.11247	2.6
189.11235	9.8
193.12267	2.3
195.13881	1.7
197.13150	2.0
201.12711	1.4
203.14348	1.8
205.12244	4.2
207.67863	1.2
213.05362	1.5
215.14258	2.0
219.17371	3.7
221.15239	1.4
223.13283	30.5
229.19513	3.6
233.15375	2.7
239.17970	1.9
247.20674	4.0
257.19009	7.8
275.16943	2.2
275.20078	73.9
293.21115	100.0
294.21759	1.5
299.13885	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.03927	9.1
54.91140	2.4
55.01866	8.1
55.05261	3.3
55.05511	41.5
57.07074	3.1
61.49599	2.6
67.05507	40.0
69.07071	16.9
70.19313	8.6
79.05063	3.0
79.05497	37.9
80.92117	2.4
81.03430	13.4
81.07058	54.3
83.04976	9.1
83.08621	34.0
91.05486	26.7
91.80480	2.6
93.07046	28.7
95.04980	61.0
95.08616	17.3
96.33430	2.7
97.06536	7.7
97.10185	14.0
105.07036	26.2
107.04968	20.0
107.08586	25.5
109.06520	21.9
109.10160	12.3
111.08087	11.9
115.05450	3.8
117.07024	9.3
119.08588	24.9
121.06547	5.3
121.10174	18.3
123.08070	7.3
123.11673	5.8
124.50307	2.8
125.09659	16.2
126.20341	2.6
129.07002	3.1
131.08600	12.7
133.10118	18.7
135.08080	7.2
135.11678	8.4
137.09608	5.3
145.10149	23.1
147.08089	6.4
147.11673	9.4
149.09633	27.9
149.13275	5.9
151.11197	3.5
153.09262	2.6
155.08533	3.7
159.11728	9.7
161.13226	6.0
162.17596	2.7
163.11194	28.8
165.12724	5.1
169.10078	3.1
171.11676	3.5
173.09625	4.0
173.13281	3.6
175.11259	4.1
177.12686	4.9
187.11121	3.0
189.11212	9.8
205.12360	5.5
215.17802	2.7
220.39513	2.9
223.13275	28.1
225.19402	2.8
239.17976	7.3
247.20718	6.6
257.19000	14.9
275.20087	100.0
276.20587	4.7
285.07120	2.8
289.09473	4.3
293.21133	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	293.1384
Annotation	40321-98-0
Peak:m/z	Relative Intensity
55.01862	0.4
55.05508	1.6
56.96555	0.4
57.03413	0.2
57.07077	10.0
57.16853	0.1
59.04973	0.4
64.27810	0.1
65.03931	1.1
67.05507	1.9
69.03405	0.6
69.07067	1.9
69.46317	1.3
71.04996	8.7
71.08630	0.3
79.05502	1.3
81.03405	0.3
81.07061	5.2
83.04980	0.3
83.08617	1.1
85.02882	0.5
85.06517	0.5
89.06029	2.0
91.05488	0.9
93.03403	0.5
93.07053	1.6
95.04960	0.9
95.08611	5.5
97.02882	0.3
97.06529	0.6
97.10173	1.0
98.97588	0.9
99.08058	0.5
104.78038	0.1
105.07027	1.0
107.04985	0.3
107.08603	1.9
109.02859	0.2
109.06518	0.4
109.10153	2.5
111.04421	0.4
111.08098	0.2
111.11699	0.5
115.03918	0.2
116.98637	0.8
117.07001	0.6
119.08566	0.9
121.02871	5.0
121.03924	0.4
121.06532	0.2
121.10168	0.9
123.08039	0.3
123.11715	1.6
125.09621	0.5
131.04922	0.6
131.08556	0.3
133.02858	0.4
133.10120	0.6
134.99660	0.5
135.08034	0.3
135.11716	0.7
137.09628	0.2
137.13271	2.5
143.00157	0.1
145.06491	0.6
145.10117	0.4
147.11681	0.4
149.02345	100.0
149.09607	0.4
149.13254	0.6
150.02698	1.8
151.14799	0.3
158.99701	0.2
159.11732	0.4
161.13268	0.2
163.11201	0.3
163.14845	0.3
165.16443	0.2
167.02132	0.3
167.03423	3.3
167.14337	0.4
173.06013	0.5
173.09531	0.1
173.13156	0.2
175.11320	0.1
177.00691	0.3
187.11229	0.2
189.11240	0.2
190.05002	1.0
201.05531	0.4
205.08589	0.3
219.01877	0.2
219.06538	3.2
219.08556	0.2
237.07567	0.3
239.17816	0.1
249.02908	0.2
257.18982	0.4
271.08618	0.3
272.10910	1.7
272.60999	0.7
275.20071	1.9
275.27252	0.3
281.11533	0.4
281.61627	0.2
289.09647	0.5
291.03961	0.3
292.62149	0.8
293.13892	5.3
293.21136	1.2
293.25162	0.3
293.28363	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03938	1.0
53.37091	0.3
55.05511	21.4
56.96549	0.4
57.03448	0.4
57.05007	0.3
59.03795	0.4
61.60141	0.3
65.03934	1.4
67.05502	0.7
69.03456	0.4
69.07047	0.9
71.04970	0.4
71.16666	1.0
73.06554	4.1
75.39407	0.4
79.05494	0.6
81.07054	1.5
83.04977	0.4
85.02911	0.4
91.05455	1.8
93.03415	0.7
93.07056	0.8
95.04980	0.5
95.08595	1.2
98.97592	0.4
102.90864	0.3
105.07039	0.7
107.04920	0.3
107.08554	0.7
108.99027	0.3
109.02843	0.6
109.06550	0.5
109.10155	1.0
111.04434	0.7
116.98631	0.4
119.08598	0.6
121.02866	8.6
121.03864	0.7
121.10197	0.5
123.11671	0.5
129.07005	1.9
130.07791	0.3
131.04965	0.4
131.08582	2.7
143.04916	0.4
147.11620	0.3
149.02344	100.0
150.02701	2.1
157.06462	0.5
161.05960	3.6
167.03416	2.2
172.68533	0.4
175.07552	13.8
176.07860	0.4
180.19051	0.3
185.05966	0.6
190.05008	0.6
203.07040	17.3
204.07370	0.6
221.08078	4.1
275.12769	0.7
275.20078	0.6
293.13849	7.6
293.21057	0.8
293.24710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1232
Annotation	Itoside L
Peak:m/z	Relative Intensity
50.34965	0.9
50.75444	1.0
53.03944	1.7
55.01862	2.9
55.05510	2.3
56.96554	2.9
57.03424	4.3
57.07077	10.5
61.02931	7.0
65.03928	2.5
67.05508	19.6
69.03428	15.8
69.07047	3.6
70.06595	1.8
71.05000	8.0
71.58266	1.0
73.02892	3.2
79.05498	2.1
80.64976	1.1
81.03415	4.7
81.07043	3.7
83.06131	1.7
84.04492	1.7
84.96039	1.7
85.02908	71.8
85.06541	8.0
87.04471	1.6
90.67407	1.0
91.03944	2.7
91.05488	1.8
93.07039	2.0
95.04971	25.1
95.08598	2.6
97.02898	14.0
98.97572	3.2
99.04438	2.9
105.07023	2.8
107.08597	1.8
107.77537	1.0
109.02893	5.5
109.06525	1.4
113.06014	58.4
114.86977	1.1
116.98618	1.8
119.08598	1.3
121.10097	1.2
127.03918	12.0
131.07045	100.0
131.96111	2.2
132.04463	6.5
132.07347	1.9
134.99673	2.7
135.11707	1.3
139.03860	2.4
145.04965	15.7
147.04420	1.3
148.03952	3.6
149.02365	1.2
149.97205	1.4
158.99701	1.1
161.01201	1.6
161.07112	2.1
163.06068	2.4
163.11140	1.1
163.28543	1.0
172.97333	1.4
173.97232	3.1
177.00731	2.0
191.02263	1.8
208.01456	1.0
249.63162	1.1
250.10945	1.5
251.04379	7.3
269.05380	9.5
275.20020	5.6
293.05606	3.4
293.21173	1.4
294.09811	2.0
311.06503	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	293.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01875	2.4
55.05258	2.5
55.05512	31.7
56.96569	4.7
57.07084	1.7
59.05006	1.6
63.08419	1.2
65.03929	3.0
67.05508	11.3
69.03436	3.2
69.07069	7.4
69.39756	2.8
69.40160	12.0
70.06571	2.4
71.04999	5.9
73.06560	9.9
77.85266	1.4
79.05501	7.7
81.03428	2.8
81.07064	18.2
83.04985	6.3
83.08620	3.4
85.02919	10.9
85.06540	3.2
91.05485	80.6
92.05791	2.4
93.07041	7.7
95.04959	9.3
95.08611	11.8
96.08990	1.6
97.02911	1.8
97.06541	3.8
97.10183	2.2
98.21449	2.4
98.97582	3.5
98.98495	1.6
101.06011	3.0
103.05479	1.4
105.07049	9.8
107.04930	2.0
107.08588	7.6
109.02894	4.3
109.06526	3.3
109.10153	8.7
111.04427	2.3
111.08077	2.4
115.05454	3.3
116.98574	2.6
117.03405	2.1
117.07019	3.7
119.04974	2.5
119.08582	6.0
121.02899	9.5
121.06519	2.0
121.10147	5.7
123.04473	3.1
123.08080	2.0
123.11741	3.9
128.06213	2.5
128.98639	1.9
129.05475	3.8
129.07034	4.3
131.04922	2.8
131.08611	6.1
132.88545	1.4
133.10152	2.9
134.99695	3.2
135.04419	1.8
135.08093	2.9
135.11713	4.0
137.09637	3.9
139.11211	1.6
141.06952	1.7
145.02844	3.7
145.06494	3.4
145.10222	2.9
146.99684	3.2
147.04419	3.5
147.11787	3.4
149.02350	100.0
149.09666	4.1
149.13258	2.0
152.14555	1.4
153.05510	1.9
157.06548	1.7
159.11731	2.3
161.05997	6.9
161.13237	1.7
163.03958	3.5
163.11096	2.5
167.03419	9.4
173.06010	3.6
175.07571	18.7
177.05441	7.5
178.05827	2.2
181.01312	1.6
185.06047	1.5
189.00679	2.0
191.10666	1.8
193.15887	1.7
196.60802	1.3
202.02718	1.5
203.07030	28.7
205.04907	1.7
215.03435	1.9
219.08018	2.8
233.04509	2.2
237.02866	2.0
257.19135	1.9
265.08658	4.9
275.05548	4.1
275.13065	6.9
275.20016	9.9
278.09290	1.6
293.05374	1.8
293.08316	20.8
293.11606	4.8
293.14017	5.3
293.21152	8.1
293.24512	2.4
293.27600	1.6
294.08411	1.7
311.09100	6.4
311.26688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
68.73832	2.3
69.83012	14.2
84.80015	2.0
93.02892	2.1
98.21503	2.7
111.71658	2.7
115.75166	2.3
159.16829	2.5
249.01591	2.5
293.06351	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.9
53.53471	0.8
55.01870	1.4
55.05513	5.5
57.03440	12.9
59.05008	1.8
61.02917	2.2
65.03929	0.8
67.01884	1.6
67.05506	2.4
69.03437	7.9
69.07056	1.6
70.06602	1.5
70.95830	0.6
71.01360	4.5
71.04998	34.2
71.24083	2.0
72.52960	0.7
73.02914	4.7
75.04488	8.6
79.05487	2.1
81.03426	2.9
81.07072	1.5
83.04987	27.8
84.04520	1.4
85.02909	100.0
85.06522	0.8
86.03254	1.2
86.91811	0.8
87.04480	3.2
91.05485	5.3
93.07059	2.1
95.04980	7.8
95.08593	2.4
97.02896	2.1
97.06530	5.6
99.04468	4.8
101.06020	4.1
105.07030	2.2
107.04958	2.9
107.08602	1.1
109.02882	4.8
109.06519	1.8
111.04452	25.4
113.02372	1.1
113.06017	4.8
114.92255	0.7
117.05551	1.2
119.05035	0.8
119.08591	1.1
121.02929	0.8
121.06498	3.2
121.10201	1.1
123.04417	1.3
123.08110	1.2
125.06028	2.5
127.03935	2.8
129.05487	27.4
133.06496	0.9
135.04445	1.0
137.06007	1.8
137.09592	0.9
138.05505	0.8
139.03967	1.7
141.05505	1.0
143.06953	0.8
147.04471	1.1
147.06531	12.1
147.11792	0.7
149.05972	1.2
151.07558	1.4
153.05470	15.0
157.04936	3.7
159.06566	2.2
161.06027	1.2
167.07071	0.9
171.06552	8.6
175.05956	1.0
175.07507	0.8
177.05402	1.0
179.07024	1.6
183.06599	2.2
195.06682	0.8
201.07565	5.8
213.07504	3.5
221.08052	1.1
235.09558	0.9
239.09151	9.5
257.10214	4.7
275.11273	7.0
275.20212	1.2
292.78278	3.0
293.06293	0.8
293.12299	4.5
293.18228	1.3
293.21222	1.4
294.13306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03941	2.1
55.01874	1.9
55.05512	16.4
56.96558	0.9
57.03444	1.2
57.07085	5.3
65.03946	1.2
67.05507	27.0
67.22491	0.6
69.03432	2.6
69.07069	26.4
69.37556	6.3
70.06586	1.8
71.04992	1.9
71.08639	2.0
79.05498	13.5
80.18633	0.7
81.03419	2.1
81.07058	100.0
82.07395	1.4
83.04983	2.4
83.08620	13.4
84.04506	0.8
85.02891	1.6
85.06542	4.6
87.08142	1.0
91.05479	7.1
93.07050	23.4
94.07310	0.9
95.04988	3.2
95.08609	74.6
96.08938	2.3
97.06499	3.9
97.10173	8.7
98.97585	1.5
98.98454	0.9
99.04443	1.2
99.08084	3.3
105.04499	0.7
105.07023	7.1
107.04911	1.6
107.08598	28.5
108.08877	0.8
109.02892	0.9
109.06537	2.8
109.10155	46.3
110.10503	1.2
111.08083	5.6
111.11718	5.0
113.09610	1.2
116.98613	2.1
117.03406	0.9
117.06995	1.8
119.04948	1.5
119.08569	7.2
121.06483	1.2
121.10139	15.0
123.04438	1.0
123.08062	2.6
123.11719	24.3
125.09597	3.2
127.03943	1.1
129.07040	0.9
131.08577	2.8
133.10175	4.0
134.99681	1.4
135.08054	1.0
135.11707	15.7
136.12022	0.8
137.06004	1.3
137.09607	1.3
137.13263	11.1
139.03862	1.0
139.11180	2.9
143.08507	1.2
145.02794	1.7
145.10162	1.6
147.04427	4.0
147.08026	1.3
147.11694	4.0
149.09650	1.5
149.13258	17.7
151.07536	1.2
151.11183	1.1
151.14821	7.4
153.12764	2.1
157.10052	0.7
159.11723	1.2
161.05986	0.7
161.09639	1.2
161.13290	3.2
163.07408	0.7
163.11220	0.7
163.14832	10.9
165.16428	0.8
167.14314	2.8
175.14818	2.1
177.05469	3.6
177.16383	5.4
179.17955	1.5
189.16467	1.4
191.17963	2.9
193.65099	0.9
203.17958	1.8
209.19031	1.8
217.19548	2.5
235.20465	1.0
241.06805	0.8
255.17409	0.8
273.18521	2.7
273.25803	6.7
290.65762	1.1
291.06161	1.3
291.09573	0.7
291.12936	1.7
291.16138	1.9
291.19641	8.7
291.26819	41.8
292.19308	0.9
292.27097	2.4
305.55844	0.8
310.05322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01862	9.4
55.05516	17.6
67.05508	15.6
69.03426	2.8
69.07062	8.2
69.29331	7.7
69.29752	17.5
69.78299	2.4
71.04981	3.4
79.05499	32.6
80.79620	2.4
81.03442	2.8
81.07061	42.4
83.08607	8.7
91.05486	22.2
93.07040	20.3
95.05004	11.5
95.08601	11.5
97.10161	8.2
105.03400	2.7
105.07035	17.1
107.04959	8.0
107.08585	12.5
109.06492	6.5
109.10169	3.8
111.94447	2.1
117.06998	13.0
119.04985	4.3
119.08591	28.9
121.06493	13.8
121.10152	8.1
123.08088	3.1
125.09616	7.7
129.07001	8.1
130.96747	2.0
131.08542	14.8
133.06491	6.4
133.10139	6.4
135.08054	6.2
143.08583	7.1
145.10077	15.0
147.08064	18.2
147.11658	3.4
147.46861	2.4
149.09619	5.9
157.10138	6.0
158.29214	2.5
159.08084	4.3
159.11761	3.5
161.09698	7.3
169.10136	2.9
171.11702	4.8
176.13663	2.2
189.11266	3.9
213.12756	2.5
223.13272	2.6
226.90605	2.5
249.14885	10.0
255.17413	3.2
273.18497	36.1
291.19565	100.0
292.19824	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	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02362	2.2
53.03945	4.4
55.01872	6.8
55.05513	24.7
56.82732	1.4
57.03431	3.1
57.07064	4.9
67.05504	42.7
69.03439	2.0
69.07069	20.6
69.35198	11.5
71.04991	1.9
78.62141	1.3
79.05497	82.7
81.03427	3.3
81.07059	60.8
83.04989	2.0
83.08625	12.0
85.06553	4.0
91.04903	1.3
91.05478	36.3
93.07046	100.0
95.04977	13.2
95.08045	2.7
95.08611	37.6
97.06538	4.7
97.10174	7.0
99.08086	2.5
105.03295	1.4
105.04529	1.6
105.07030	23.8
107.04939	9.4
107.08597	52.5
109.06523	9.0
109.10149	15.5
111.08094	2.2
115.05483	1.6
117.07018	13.8
119.08585	27.6
121.06528	8.7
121.09305	2.9
121.10146	44.3
123.08077	4.1
123.11726	5.3
125.09638	5.2
129.07014	5.5
131.08578	10.8
133.06517	3.0
133.10146	16.8
135.08076	6.0
135.11699	50.8
137.09673	2.6
137.13246	1.7
143.08513	6.7
143.10846	1.5
145.10118	10.5
147.08064	12.2
147.11710	13.5
149.09581	6.6
149.13257	30.1
157.06465	1.4
157.10117	4.0
159.11705	6.1
161.09607	6.5
161.13217	7.8
163.11197	7.1
163.14815	8.8
171.11674	4.3
173.13275	2.9
175.11227	3.1
175.14833	5.7
177.12764	1.7
183.11737	2.1
185.13278	6.5
188.92433	2.2
189.11163	2.1
189.12717	3.3
193.12250	3.0
199.14885	2.8
203.10654	1.6
203.14384	1.6
209.15396	2.8
213.16321	2.3
217.19553	1.9
223.13232	1.9
227.17914	1.8
231.17627	1.4
241.19548	6.0
244.95026	1.8
245.18974	2.5
249.14955	4.3
249.18515	4.0
255.17435	2.8
259.20645	10.4
273.18515	21.4
291.19571	64.1
291.23187	63.8
291.26297	2.5
292.20117	3.3
292.23550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03947	2.6
55.01870	7.7
55.05512	18.4
57.03429	2.2
67.05505	18.2
69.03413	4.1
69.07070	7.7
70.67523	2.8
71.04992	2.3
71.08614	1.1
79.05497	28.3
81.03403	2.6
81.07062	42.6
83.04980	3.5
83.08619	9.6
91.05480	17.6
93.07042	19.9
95.04966	18.7
95.08611	11.3
97.06558	1.4
97.10180	7.8
97.26318	1.1
99.52716	1.4
105.03408	1.7
105.07031	15.3
107.04951	9.3
107.08604	12.9
109.06517	9.7
109.10148	6.6
111.04444	2.3
111.08121	3.0
115.05464	1.8
117.07025	17.2
119.04939	2.4
119.08585	26.1
121.06517	13.3
121.10178	7.9
123.08091	8.6
125.09628	7.6
128.06218	2.1
129.07031	6.3
131.08575	11.3
133.06483	5.0
133.10133	6.4
135.08051	8.5
137.09586	3.0
143.08563	7.5
145.06392	1.3
145.10109	14.6
147.08041	17.0
147.11661	2.7
149.09599	5.4
157.10136	4.5
159.08037	2.7
159.11702	4.6
159.13054	1.5
161.09598	7.4
161.13283	1.6
163.11208	5.7
169.10150	1.2
171.11708	3.2
173.09569	2.6
175.11189	3.1
185.13280	2.5
189.11241	3.2
193.12144	1.6
195.11603	1.5
203.14264	1.4
213.12711	1.6
223.13229	5.9
227.18030	2.3
245.19020	2.3
249.14842	4.6
249.18581	2.5
255.17398	3.6
273.18472	30.2
291.19547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03936	3.1
55.01874	9.0
55.05515	18.8
67.05504	20.5
69.03415	3.9
69.07063	8.0
69.38458	9.9
71.04996	2.5
79.05065	2.1
79.05498	38.8
79.65908	1.0
81.03424	5.5
81.07062	40.4
83.04964	3.8
83.08610	8.1
85.06531	1.3
91.05489	23.2
93.07054	19.7
95.04974	15.6
95.08615	11.5
97.06515	2.0
97.10169	9.6
98.21564	2.2
103.05470	2.7
105.03390	3.6
105.07033	15.4
107.04954	9.4
107.08607	12.4
109.06561	5.5
109.10164	5.5
111.04456	1.5
111.08053	1.6
113.59509	1.3
115.05426	2.5
116.06217	1.2
117.07027	16.5
119.04942	2.7
119.08589	35.2
121.06514	15.8
121.10144	7.1
123.04427	1.1
123.08072	6.0
125.09628	8.9
128.06204	1.2
129.07014	8.4
130.07819	2.2
131.08592	11.6
132.05699	1.3
133.06493	5.0
133.10139	7.1
134.07306	1.1
135.08060	9.7
135.11731	2.9
137.09601	3.3
143.08548	8.9
145.06494	1.4
145.10133	16.1
146.56958	1.1
147.08067	18.6
147.11726	1.9
148.93933	1.2
149.09628	6.6
153.09140	1.3
157.10107	6.6
159.08089	2.6
159.11708	6.0
161.09674	6.5
163.11240	5.7
169.10182	1.5
171.11670	3.4
173.09645	1.4
175.11243	2.6
185.13290	3.0
189.11244	5.7
189.12776	2.1
193.12250	1.5
195.11763	1.6
199.10997	1.3
213.12675	2.6
223.13292	4.1
227.17964	3.6
231.13789	1.8
237.16454	1.5
245.19000	3.4
249.14842	10.1
255.17499	6.0
273.15503	1.2
273.18509	37.3
291.19565	100.0
292.19824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.24890	1.4
53.03947	3.2
55.01876	7.9
55.05269	1.2
55.05516	18.2
57.03431	3.9
65.03922	1.7
66.28261	1.4
66.34720	1.4
67.05511	20.3
69.03437	2.4
69.07076	12.9
70.06589	2.3
70.85230	2.6
70.85597	2.7
71.04999	3.1
73.25524	1.5
79.05066	2.1
79.05499	33.6
81.03427	7.0
81.03806	1.3
81.07064	49.2
83.04977	5.3
83.08614	8.6
85.06555	2.2
91.05484	21.9
93.07055	19.4
95.04977	21.6
95.08614	13.5
97.06526	5.3
97.10178	6.5
105.07031	17.1
107.04240	1.4
107.04948	8.4
107.08600	13.2
108.61766	1.4
109.06546	9.9
109.10146	7.7
111.08042	4.0
115.05454	1.4
117.07028	10.6
119.04935	2.0
119.08584	22.0
121.06506	12.7
121.10152	8.1
123.08073	13.0
125.09623	7.8
128.06180	2.3
129.07005	5.1
131.08568	12.3
133.06512	3.6
133.10124	4.8
135.08047	9.2
135.11717	3.4
137.09615	4.2
143.08543	5.5
145.10127	12.7
147.08063	17.1
147.11678	3.2
149.09633	9.1
149.10718	1.4
153.09096	2.4
157.10114	7.5
159.08139	2.3
159.11708	4.7
161.09641	5.5
163.11176	11.1
165.09114	3.7
168.85806	1.5
171.11679	3.6
173.09650	2.3
173.13269	1.9
175.11176	2.6
185.13200	1.9
189.11230	5.2
189.12840	1.9
193.12311	2.0
199.11150	2.0
204.19119	1.4
217.15950	1.8
221.11702	2.6
223.13326	5.9
224.64774	1.4
227.17999	2.1
229.23575	4.3
237.16364	1.8
245.19040	2.6
249.14944	7.0
255.17479	4.0
263.20099	1.7
273.18488	31.5
291.19556	100.0
291.27008	10.5
292.20065	2.6
310.73672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03934	3.0
55.01874	9.3
55.05513	19.6
65.03931	1.8
67.05184	1.9
67.05509	30.2
69.03412	4.6
69.07071	13.5
69.93435	5.2
69.93848	3.2
71.04980	3.9
76.78484	1.3
79.05493	31.3
81.03414	5.3
81.07066	46.8
83.04970	5.9
83.08630	7.4
85.06555	1.6
91.05484	25.5
93.07046	27.8
95.04985	16.0
95.08619	19.4
97.06543	3.3
97.10171	4.6
105.07037	24.0
107.04957	13.5
107.08605	17.3
109.06505	7.6
109.10152	11.3
111.08058	5.5
115.05428	2.5
117.07023	13.1
119.04932	4.3
119.08591	23.0
121.06528	17.2
121.10142	13.2
123.04435	2.4
123.08085	7.3
125.09633	4.5
128.06242	3.1
129.06990	6.5
130.07825	1.8
131.08586	14.6
133.06522	8.8
133.10144	12.3
135.08049	8.2
135.11708	4.1
137.09572	2.6
139.07564	3.7
143.08601	7.3
145.06375	2.1
145.10168	12.7
147.08047	15.8
147.11684	3.9
149.09605	8.0
151.11200	4.0
157.10132	4.1
159.08026	3.8
159.11674	5.7
161.09680	9.8
161.13251	3.4
163.11179	6.3
165.09116	2.6
169.10114	2.6
171.11713	5.9
173.09596	2.1
175.11163	4.4
177.09077	2.1
185.13286	3.8
189.11212	2.9
189.12811	2.5
199.11201	2.1
223.13344	3.3
227.18007	2.8
237.16336	2.8
245.19028	7.7
249.14803	2.4
249.18552	2.0
255.17543	7.0
263.20099	4.9
273.18515	45.0
283.78488	1.6
288.43585	1.8
291.19550	100.0
292.48328	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03932	2.2
54.00286	0.5
55.01872	4.1
55.05262	0.8
55.05515	12.9
55.39645	0.6
56.96571	3.2
57.03430	1.7
57.07057	0.8
59.04997	0.6
65.03951	1.0
67.05172	0.8
67.05511	11.3
69.03424	2.8
69.03761	0.7
69.07066	7.9
70.08402	2.0
70.08816	0.9
71.04988	1.3
79.05499	19.5
81.02982	0.7
81.03413	3.3
81.07060	22.6
83.05003	3.0
83.08617	6.6
85.06531	1.0
91.04968	1.0
91.05489	15.8
93.07047	15.5
95.04979	9.4
95.08612	8.4
97.06537	2.0
97.10191	5.3
98.10547	0.7
98.97588	2.8
99.08069	1.0
105.03436	0.8
105.07032	12.3
105.91091	0.7
107.04972	7.2
107.08607	8.5
109.06533	4.7
109.10154	3.6
111.04470	0.9
111.08073	2.7
113.82690	0.6
115.05482	1.1
116.06215	1.0
116.98625	1.9
117.07024	9.1
119.04942	2.0
119.08585	16.0
121.06517	7.4
121.10171	3.7
123.04480	0.7
123.08108	2.9
123.11721	0.8
125.09638	3.6
128.02277	0.7
128.06187	1.6
129.07001	4.0
130.07861	1.0
131.00200	1.3
131.07703	0.9
131.08572	9.3
133.06473	3.3
133.10136	5.7
134.07307	0.7
134.99615	1.2
135.08066	5.6
135.11707	2.4
137.09599	1.5
141.06911	0.6
143.08583	5.6
145.06563	1.1
145.10136	10.2
147.08063	10.2
147.11670	2.0
149.01184	3.2
149.09610	4.5
149.13330	0.7
151.07512	1.9
152.18431	0.6
155.08543	0.8
156.03600	1.0
157.10149	3.7
158.99754	1.1
159.08066	1.5
159.11708	3.6
161.09660	4.3
161.13226	1.0
162.10425	0.8
163.11209	2.7
165.06920	0.7
165.09142	1.0
167.02298	0.9
169.10167	1.5
171.11694	2.3
173.13223	0.9
175.11220	2.0
177.00705	0.9
177.09181	0.8
183.11774	0.9
185.13242	1.8
187.11093	0.7
189.11186	2.4
189.12755	1.6
193.12245	3.5
195.11620	1.2
196.96414	0.7
199.11290	0.9
199.14732	0.8
203.14331	0.8
207.13773	1.1
211.09850	2.4
220.10310	3.2
223.13319	2.4
227.17909	1.1
231.61252	1.5
237.16357	1.8
245.19035	2.1
249.14911	5.1
251.08670	1.5
255.17444	2.8
263.20099	1.3
273.18527	17.8
291.19559	100.0
292.12506	13.3
292.19812	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03941	3.8
55.01874	7.5
55.02399	1.1
55.05271	1.4
55.05511	19.3
57.03444	9.5
57.07077	1.6
59.05007	1.9
64.93495	1.2
65.03924	1.6
67.05508	26.7
69.03428	7.8
69.06722	1.4
69.07076	17.3
70.61425	1.8
70.61810	1.7
71.05001	6.5
79.05064	1.9
79.05501	33.8
81.03423	11.5
81.07062	46.6
83.04992	5.7
83.08630	7.5
85.06518	3.1
91.05488	30.2
93.07052	29.7
95.04984	11.5
95.08614	22.1
97.06546	8.1
97.10188	5.4
103.05499	1.2
105.06385	1.7
105.07039	23.9
107.04966	14.9
107.08604	20.0
109.05782	2.1
109.06529	41.0
109.10185	8.0
111.04456	1.4
111.08086	4.9
113.05985	1.2
115.05446	2.8
116.06236	1.4
116.98640	1.2
117.07033	13.3
119.04927	1.9
119.08592	21.5
121.06528	13.1
121.10155	7.7
123.08080	14.0
123.11710	2.8
125.05994	1.7
125.09652	3.8
127.07675	1.2
128.06219	1.7
129.07008	9.9
130.07837	1.5
131.08580	18.2
133.06494	6.6
133.10152	13.1
135.08069	25.7
135.11696	6.1
137.09636	4.8
139.07556	1.6
143.08621	6.1
145.10129	13.6
147.08080	11.8
147.11710	8.1
149.08533	1.8
149.09637	16.2
149.13223	1.3
151.07562	11.7
151.11188	2.9
155.08632	1.2
157.10110	7.1
159.08064	1.9
159.11707	7.6
161.09637	10.7
161.13284	2.7
163.11250	6.1
165.09117	3.0
169.10248	1.6
171.11707	5.2
173.09663	3.1
173.13313	2.1
175.11218	5.2
177.09158	2.0
177.12770	2.9
181.10110	1.6
181.12259	1.4
185.09421	1.1
185.13196	2.9
187.11316	1.6
189.12769	4.3
193.12274	2.7
195.11723	2.0
197.11725	1.9
199.14854	2.6
203.14281	2.1
205.12221	1.6
207.12126	1.2
207.13786	6.4
211.14775	1.3
213.16399	1.4
215.14243	1.1
217.15836	7.1
219.13797	2.0
221.15405	1.2
223.13377	2.7
227.17998	3.2
233.15428	2.8
235.16948	1.3
237.16437	1.7
245.19060	3.9
249.14937	3.9
255.17450	7.1
262.80960	1.1
263.20267	1.8
273.18515	35.3
291.19565	100.0
291.27011	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.37574	1.5
53.03943	3.1
55.01339	1.7
55.01866	9.5
55.05510	17.2
67.05502	21.5
69.03410	4.7
69.07059	9.9
70.20248	3.4
70.20628	7.9
71.04998	2.2
79.05062	3.5
79.05494	44.0
79.13197	1.6
81.03410	4.4
81.07056	40.8
83.05000	2.8
83.08611	10.8
91.05479	22.8
93.07050	20.8
95.04969	16.1
95.08610	14.7
97.10164	10.3
103.05489	2.5
105.03419	2.4
105.07038	17.1
107.04950	14.0
107.08601	13.6
109.06515	5.1
109.10152	2.9
114.45311	1.9
115.05441	4.0
116.06297	2.0
117.07034	17.7
119.04929	4.8
119.08582	35.3
121.06513	21.7
121.10149	6.9
123.08064	4.1
125.09603	9.8
128.41745	1.7
129.07016	6.7
130.07758	2.3
131.08597	11.7
133.06490	4.7
133.10138	4.4
135.08054	8.6
135.11798	1.8
137.09682	1.8
143.08560	9.4
145.10123	15.6
147.08051	18.2
149.09618	8.4
157.10127	6.4
159.07913	2.6
159.11723	5.1
161.09644	9.2
163.11237	5.0
171.11642	3.5
175.11147	2.5
185.13318	3.9
189.11211	7.0
189.12729	2.0
203.14142	2.6
212.69426	1.9
213.12852	1.9
214.57338	1.9
223.13240	5.1
227.17938	2.4
231.13721	2.0
249.14894	15.2
255.17435	4.8
273.18509	38.6
291.19559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03949	3.1
55.01879	10.2
55.05257	2.1
55.05513	22.0
57.07074	3.1
65.03954	1.7
67.05167	2.0
67.05513	20.6
67.05862	1.8
69.03433	4.7
69.07072	10.3
70.84795	3.4
71.05000	2.5
79.05502	40.3
81.03412	4.0
81.07064	48.8
83.04977	4.5
83.08620	11.3
85.06530	1.9
91.05490	23.1
93.07056	24.3
95.04972	19.1
95.08604	16.3
95.56851	1.5
97.06532	3.1
97.10172	8.6
103.05481	1.7
105.03393	2.1
105.04532	1.5
105.07039	18.1
107.04967	11.0
107.08593	14.6
109.06542	7.4
109.10155	5.5
111.04447	1.7
111.08074	2.2
112.47755	1.2
113.09659	1.5
115.05453	2.8
116.06240	1.6
117.07027	20.7
118.17560	1.6
119.04947	3.7
119.08599	38.4
121.06515	18.5
121.10181	8.9
123.08084	4.5
125.09639	8.3
127.03964	1.6
129.07013	9.5
130.07767	2.3
130.46883	1.4
131.08600	13.7
133.06476	8.3
133.10117	5.6
133.77737	1.4
135.08054	10.4
135.11736	3.4
137.09665	3.3
143.08565	6.8
145.06502	2.1
145.10144	16.5
147.08057	25.4
147.11685	3.1
149.09621	8.7
149.13283	2.0
153.09062	1.8
155.08615	1.6
157.01910	1.8
157.10155	6.6
157.29961	1.7
159.08075	3.0
159.11717	5.5
161.09628	9.3
161.13220	1.6
163.11191	6.3
163.14883	1.6
165.09138	1.7
171.11613	2.9
175.11197	2.3
184.18504	1.4
185.13409	3.0
187.11259	1.8
188.92488	2.2
189.11246	6.2
197.47113	1.2
199.11284	1.3
203.14336	2.5
213.12865	1.6
223.13303	5.9
227.17873	1.8
231.13823	1.6
237.16357	1.6
244.95210	2.2
245.19009	2.3
247.01494	1.5
249.14882	12.7
249.18690	1.8
255.17511	6.8
255.74654	1.6
273.18542	35.9
291.19580	100.0
291.22934	5.5
300.97556	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.53932	0.7
53.03945	1.8
55.01878	4.2
55.05270	1.3
55.05511	16.8
56.42685	0.8
56.96555	2.3
57.03430	2.1
59.05006	1.1
59.60711	0.8
67.05176	1.4
67.05509	17.0
69.03426	4.3
69.07072	9.1
69.33718	1.2
69.34124	7.8
71.04978	3.1
72.01919	0.8
79.05495	23.9
81.03403	3.0
81.07060	30.6
83.04976	5.3
83.08630	8.4
84.56364	0.8
85.02885	1.0
85.06525	1.8
91.04964	1.3
91.05486	20.0
93.03398	0.8
93.07050	18.6
95.04964	12.0
95.08613	10.8
97.06557	4.3
97.10179	6.5
105.03390	1.4
105.07036	14.2
107.04953	10.5
107.08594	11.3
109.06512	6.7
109.10165	4.6
111.04450	1.1
111.08072	2.6
117.07037	11.5
119.04971	2.3
119.08582	21.1
121.06511	11.5
121.10139	6.5
123.04423	1.8
123.08071	7.1
123.11687	1.6
125.09628	4.1
128.06219	1.3
129.07050	5.5
130.07791	1.7
131.08575	11.2
133.06497	4.3
133.10153	5.0
135.08054	11.2
135.11711	2.3
137.09613	3.3
143.08548	4.4
145.06482	1.1
145.10117	13.4
147.08054	12.4
147.11711	3.8
149.09653	6.3
151.07536	5.7
153.09070	1.3
155.08653	1.0
157.10168	4.9
159.11783	3.8
159.12825	1.0
161.09631	6.0
161.13274	1.0
162.10402	1.0
163.11209	5.4
165.09085	1.8
169.10201	0.9
171.11674	3.9
173.09599	1.7
173.13304	0.9
175.11203	2.5
185.09695	1.0
185.13231	2.2
189.11212	3.1
189.12730	1.9
193.12265	2.0
195.11713	1.1
199.11191	1.2
203.10765	1.0
203.14407	1.0
207.13777	2.2
211.14745	1.0
216.33578	0.9
217.15965	1.3
223.13269	2.4
227.17854	2.1
233.15140	0.9
237.16345	1.7
245.19096	2.9
245.64340	0.8
249.14822	5.9
255.17383	4.5
263.20020	1.1
273.18512	28.3
291.19559	100.0
292.12589	2.1
292.19714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02816	0.9
53.03933	3.6
55.01868	2.3
55.05513	78.6
56.24191	1.0
56.96557	2.2
57.03433	2.0
57.07058	4.1
57.07307	1.0
59.05001	1.2
66.09833	1.0
67.05511	15.7
69.03435	5.6
69.07071	14.4
70.06567	1.2
70.61801	3.5
71.04997	23.3
71.08630	1.9
73.02879	1.0
79.05491	16.2
81.03397	4.0
81.06577	1.7
81.07059	35.5
83.04968	2.6
83.08629	7.6
85.02901	2.2
85.06536	2.8
91.05486	11.8
93.07047	19.5
95.04986	6.9
95.08609	28.9
97.02887	1.6
97.06520	3.0
97.10159	4.3
98.97570	1.2
98.98494	1.1
99.08081	1.8
105.07038	13.8
107.04948	3.0
107.07952	1.6
107.08599	17.1
109.02847	2.4
109.06533	5.2
109.10151	14.4
111.08090	2.5
111.11704	2.7
114.99862	0.9
115.05454	1.4
116.07063	1.3
116.98593	1.5
117.07018	4.8
119.04957	1.4
119.08587	13.9
121.02859	6.7
121.06503	3.9
121.10145	11.2
123.04354	1.1
123.08053	4.5
123.11684	7.1
125.09631	3.0
127.03958	1.9
128.06268	1.1
128.98610	1.5
129.07004	1.7
131.08568	4.8
133.02919	1.5
133.06509	2.2
133.10152	6.5
135.08052	3.8
135.11679	7.3
137.09627	3.2
137.13264	3.2
139.03893	1.8
139.11154	1.1
143.08562	2.8
145.06558	2.5
145.10117	7.6
147.04405	3.5
147.08069	6.2
147.11668	5.0
149.02348	100.0
149.09587	4.1
149.13248	7.8
150.02785	1.3
151.07524	2.1
151.11160	1.1
151.14873	1.0
153.12749	1.6
157.10130	3.2
159.08040	1.8
159.11696	3.0
161.09641	4.6
161.13248	2.3
162.68033	1.1
163.11176	4.0
163.14833	3.4
165.09100	1.0
165.12839	1.3
165.84833	0.9
167.03441	2.2
171.11691	1.7
173.05984	2.1
173.09608	1.1
173.13364	1.0
175.07527	1.0
175.11153	1.5
175.14888	1.5
177.00815	1.4
179.10661	1.4
185.13268	1.2
189.11212	1.2
189.12801	1.5
189.16377	1.7
201.05339	1.2
203.07031	18.9
217.19540	1.4
219.01732	1.3
219.06514	6.6
237.16380	1.3
249.02766	1.5
255.17493	1.4
273.11642	1.4
273.18530	12.2
273.25604	4.9
291.09460	1.2
291.12579	14.8
291.16110	1.5
291.19559	35.8
291.23163	2.7
291.26672	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	291.1298
Annotation	N-(L-Arginino)succinate
Peak:m/z	Relative Intensity
56.96564	1.7
60.05365	0.9
60.05649	10.8
66.96013	0.8
70.06592	62.6
71.01333	2.3
71.05001	9.8
71.29984	2.0
72.08149	5.3
73.75511	0.7
74.02435	3.6
82.02151	0.7
84.08140	0.8
85.02407	0.6
88.03973	1.6
88.07613	3.4
89.02373	1.4
95.06094	6.2
97.07640	2.3
98.02411	1.8
98.06026	2.0
98.97582	1.0
110.02400	0.8
112.08732	12.0
113.07137	1.8
114.10303	1.3
115.08693	9.1
116.03446	3.2
116.07083	16.8
116.98595	0.8
130.09755	5.4
134.04457	4.3
140.07054	2.0
140.08179	1.3
142.08620	0.8
149.78760	0.8
150.05513	1.5
152.07095	1.1
157.10867	1.1
158.08099	1.3
158.09259	7.4
161.01251	0.8
164.08020	0.7
168.06584	2.6
175.11906	40.3
186.07620	4.0
188.09215	1.4
192.07619	0.8
195.07735	0.9
196.06055	2.7
210.08691	2.3
213.08722	2.1
214.07150	3.7
217.12990	2.0
228.09709	1.0
232.08186	9.6
238.08179	2.1
245.12387	2.8
249.10851	0.8
256.09305	2.9
273.11969	1.2
274.10358	1.8
291.10449	6.2
291.13019	100.0
292.13177	1.0
301.32217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0977
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
55.01863	2.0
55.05512	4.0
56.96567	2.9
67.05518	2.4
68.99798	1.2
69.03429	2.7
69.07061	1.3
69.24494	1.2
69.36873	3.5
69.37299	7.3
70.06593	6.8
71.12084	1.0
79.05508	2.4
81.03402	2.3
81.07059	4.2
82.06606	1.2
83.04981	2.9
83.08626	2.1
85.02917	2.6
85.06540	1.4
87.00821	1.2
88.03973	2.5
91.05478	2.4
93.07062	2.7
95.08617	2.8
97.06525	1.2
98.97614	2.2
100.11293	2.4
105.07032	2.2
107.08601	1.2
109.02904	1.5
109.06504	1.5
111.04449	2.7
114.10300	2.7
115.05461	3.5
116.07116	1.3
116.98606	2.3
117.05791	2.0
117.07022	1.8
118.06562	11.8
119.08599	3.2
121.10114	1.8
123.04446	4.1
127.03893	1.6
128.07100	1.7
129.07014	1.4
130.06534	100.0
130.30626	1.1
131.06941	1.4
132.08089	32.7
134.99721	2.3
137.09644	1.5
139.03917	4.4
141.11537	1.6
142.06505	9.5
143.07372	1.6
144.08113	5.8
146.06000	18.3
147.04448	2.7
147.08055	1.4
152.96338	1.2
156.08139	5.4
157.07582	6.0
158.06049	3.5
158.08414	5.0
159.09187	83.1
160.07605	7.8
163.38716	1.1
165.05527	1.2
167.06015	1.4
169.07628	2.7
170.06021	32.9
171.09224	1.7
172.07625	1.7
174.03951	1.4
175.11885	2.3
177.00778	1.3
181.07602	1.7
182.15443	2.0
183.09245	6.4
184.07576	18.7
185.07101	43.0
187.08707	4.9
188.07083	39.6
188.08789	1.8
189.05437	1.4
199.08733	2.2
199.18034	1.5
200.07066	8.9
201.10239	12.1
204.66400	1.7
209.07188	2.0
210.14995	2.8
218.66223	2.3
219.01808	1.4
227.08160	46.4
229.09747	2.1
231.07729	1.9
232.08269	1.3
245.09232	91.5
246.09467	2.0
255.07695	4.4
273.03946	1.4
273.08694	12.1
273.11505	1.8
273.18521	2.6
291.04919	1.5
291.09668	3.9
291.13080	7.9
291.19577	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1076
Annotation	Furaneol beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.56807	0.4
53.03938	0.6
55.01864	0.9
55.05520	1.0
56.96564	0.9
57.03439	5.8
60.05637	0.8
61.02921	1.3
61.65126	0.4
67.05508	1.0
69.03429	4.4
69.07068	0.5
70.06594	5.5
71.05000	1.4
71.51747	1.2
72.08146	1.4
73.02920	1.0
79.05497	0.5
81.03423	2.3
81.07070	0.9
83.04986	3.7
83.08630	0.5
85.02909	9.3
85.07664	2.8
86.08453	0.8
87.04464	1.1
91.03960	0.7
91.05499	1.0
93.07021	0.5
95.08624	0.7
97.02899	2.7
98.98489	0.5
99.04437	0.5
101.06030	7.2
105.07041	0.8
107.08608	0.6
109.02865	1.1
111.04433	2.6
111.08063	0.6
113.07115	0.6
114.10300	1.6
115.08709	1.0
116.07108	1.3
116.98604	0.7
117.06995	0.5
119.04946	0.8
119.08575	0.5
121.01694	1.1
121.10173	0.7
123.04421	4.4
123.08119	0.5
123.67596	0.4
127.03932	1.9
129.05482	100.0
130.09761	0.6
134.99669	0.5
139.01770	0.9
139.03900	6.1
143.00197	0.7
145.04984	1.4
147.04387	1.1
161.01169	1.0
161.06036	0.9
163.03954	0.7
165.05495	1.2
169.21445	0.4
169.72452	0.4
175.01831	0.5
175.11923	2.6
179.02246	0.6
213.01022	0.4
219.08020	1.1
232.08191	0.8
249.02869	0.6
249.06470	0.5
273.18509	0.8
291.03815	0.6
291.12885	10.7
291.15594	1.4
291.19644	1.5
308.00403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02366	0.5
52.81237	0.4
53.87781	0.4
55.01872	0.9
58.24887	0.4
65.03936	1.1
67.05505	1.5
68.99789	1.5
70.06573	0.5
70.71553	1.4
72.08185	0.6
73.91507	0.4
83.04980	1.0
85.02902	1.0
91.05473	1.7
93.03413	1.1
93.07055	0.4
95.04967	3.0
97.02895	0.8
98.21478	0.6
99.04444	0.4
111.04443	2.5
115.05481	0.9
119.04947	5.4
123.04433	63.3
124.04777	0.9
127.03945	1.1
133.06439	0.9
134.52011	0.4
135.04440	0.8
137.02393	0.9
139.03906	100.0
140.04227	2.2
143.04932	2.4
143.46165	0.4
147.04414	20.1
151.03896	2.5
153.05441	0.7
161.05983	7.2
163.03902	1.9
165.05484	15.3
165.06888	0.7
169.04941	1.3
177.05455	1.2
179.03355	0.4
179.07022	2.8
181.04988	0.8
185.66315	0.4
189.05472	1.7
197.57436	0.4
205.08665	0.5
207.06535	5.5
249.07791	1.0
261.26947	0.4
273.07547	1.8
291.08646	8.6
291.12405	0.5
291.13342	0.5
291.19281	0.6
303.20874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01868	1.6
57.03421	0.8
58.17460	0.5
65.03931	1.2
67.05489	1.6
68.99781	1.3
69.03419	1.4
69.07067	3.7
69.26451	5.9
81.03427	1.6
81.07065	0.7
83.04977	1.1
85.02905	6.4
91.05489	1.8
93.03382	0.7
93.07065	0.7
95.04971	3.4
95.08600	0.7
97.02884	1.5
98.21510	1.2
99.04456	0.7
99.95900	0.6
104.95842	0.6
105.07053	1.2
107.08585	0.7
109.02871	0.7
111.04453	2.5
111.08074	1.0
111.11723	2.0
115.05450	2.0
119.04934	5.0
123.04433	61.9
124.04735	1.0
127.03931	2.4
129.12744	0.9
133.06508	1.2
135.04442	0.9
137.02312	0.7
137.05957	1.2
139.03903	100.0
140.04240	2.1
143.04900	2.6
147.04407	19.7
151.03903	3.0
153.05553	0.6
153.70203	0.5
159.11809	0.6
161.05980	7.3
163.03899	1.6
163.07512	0.6
165.05482	15.0
169.04977	1.0
174.76602	0.5
177.05460	1.0
179.07031	2.7
181.05006	0.6
189.05461	1.5
205.08598	0.7
207.06572	6.0
209.19499	0.6
223.09746	0.6
231.06432	1.1
231.46323	0.5
249.07616	0.9
273.07635	1.0
288.08990	0.6
291.08673	7.8
291.12271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	Robinetinidol
Peak:m/z	Relative Intensity
51.02367	0.4
53.03941	0.6
55.01884	0.4
55.05503	0.9
56.96562	0.6
57.03429	0.3
65.18693	0.2
65.87641	0.3
67.01868	0.5
67.05512	1.5
68.24285	0.2
68.99799	0.3
69.03416	0.7
69.07054	1.0
70.06584	0.9
70.72587	0.8
71.04980	0.3
72.79871	0.2
77.03918	0.5
79.05491	0.8
81.03427	1.3
81.07063	2.1
83.08616	0.5
85.02893	0.6
91.05476	1.3
93.07031	0.9
95.04968	1.3
95.08606	1.1
98.97583	0.7
99.04449	0.3
102.93279	0.2
105.03384	1.3
105.07030	1.1
107.04967	0.4
107.08587	0.9
109.02878	0.8
109.06516	0.4
109.10159	0.9
111.00847	0.3
111.04458	0.8
116.98577	0.6
117.07037	0.4
118.06525	0.3
119.04954	1.2
119.08591	0.9
121.06473	0.3
121.10176	0.7
123.04433	100.0
123.11716	0.3
124.04792	1.7
127.03919	7.5
127.04800	0.5
131.08586	0.5
133.10129	0.5
134.99673	0.6
135.08138	0.5
135.11736	0.3
137.05974	1.2
137.09654	0.5
138.03142	0.6
138.09149	0.4
139.03903	7.6
139.11093	0.4
145.10130	0.7
147.04408	2.7
147.08009	0.4
147.11705	0.4
151.03923	1.6
153.05472	5.3
159.11638	0.3
159.19402	0.3
163.03943	0.4
165.05479	9.3
165.06882	0.5
165.09137	0.6
169.04974	8.1
175.03937	0.8
175.11877	0.4
176.14400	0.6
185.05978	0.3
185.62245	0.8
189.05452	0.3
192.04279	0.4
194.62701	0.4
196.62617	0.3
197.13045	0.4
200.12570	0.3
200.62660	1.3
202.15872	0.4
203.06920	0.5
207.06613	2.4
221.13878	0.3
231.06662	0.7
249.02722	0.3
266.64786	0.9
273.07666	0.7
273.11627	0.3
273.18607	0.7
290.65790	1.1
291.05188	0.5
291.08694	5.5
291.12796	1.7
291.16360	1.9
291.19739	0.9
291.22894	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1751
Annotation	Mesembrine
Peak:m/z	Relative Intensity
54.87273	0.4
55.05511	1.6
56.05037	1.6
56.96566	2.4
57.07072	1.8
58.06600	1.0
65.03955	1.2
67.05506	8.8
69.07067	3.1
70.06607	0.4
71.08638	0.9
71.61082	0.5
74.06078	2.0
79.05496	2.3
81.07060	2.4
82.06593	3.1
83.04994	0.9
83.08616	0.6
85.10225	0.4
86.06068	0.4
88.07639	7.1
91.05496	1.0
93.03426	0.9
93.07053	2.6
95.08619	1.6
97.06546	2.1
105.07063	0.5
107.08616	2.9
109.10166	1.1
110.06052	31.4
111.04449	9.4
117.07011	0.6
117.88582	0.4
118.08664	1.2
119.08627	0.6
121.06518	0.4
122.08170	1.3
123.04454	1.5
127.03949	1.2
128.04234	0.6
133.10129	0.6
135.11708	3.4
137.05957	2.0
138.05510	100.0
139.05838	0.6
145.06558	0.5
147.08070	0.5
153.12743	0.8
163.07568	1.4
168.13756	0.5
175.07547	0.5
178.09489	0.5
181.75479	0.4
217.09814	0.3
226.11159	6.2
226.13295	0.5
242.24814	8.2
244.09926	0.7
244.12212	4.6
249.12889	0.6
267.13831	1.3
272.17398	0.4
273.15027	0.4
273.18515	0.7
290.17633	6.8
290.26898	23.2
291.19485	1.2
304.29965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03933	3.2
55.01866	2.9
55.05298	1.6
55.05513	17.3
56.96557	7.2
57.03445	2.7
57.07063	5.0
63.33281	1.5
64.63305	1.4
65.03941	1.8
67.05505	34.6
68.05835	1.5
69.03419	2.6
69.06725	2.1
69.07070	25.9
69.43220	14.8
69.43523	1.9
71.04997	3.8
71.08635	1.7
71.34302	1.6
73.02888	1.7
79.05495	26.7
81.03419	2.4
81.07058	100.0
81.65506	1.5
82.07371	3.5
83.05001	2.4
83.08620	10.9
85.02902	5.2
85.06536	4.7
87.04469	2.0
88.07631	1.9
91.05492	11.3
93.06471	3.3
93.07044	54.0
94.07357	4.3
95.04947	4.5
95.08612	78.9
96.08938	7.0
97.06512	4.7
97.10166	6.8
98.97587	11.8
99.08042	2.5
105.07035	21.4
107.08601	48.5
108.08914	5.5
109.02880	3.9
109.06503	3.2
109.10161	52.9
110.10435	2.0
111.08067	2.3
111.11736	2.3
116.98605	5.9
119.08576	14.0
121.02808	1.7
121.09321	2.7
121.10152	43.8
122.10461	7.0
123.08026	2.5
123.11726	15.2
125.09608	2.1
127.03928	31.8
128.98596	3.0
131.08508	2.8
133.10115	10.2
134.99673	2.4
135.04413	3.0
135.11691	31.1
136.12061	3.8
137.13242	5.0
139.11183	3.6
143.00111	1.7
145.10144	8.9
146.99675	2.4
147.11667	11.8
149.13260	38.0
150.13686	1.7
151.03902	1.9
151.11165	2.4
159.11719	7.9
161.01216	1.8
161.13286	7.3
162.06779	1.6
163.14859	9.8
170.99559	2.0
173.13304	3.9
175.14816	5.4
177.00696	3.4
177.16365	9.3
178.16721	6.2
189.16388	6.2
190.14291	1.7
191.17940	4.2
201.00725	1.7
201.16406	3.2
215.17928	2.6
219.01747	10.9
237.02803	21.7
238.03206	7.4
245.22614	2.6
260.04382	1.5
260.92047	1.5
261.02841	7.0
262.03085	2.2
267.12408	2.1
271.24207	12.7
279.03946	17.9
279.61807	3.8
280.04276	9.1
280.14639	1.6
281.04196	3.2
288.62299	10.0
289.06409	4.5
289.14978	3.9
289.18024	3.8
289.21844	3.4
289.25266	57.7
290.25702	3.1
297.05057	1.9
302.05634	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03944	2.5
53.32010	1.0
55.05515	19.2
56.96568	2.4
57.03433	2.3
57.07063	4.1
59.05013	1.2
65.03947	1.4
67.05510	34.3
69.03445	1.7
69.06725	1.9
69.07076	30.9
69.94305	4.6
71.04995	2.3
71.08630	1.6
79.05498	24.4
81.03413	1.8
81.07063	100.0
82.07411	1.6
83.04996	1.7
83.08633	10.4
85.02920	2.5
85.06544	2.8
91.05481	14.5
93.07053	61.0
95.04977	6.2
95.08615	65.0
97.06526	4.5
97.10186	7.7
98.97594	5.7
99.08088	2.7
105.04525	1.0
105.07036	25.3
107.08606	58.5
108.08897	1.1
109.02863	1.4
109.06507	2.8
109.10164	44.6
111.04421	1.4
111.08091	3.6
111.11755	5.3
113.09630	1.5
116.98609	3.3
117.06995	2.2
119.08591	19.7
121.10154	43.8
121.11040	2.4
122.10466	1.6
123.04427	4.2
123.08128	2.0
123.11716	19.1
125.09629	2.1
125.53976	1.1
127.03068	1.7
127.03924	17.1
131.08566	4.3
131.96649	1.3
133.10149	15.8
133.15518	1.2
134.99658	1.9
135.04446	2.4
135.11705	35.3
137.13263	5.3
139.11176	5.2
145.10118	6.9
147.04442	2.1
147.11696	12.0
149.13268	66.4
150.13617	2.1
151.11153	2.5
158.99687	1.2
159.11700	9.3
161.13272	13.4
163.04016	1.3
163.07616	2.0
163.14848	14.3
165.12727	2.2
167.69225	1.1
173.13277	4.9
175.14861	9.9
177.00780	2.4
177.16437	6.5
179.14302	2.5
187.14850	4.0
189.16330	5.8
191.18016	4.1
193.15889	2.4
199.07603	1.6
201.16454	3.4
203.17999	2.5
215.17978	4.4
217.19414	1.6
229.19620	1.3
231.21176	1.3
233.19032	1.7
235.57753	1.0
245.22765	2.1
271.17175	1.6
271.24210	16.8
289.06293	1.6
289.10977	1.9
289.14606	1.7
289.18192	2.5
289.25284	86.5
290.25555	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	289.2528
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03944	1.9
55.05511	13.0
56.96558	0.8
57.03453	0.9
57.07083	3.5
57.37953	0.7
65.03947	1.9
67.05508	27.6
69.03437	1.7
69.07072	20.3
70.15286	0.6
70.85558	1.8
71.04993	2.1
71.08627	0.8
77.03945	0.6
77.33412	0.5
79.05498	19.3
79.05958	1.0
81.03442	0.7
81.07059	100.0
82.07394	1.3
83.04982	1.0
83.08623	7.2
83.93229	0.6
85.02902	1.3
85.06546	2.4
85.32758	0.6
91.05482	11.1
93.07047	44.8
95.04974	4.3
95.08611	69.1
96.08929	0.7
97.02916	1.0
97.06535	3.8
97.10175	6.1
98.97568	0.6
99.08103	1.0
105.07033	15.4
107.08600	42.8
109.02880	0.7
109.06531	3.2
109.10163	43.4
111.08121	1.6
111.11710	3.1
117.07023	2.0
118.21746	0.6
119.07793	1.0
119.08591	15.5
121.06561	0.8
121.10152	29.3
122.10419	0.9
123.08055	1.0
123.10818	1.0
123.11712	17.3
125.09628	2.5
127.03928	6.1
127.11225	1.7
131.08549	2.7
132.95782	0.9
133.10135	9.1
135.04453	1.2
135.11697	24.9
137.09625	1.9
137.13284	6.6
139.11192	2.3
145.10132	4.8
147.11691	10.6
149.13264	43.8
151.14832	1.0
153.01819	1.4
159.11705	6.1
161.13280	9.5
163.11224	0.7
163.14828	9.6
165.12802	1.4
173.13248	3.5
174.96886	1.0
175.14839	7.7
177.16396	5.4
179.14310	1.4
179.17946	0.8
186.96864	0.7
187.14833	2.5
189.16386	4.7
191.17978	3.2
193.15892	0.9
198.88414	0.7
201.16383	2.3
203.17996	1.7
205.23581	0.7
215.17999	2.8
217.19539	1.1
219.17593	0.6
229.19434	1.3
231.21065	0.9
233.18977	1.2
243.21214	0.8
245.22554	0.8
268.16635	0.6
271.14410	0.7
271.24252	12.3
289.06976	1.5
289.10342	0.9
289.15381	1.9
289.18457	1.3
289.25259	59.2
290.25665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.18
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
50.59784	0.9
53.03939	1.1
54.54165	0.9
55.01875	8.5
55.05515	47.7
57.03436	3.2
57.07045	1.1
67.05176	1.4
67.05510	18.9
69.03432	2.4
69.07075	8.3
71.24976	2.2
79.05070	1.3
79.05500	24.3
81.07060	16.6
83.04967	3.3
83.08622	14.8
85.02890	1.6
85.06588	1.0
91.05479	15.8
93.07050	12.0
95.04987	1.8
95.08624	4.8
97.10172	23.6
105.07040	7.5
106.08666	1.6
107.04945	2.0
107.07868	1.4
107.08594	20.8
109.06466	1.8
109.10178	6.5
111.08049	1.7
115.05451	14.9
117.07023	73.7
119.08593	12.0
120.22312	1.0
121.06537	1.1
121.10119	1.2
123.08099	1.7
125.09630	14.9
127.03918	15.5
128.06219	2.2
129.06964	5.1
131.08582	8.9
133.10149	2.2
135.04384	1.8
135.08054	12.5
142.07802	1.9
143.08546	13.2
145.06490	75.4
145.10097	3.5
147.08055	2.8
153.09117	4.1
155.08606	5.0
157.10126	10.7
159.08057	4.4
159.11737	1.9
161.09610	3.3
163.07530	4.0
163.11099	1.5
169.10132	5.1
173.09622	2.9
183.11702	3.6
185.13234	1.5
189.11218	8.4
191.10811	1.2
193.10141	1.1
197.13174	2.0
225.16354	9.0
235.14870	3.3
243.17435	7.2
253.15889	9.6
261.18567	1.3
265.59079	1.0
271.16946	100.0
272.17239	4.1
285.10025	1.3
289.17996	29.5
289.21429	2.0
289.25092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03947	1.8
55.01864	1.1
55.05271	1.1
55.05513	13.7
57.03425	1.4
57.07061	3.7
65.03913	1.0
67.05504	29.0
69.03415	1.4
69.06722	1.6
69.07068	22.0
70.56664	3.0
71.04980	2.9
71.08646	1.0
71.94041	0.9
72.83281	0.9
79.05067	1.2
79.05495	21.3
81.03408	1.0
81.07060	100.0
83.04953	1.6
83.08627	8.5
85.02896	2.1
85.06537	2.8
91.05477	12.0
93.07046	48.9
95.04989	5.8
95.08607	68.7
96.08900	0.9
97.06522	4.6
97.10179	5.4
98.97580	1.4
99.08071	1.8
105.07028	18.5
107.08597	48.0
109.02829	0.9
109.06497	3.1
109.10157	45.7
110.10541	1.0
111.08074	2.7
111.11715	2.8
117.06973	1.6
119.08582	15.2
121.10146	37.1
123.08092	2.1
123.11713	19.7
125.09620	2.4
127.03925	8.3
131.08598	5.7
133.10139	10.4
135.04431	1.8
135.11699	26.9
137.09662	2.3
137.13275	6.3
139.11241	1.1
145.10129	4.3
147.11696	11.4
148.09618	0.9
149.13258	43.6
151.11217	1.0
151.14828	1.1
153.01823	3.7
159.11734	6.5
161.13280	10.6
163.03900	2.6
163.14818	11.5
165.12746	1.4
173.13252	3.4
173.97047	0.9
174.96886	1.3
175.14862	6.1
177.16444	4.1
179.14305	1.5
187.14815	3.3
189.16391	4.8
191.17886	4.4
193.15848	1.3
201.16376	2.5
203.17990	1.7
207.17534	1.2
215.17923	4.7
229.19365	1.3
233.19110	1.5
234.98860	0.9
245.22659	1.1
271.14261	1.6
271.24194	14.3
289.07019	3.3
289.15491	5.7
289.25262	63.7
290.10626	1.0
290.25595	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82328	1.0
53.03936	1.2
55.01877	3.4
55.05516	0.9
56.96540	2.4
60.05655	10.1
64.11819	0.8
67.05525	0.8
68.04996	0.9
69.03430	1.3
69.07067	1.2
70.06594	65.3
70.74471	2.6
71.04991	10.0
72.08137	2.7
73.02915	3.0
79.05505	1.1
81.03416	2.4
81.07037	3.0
83.35138	0.9
84.04517	1.1
84.08164	2.2
85.02893	3.0
88.03997	7.8
92.42557	0.8
93.07052	1.8
95.06097	6.8
97.07647	2.6
98.06037	3.8
98.97591	4.1
99.04459	1.5
100.03972	3.8
101.02373	8.3
107.04969	1.1
109.02906	1.1
111.10181	0.9
112.08737	9.4
113.06008	5.6
114.05567	1.0
114.10289	0.9
115.08679	5.4
116.98618	2.8
118.04965	1.1
121.10138	2.3
124.07581	3.2
127.03925	13.5
127.08719	2.8
128.07063	2.0
128.98643	1.0
130.08652	15.3
132.04402	1.2
134.99641	1.3
136.69304	0.9
137.02313	1.9
139.03889	1.2
139.11165	1.4
140.08217	1.4
152.07076	21.9
155.08170	1.7
157.12283	1.2
163.02643	1.0
169.09764	0.8
170.08125	2.5
172.10803	10.5
173.09206	1.7
175.11940	1.9
177.00787	1.8
177.04080	0.9
180.06615	1.4
189.13478	27.9
190.10429	1.0
190.13808	0.9
192.16852	1.0
194.09290	2.0
195.07648	1.0
197.09213	3.0
211.10802	1.4
212.07266	1.7
212.09169	16.1
219.01793	1.0
224.84068	1.0
226.11850	12.7
229.11940	3.5
230.10242	11.6
237.02835	3.2
251.34972	1.0
254.11391	12.0
271.09372	2.5
272.12564	4.3
289.09207	12.0
289.15085	100.0
289.17917	3.4
290.12463	1.7
290.15402	4.4
311.53244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
51.13805	0.7
53.03950	3.8
53.12940	0.8
55.01880	4.5
55.05513	6.6
57.03440	1.0
59.12951	0.8
65.03922	1.2
67.05508	12.8
68.65307	0.7
69.03439	1.8
69.07072	4.8
71.04994	1.0
71.59933	0.9
79.05066	1.0
79.05499	17.9
81.03418	7.5
81.07063	43.5
83.05002	5.1
83.08620	2.9
85.02885	1.1
85.06551	1.8
86.09718	1.3
91.01482	0.8
91.05484	14.7
93.07047	8.8
95.04959	3.7
95.08612	9.3
97.02894	2.4
97.06523	2.3
104.10780	1.0
105.07025	12.2
107.04958	7.6
107.08605	4.7
109.02866	1.7
109.06532	19.2
109.10178	2.3
111.04425	1.1
115.05438	1.8
117.07036	7.2
119.04968	2.7
119.08578	6.7
121.06495	6.2
121.10167	2.5
123.04423	1.4
123.08075	1.8
127.03929	17.2
128.04285	0.8
128.06212	2.1
129.07022	2.3
130.07787	1.2
131.04933	1.2
131.08586	6.8
133.06491	7.0
133.10155	5.6
135.08018	2.9
135.11693	1.3
137.09555	1.1
141.06976	1.4
142.07793	0.9
143.08554	3.0
145.06511	4.0
145.10170	3.7
146.07211	0.9
147.08084	5.6
149.09634	1.7
151.07582	1.2
151.11209	1.8
155.08557	2.5
157.06494	1.1
157.10197	1.7
159.08075	10.5
159.11703	1.5
161.09633	5.3
163.07559	4.0
163.11182	8.3
166.02533	0.8
169.10118	1.2
171.08066	2.7
171.11748	0.9
173.09631	11.3
175.11147	1.4
177.09137	1.5
177.12802	1.3
178.34546	0.8
179.09306	0.8
179.10616	4.8
183.11708	2.0
184.07347	1.7
185.09668	1.6
187.11235	1.6
191.10689	1.5
197.09691	1.0
197.90086	0.7
215.17931	0.9
243.17456	4.2
253.15877	2.6
261.18423	1.5
271.16949	100.0
272.17221	4.5
289.08679	1.4
289.14990	1.4
289.18005	19.1
289.21597	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
51.35474	0.4
51.61261	0.4
52.68121	0.4
53.03935	0.9
55.01863	0.9
55.05507	0.9
56.05036	0.5
56.96575	0.9
57.03428	1.3
57.07064	1.2
61.02925	1.2
67.05484	1.5
69.03434	2.2
69.07066	0.7
70.02359	2.3
70.06583	1.6
71.01340	0.6
71.04990	2.6
73.02885	0.6
74.06084	1.0
79.05518	2.7
79.59721	0.4
81.03417	1.8
81.07052	2.2
83.04985	0.4
84.04511	1.5
84.08138	2.2
84.27365	0.4
84.31218	0.5
85.02905	5.1
85.06538	1.3
86.09675	0.5
87.04459	0.5
87.73140	0.5
91.03931	0.7
91.05479	1.3
93.07039	4.4
95.04945	0.6
95.08590	1.2
96.04465	0.6
97.02892	2.2
97.06512	1.4
98.97581	1.6
99.04456	1.4
105.07009	0.7
107.04989	0.5
107.08569	1.1
109.02887	1.9
109.06499	0.9
111.04408	0.8
114.05518	1.9
116.07095	0.5
116.98611	1.6
121.06490	0.4
121.10154	6.4
123.04436	1.3
123.11668	0.6
127.03917	100.0
127.07532	1.1
128.04239	1.2
130.04997	0.5
131.08589	0.8
132.04459	1.3
134.99661	1.7
135.04404	0.7
137.02306	2.4
137.05951	0.7
139.02814	0.6
139.03893	8.1
139.11188	3.7
145.04994	0.7
149.09619	1.2
151.03889	1.1
157.06528	1.0
157.12242	3.3
158.04401	0.5
159.05310	1.5
160.06058	1.9
163.03935	0.5
167.10698	1.3
171.04431	0.5
172.90948	0.5
177.00710	1.1
185.11781	1.0
201.05469	0.6
229.04955	1.0
243.07777	0.6
243.96819	0.7
244.11836	2.0
257.04584	0.7
259.05881	0.6
266.98218	0.6
274.04752	0.8
289.06982	4.4
289.12283	3.9
289.17856	1.5
289.21429	1.0
289.25174	0.4
289.60223	0.5
290.12366	5.5
304.09738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
51.50978	0.9
59.87568	1.0
65.03953	1.1
66.67721	0.9
67.01875	2.1
68.99785	3.4
69.03419	1.3
69.07059	1.1
70.06595	1.5
70.52002	1.7
70.52399	2.5
71.04975	1.2
79.05492	1.5
81.03413	2.4
81.07055	1.3
83.05011	1.2
85.02914	1.6
85.91183	0.9
89.03868	0.9
91.05505	4.6
93.25206	0.8
94.75608	0.8
95.04949	1.4
97.02926	2.0
107.04958	38.9
107.08582	1.0
109.02821	1.4
111.00819	1.1
111.04436	2.9
114.10279	2.3
116.98603	1.5
117.03365	2.3
119.04950	3.4
121.02872	8.6
123.04435	3.1
127.03921	13.2
131.04948	1.2
135.04420	7.7
137.06009	2.1
139.03935	4.4
141.06966	2.4
145.02849	2.3
145.06470	1.6
147.04402	3.4
147.08131	1.3
149.02350	66.9
150.02867	1.3
153.01833	62.9
157.06441	1.0
159.08018	1.1
163.03923	10.2
167.03380	5.1
169.06528	6.2
171.02863	4.5
173.06078	1.2
179.03398	1.6
187.03972	1.6
187.07533	2.1
195.02911	3.6
197.06044	7.2
200.04669	1.1
201.05562	1.3
215.07036	73.9
216.07358	1.0
225.05461	1.6
229.04903	1.5
233.04544	1.2
243.06541	100.0
244.06894	1.7
253.04991	1.4
261.07336	1.0
271.06024	36.7
289.07080	22.7
289.10831	1.7
289.11414	1.5
289.15961	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	289.0707
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
55.01859	2.2
55.05492	1.6
56.96550	4.0
57.07086	2.1
57.25428	1.7
60.04514	1.9
61.02898	2.1
65.03925	2.5
67.01865	5.1
67.05505	3.3
68.99767	8.1
69.03420	4.0
69.07065	2.6
70.06590	3.7
71.03944	3.8
71.04294	2.1
71.04965	1.9
73.02911	2.6
74.06077	4.7
75.37852	1.5
79.05486	3.4
81.03404	2.1
81.07047	2.7
83.04979	1.5
83.08601	1.8
84.04488	2.0
85.02879	5.3
87.05579	2.1
87.74773	1.7
91.05459	4.8
93.07023	3.6
95.04967	4.7
95.08639	1.7
97.02895	5.5
98.06065	1.7
98.97563	2.3
103.86866	1.7
105.07010	2.1
107.04955	75.4
107.08582	2.2
109.02862	3.4
109.10156	3.8
111.04440	7.2
116.98562	2.2
119.08553	2.5
121.02878	9.8
121.10101	2.5
122.06039	2.0
123.04419	17.0
127.03918	58.7
129.07056	1.9
131.04901	2.0
131.08604	2.1
134.99692	2.6
135.04422	13.6
137.05983	2.5
137.09593	1.9
139.03906	10.3
139.11191	1.8
140.07086	3.0
141.06912	3.8
142.07489	1.7
145.02919	2.0
145.04855	2.0
147.04436	2.8
147.07988	2.5
148.07564	4.1
149.02345	55.7
151.03886	3.5
153.01831	100.0
155.04866	3.7
157.06467	1.6
157.10094	1.8
159.07980	2.4
161.05936	3.3
163.03900	7.6
167.03403	13.4
169.06479	3.0
171.02884	31.6
173.05992	5.5
183.04440	2.9
184.05212	2.3
189.05495	5.2
195.02910	8.5
197.05954	5.7
201.05472	7.1
205.04974	1.9
211.03905	4.4
211.08733	2.5
215.07027	53.3
225.05525	2.1
226.12292	2.3
227.07066	3.3
229.04987	7.5
242.05840	2.1
243.06514	56.0
244.03723	2.5
257.04468	39.4
259.06097	1.6
260.73221	1.9
271.05988	24.8
275.05472	3.8
289.03726	2.9
289.07071	28.3
289.11349	7.0
289.15286	5.6
289.21329	2.7
308.39645	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
52.25345	0.8
53.03942	1.8
55.01870	1.5
55.05508	1.1
56.96561	2.1
65.03920	1.4
66.53175	0.9
67.01855	4.0
67.05476	2.4
67.98557	0.9
68.99773	3.2
69.03419	3.3
69.07063	2.5
70.06578	1.6
70.07397	1.0
70.83938	3.0
71.04955	1.6
77.08201	1.0
79.05471	3.0
81.03403	2.5
81.07044	3.3
83.62177	0.8
84.04470	1.0
85.02882	3.4
85.06581	1.0
86.09698	1.3
89.03922	4.0
91.05472	2.6
93.07033	1.4
93.61409	1.2
95.04961	2.2
97.02888	5.8
99.40072	0.9
105.07037	2.0
107.04935	3.5
107.08517	1.1
109.02863	1.9
109.06514	2.2
109.10152	1.0
111.00820	2.4
111.04440	4.2
117.03372	6.0
119.08570	1.7
121.02840	2.5
121.06471	1.5
123.04446	8.8
123.11719	0.9
124.07555	1.1
127.03925	21.7
130.30769	0.8
131.04890	1.7
133.10115	1.6
134.99651	1.0
135.04434	21.4
135.08057	1.4
137.02361	1.3
137.05983	2.7
139.03893	9.1
140.07092	1.8
142.07616	1.2
145.02855	9.3
145.10068	1.1
148.07518	1.0
149.02357	2.2
149.05960	2.1
151.03874	3.2
153.01831	99.9
159.04420	2.1
163.03911	67.5
165.05486	1.2
169.06512	1.9
171.02930	9.7
171.04329	1.2
175.14775	0.9
177.05492	1.2
179.03441	5.5
187.03979	2.6
197.05992	2.1
198.12738	1.2
201.05368	1.5
204.51738	1.1
205.04904	2.8
215.07018	1.2
225.05417	2.0
226.12276	1.7
229.04935	3.4
229.08592	1.4
233.04411	2.9
243.06474	3.0
261.03842	2.4
271.05981	4.4
272.12234	2.2
289.03534	8.6
289.07053	100.0
289.10535	3.5
289.15228	4.2
289.18103	3.9
289.21164	1.7
290.03983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
56.05038	7.0
57.03438	1.9
64.35435	0.5
66.45480	0.6
69.03441	1.0
70.06593	3.8
71.04995	0.7
71.23346	1.0
73.02895	0.8
74.06081	100.0
74.27204	0.5
75.06416	1.2
81.03419	6.6
83.04952	0.5
84.04516	4.0
85.02911	1.5
86.06068	1.6
93.07058	0.6
97.02910	2.5
98.06055	10.5
99.04453	0.7
102.05546	4.3
103.09458	0.5
103.63923	0.5
109.02883	27.6
116.07094	45.9
120.06584	13.3
120.07434	0.9
123.04511	1.0
124.07586	1.0
127.03929	3.9
139.03909	4.4
144.06560	37.7
145.04979	1.0
145.06926	0.6
150.44254	0.5
162.07635	3.1
182.08136	1.1
200.09163	0.6
210.07806	0.7
226.69180	0.6
228.08646	4.5
240.08742	2.4
246.09631	3.1
252.08734	1.0
270.09760	9.6
288.05975	0.7
288.10663	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	287.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
57.03434	2.7
58.99580	3.0
69.03414	1.4
69.07057	4.4
70.75232	3.8
77.75841	1.2
79.05507	5.9
81.03418	1.5
81.07055	4.9
89.65608	1.0
91.05478	3.8
95.04963	2.6
95.90318	1.1
103.05479	6.6
105.07027	6.1
107.04960	51.2
109.06524	1.6
114.09164	2.3
115.05461	3.2
116.01693	5.0
117.07021	1.8
120.05745	1.9
121.06535	2.5
123.04447	3.7
124.05195	1.4
125.06036	1.7
130.27110	1.3
132.05705	1.1
133.06491	2.3
135.08054	15.3
137.05972	2.2
140.07077	5.3
144.01131	2.6
148.07559	2.0
150.06674	1.6
152.04639	1.8
162.02258	5.8
163.07556	36.3
167.07056	100.0
180.07915	2.8
181.08580	1.3
193.08629	3.6
195.10170	32.1
211.09691	4.8
213.11234	46.4
246.39624	1.4
255.10185	1.7
287.02759	1.8
287.05496	9.8
287.10318	2.8
287.14194	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2118
Annotation	Des-N-methyl-fastigiatine
Peak:m/z	Relative Intensity
55.05505	1.7
57.07073	1.6
67.05499	1.0
68.05029	3.6
69.07065	1.8
70.06590	1.3
70.80044	2.4
79.05486	2.5
81.07034	2.0
82.06567	1.2
91.05440	1.2
93.07022	3.3
94.06564	1.0
95.04936	1.0
95.08594	2.4
95.24780	0.8
96.04481	2.6
97.05273	7.8
98.06056	100.0
105.07034	1.2
107.08588	2.6
109.10166	1.2
119.06030	0.8
119.08561	2.2
121.10136	2.7
131.08549	2.1
133.10141	1.1
134.09634	0.8
135.87509	0.8
146.08408	1.5
148.11195	2.5
159.09123	4.5
161.10753	1.7
162.12886	1.4
163.14760	1.9
188.13089	2.1
189.13838	1.5
190.16002	1.9
204.17354	0.7
217.13435	0.9
218.19046	1.7
230.24811	0.8
231.18584	5.7
245.20201	1.5
259.21741	1.2
260.20123	8.6
269.22650	1.3
287.05542	8.5
287.21170	73.2
287.31366	4.1
288.21606	1.1
288.25406	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80586	0.7
52.22878	0.8
55.05502	1.3
56.78952	0.7
57.03407	1.1
58.79044	0.6
66.36462	0.8
67.05493	3.3
68.99777	1.0
69.03418	1.3
69.07071	71.5
70.06589	1.1
71.04990	0.7
71.57350	1.0
74.06055	0.7
79.05477	2.4
80.35429	0.7
81.03416	1.3
81.07073	3.6
83.05014	1.0
83.48308	0.9
84.04504	1.8
91.05491	3.4
93.07024	2.1
94.06587	4.4
95.04967	2.6
95.08625	1.1
97.02888	0.7
97.06542	2.6
97.10179	0.9
99.89412	0.7
101.06036	0.9
102.03899	0.7
103.05483	1.0
105.07016	1.8
107.04944	2.2
107.07359	0.8
107.08588	1.0
109.02904	1.3
109.06497	1.4
109.10157	1.9
110.06042	0.9
112.07634	1.4
116.01656	2.0
116.04948	1.0
116.98656	0.7
118.06552	12.1
119.07306	2.7
119.08559	1.3
120.08114	5.2
121.06491	1.2
122.06043	5.5
123.04445	1.4
124.03931	1.9
124.07592	2.9
125.04337	1.4
125.06007	1.1
129.06998	1.7
130.06468	1.1
131.08594	1.2
132.08095	1.3
133.10143	0.9
134.06047	0.9
135.04573	0.9
136.07596	1.1
137.06038	1.2
140.07069	100.0
141.07411	1.5
143.07301	0.8
144.01245	1.0
144.08096	2.7
145.10065	1.0
146.06030	6.1
146.09581	1.7
147.06827	5.5
147.07933	1.2
148.07576	41.4
153.01918	1.0
154.07809	0.9
156.08168	1.2
158.09642	3.4
160.07542	0.9
162.02213	1.1
164.07076	2.8
167.07068	0.9
167.08485	1.5
170.09665	1.7
171.04419	1.1
171.10422	2.1
172.07503	1.1
174.05511	3.7
174.09146	3.1
175.03957	1.5
182.09671	1.3
184.07588	1.1
186.09131	3.8
186.12816	0.9
188.10712	2.5
189.11552	4.9
195.08080	1.4
195.10196	1.8
196.11266	2.1
198.09195	1.8
199.03937	1.0
199.09924	5.0
200.10616	0.9
201.05435	1.0
210.09161	1.1
211.10005	0.9
213.11542	1.6
214.12279	13.5
216.13834	1.2
223.07961	0.9
224.10736	2.0
226.12370	5.4
227.09328	1.1
231.06718	1.2
241.13341	1.5
242.11768	38.7
243.12381	1.5
243.14946	34.3
252.10136	1.1
255.02899	2.5
269.04767	0.8
269.12894	9.4
270.11261	60.5
271.11407	1.9
287.05545	11.0
287.10101	5.7
287.13898	37.6
287.17136	2.0
287.20239	1.2
287.23465	1.7
288.05792	1.4
288.14288	1.0
305.14993	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04149	1.4
54.60911	1.5
55.05508	2.0
56.96564	2.5
57.38634	1.3
58.99578	3.8
60.92802	1.7
65.33273	1.4
67.05499	5.6
68.99787	1.9
69.03406	2.0
69.07069	42.8
69.95466	10.0
70.06597	2.1
71.04986	2.3
73.64764	1.7
79.05476	4.9
81.03415	3.5
81.07056	7.2
82.03767	1.7
83.04992	1.8
85.02888	3.6
86.99044	4.3
91.05496	12.5
93.07047	3.9
94.06567	5.9
95.04957	4.9
95.08630	2.1
97.06540	3.8
103.05479	1.9
107.04953	3.2
107.07341	1.8
107.08613	3.7
109.02900	2.6
109.06439	2.4
109.10131	2.4
112.07602	2.7
115.05484	1.9
116.01701	9.8
118.06554	21.5
119.07321	3.0
120.08080	4.9
121.06529	3.2
121.10143	1.8
122.06054	8.0
129.06979	2.9
131.04999	2.1
131.07320	2.2
131.08537	2.7
133.08858	3.2
135.08086	2.2
137.02242	1.6
137.05997	3.4
140.07069	54.3
143.07179	2.6
144.01144	4.4
144.08080	3.6
145.06386	2.3
146.06026	11.5
147.04396	2.1
147.06831	7.2
147.11600	2.3
148.07584	32.6
149.05954	2.2
154.07773	2.5
158.09648	5.0
158.75140	1.6
159.11688	1.8
162.02197	7.6
163.07561	2.2
164.07024	3.1
167.08531	2.1
168.08130	2.6
169.08876	3.0
170.09628	3.6
171.10391	3.6
173.05936	2.2
174.05486	4.2
174.09117	4.4
177.05464	1.8
181.04895	1.7
181.08894	2.8
183.04279	1.9
183.10390	2.2
184.07628	2.3
184.11235	2.5
186.09184	6.0
186.12721	1.9
188.10692	5.4
189.11493	8.4
195.08009	3.3
196.11299	3.7
198.09247	3.8
198.12874	2.7
199.03894	2.0
199.09903	11.2
211.09938	2.9
212.10809	2.0
213.05487	2.8
214.12302	20.6
216.13812	2.3
224.10716	4.4
226.12320	15.7
227.03548	2.5
229.04887	3.1
231.06474	2.2
241.13406	3.3
242.11771	65.6
243.14941	67.9
244.15288	2.4
253.09560	1.9
255.10310	3.0
257.04449	3.5
261.19745	1.5
269.12918	15.7
269.22629	1.9
270.11252	100.0
271.11652	2.2
287.05499	28.4
287.10239	6.9
287.13889	55.3
287.17075	3.3
287.19974	2.2
287.23721	3.1
305.15097	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	287.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01860	1.1
55.05513	1.0
56.96568	3.2
57.03434	2.3
63.99294	0.7
64.85323	0.7
67.05506	2.6
69.03433	1.6
69.07075	14.0
70.06598	1.2
71.00970	1.4
71.01309	1.3
71.05006	1.7
72.16850	0.7
73.02888	1.3
78.04723	1.5
79.05494	4.8
80.05032	1.9
81.03412	0.9
81.07057	1.4
85.02903	2.0
91.05495	8.9
93.05791	2.7
93.07046	3.2
94.06571	15.8
95.04981	3.3
95.07311	0.7
95.08601	1.6
97.06541	4.3
98.97580	2.5
103.05459	3.6
104.05007	4.6
105.07011	4.4
107.04959	25.1
107.07344	0.9
108.08102	0.8
109.06510	1.0
109.10161	1.1
110.06060	3.5
110.97558	0.9
111.04468	0.8
112.07623	1.9
115.05468	1.7
116.04980	2.8
117.05775	1.9
117.06991	1.3
118.06548	100.0
119.07349	18.2
119.08588	1.3
120.05730	1.0
120.08120	9.8
121.06479	1.1
121.10191	1.3
122.06030	25.2
123.04437	2.1
124.05254	1.3
124.07612	2.3
125.05889	1.0
126.44066	0.7
128.98668	1.3
131.04919	1.8
132.08060	0.8
133.08910	0.8
133.10124	1.1
134.06010	1.4
134.99635	1.3
135.08069	7.5
136.07596	1.0
136.50508	0.8
137.06007	1.3
140.07071	20.9
142.08646	3.7
144.08067	1.7
145.07686	1.0
146.06023	36.0
146.99594	1.6
147.06808	28.2
148.07585	41.5
149.05995	1.3
152.24872	0.7
153.05313	0.8
154.06256	1.4
158.09694	1.9
158.99583	0.8
160.07504	0.7
161.13258	0.8
163.07550	19.1
164.07066	7.5
167.07056	47.7
168.07964	1.8
170.09724	1.5
171.10399	2.4
174.09158	2.5
177.00757	1.5
180.07877	2.4
181.08827	1.8
184.07614	1.1
184.11157	1.0
185.08188	1.5
186.09113	2.7
186.12770	1.6
188.10706	3.4
189.11540	6.5
193.08664	1.4
195.10184	13.3
196.11224	2.7
198.09270	1.4
198.12804	2.5
199.03784	0.9
199.09885	4.2
200.10684	1.2
210.09178	1.8
211.09764	3.4
212.10878	1.1
213.11276	19.7
213.13666	1.8
214.08762	1.2
214.12289	12.0
216.13884	4.1
218.08113	1.0
224.10706	3.2
226.12477	6.8
227.09349	1.3
228.12598	1.2
231.14873	1.5
237.02855	2.8
241.13435	7.2
242.11765	36.5
243.14946	53.1
244.15366	1.8
251.11917	0.8
252.10149	1.2
254.10446	1.8
259.14490	4.8
261.16043	0.9
264.03909	1.2
269.12866	33.3
269.22510	1.4
270.11237	57.6
271.11667	1.2
287.05673	4.2
287.13904	50.6
287.23602	2.5
288.14206	2.0
305.14944	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	287.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.1
67.05513	7.7
68.05021	1.8
69.03440	1.3
69.07072	17.7
69.71954	0.9
70.06592	2.9
70.77099	2.8
72.08145	3.1
74.06075	1.0
79.05496	3.9
80.05018	3.6
80.11498	0.9
84.08147	1.2
86.09669	1.7
91.05500	4.0
93.05765	1.8
93.07043	1.0
94.06573	35.9
95.04966	6.5
95.06898	1.1
96.04474	1.0
97.06512	2.4
98.97582	1.6
99.38840	1.0
104.05008	2.5
105.07065	0.9
110.06014	2.4
112.07623	6.6
112.94616	1.0
114.10273	2.5
118.06551	46.6
119.07355	8.0
120.08109	9.8
122.06036	74.3
123.04434	2.2
124.07579	1.1
130.23619	0.9
133.08900	1.0
134.06001	0.9
139.27072	1.1
140.07069	92.2
142.08626	2.4
145.10173	1.2
146.06018	19.4
147.06790	14.8
148.07578	100.0
149.07965	1.2
158.09677	1.1
164.07071	3.0
172.11237	1.3
174.08981	1.3
186.09326	1.1
188.10706	1.5
189.11490	2.8
196.11319	1.7
198.12852	1.4
199.09926	2.2
209.69664	1.1
213.11549	0.9
213.13870	1.2
214.12256	4.8
216.13963	1.5
224.10814	1.4
226.12265	3.1
241.13301	2.4
242.11760	21.2
243.14946	21.4
254.10405	1.4
259.14334	1.7
269.12845	13.2
270.11282	24.7
270.14182	1.4
276.03876	1.3
287.05530	5.3
287.10587	1.4
287.13904	29.0
287.16730	1.7
305.14987	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	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26036	0.6
52.61175	0.5
57.03419	0.9
69.03401	0.6
69.07043	0.6
70.06580	2.5
71.04964	0.6
71.33596	1.2
74.54407	0.6
84.04498	0.8
85.02901	0.7
95.04935	1.1
95.08553	0.7
107.04972	0.8
111.04480	0.6
112.08719	0.6
113.06003	1.5
123.04403	0.7
125.05957	1.4
125.07130	2.1
127.03907	0.9
132.04443	1.8
149.05898	0.7
151.03905	1.9
153.01746	0.8
171.07669	1.0
175.11896	1.1
177.05458	1.0
287.05615	3.5
287.11017	100.0
288.11356	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.8
56.96566	3.8
57.03438	6.1
59.04977	0.8
59.08560	0.6
60.05633	1.3
61.02935	3.4
67.05497	1.1
69.03429	10.6
69.50134	4.1
70.06593	32.7
70.98128	0.8
71.04993	3.5
71.94096	1.0
72.08147	2.1
73.02917	5.1
74.06071	0.9
81.03422	3.4
83.01874	0.6
83.04958	0.7
84.04504	8.0
84.08137	1.2
84.96035	1.0
85.02907	19.5
85.06519	1.1
86.03223	0.6
87.04462	1.7
88.04002	1.4
89.95120	0.7
90.01554	0.8
91.05457	0.7
93.03371	0.8
95.06078	1.3
97.02906	8.8
97.07651	1.0
98.06052	0.8
98.21524	1.0
98.97585	7.5
99.00807	0.7
99.04455	2.3
100.05210	1.1
102.05509	0.9
102.97099	0.7
104.01268	0.7
106.36875	0.6
109.02871	2.8
110.01276	2.3
110.07156	2.9
110.18056	0.6
110.97544	1.3
111.04485	0.8
111.07491	1.2
112.08735	2.1
112.96706	0.9
113.02393	0.8
113.06005	3.8
114.10266	0.8
116.07112	7.2
116.98614	4.1
117.02003	0.8
119.01835	3.1
123.02097	0.6
123.59515	0.7
125.01806	0.6
126.12766	0.8
127.03910	5.6
128.02328	3.0
128.98599	2.6
130.04984	1.1
130.09743	0.7
130.97742	0.9
131.01820	1.0
134.99632	1.3
140.98567	0.8
143.00183	3.7
144.06532	0.8
145.03400	0.8
145.04973	2.9
146.02264	1.2
146.99634	2.6
148.03973	1.0
152.02336	1.2
154.06131	5.3
154.94182	0.7
155.02916	1.0
157.03398	0.8
157.97690	0.8
158.09224	1.8
158.99660	1.7
161.01279	3.6
161.02869	2.4
162.03600	1.9
164.08299	0.8
164.12651	1.5
165.00757	1.3
165.09152	0.7
166.12294	0.8
167.02907	0.7
168.06621	1.3
170.08102	0.8
170.99622	1.6
171.04187	1.1
172.07193	8.4
172.95206	1.7
173.02856	1.7
174.03461	0.8
175.11905	2.8
175.98761	1.6
177.00844	1.6
179.02740	0.9
182.03363	1.2
185.01176	1.3
186.07607	6.2
188.03342	4.4
189.00710	3.5
189.04254	0.9
190.96249	1.4
191.02304	1.1
191.03889	3.7
192.04707	0.7
197.02200	1.2
197.03873	6.0
198.04613	4.9
200.04399	2.7
201.00716	1.5
203.02293	1.7
204.99992	0.7
206.02710	1.3
206.04517	2.0
207.01762	0.8
207.05177	12.1
209.04950	1.7
211.55212	0.9
216.05655	1.2
218.56052	0.7
219.01775	2.0
224.10410	1.2
228.08675	1.5
231.01813	1.3
237.02797	1.1
249.02858	1.4
251.04443	6.0
257.04456	1.5
267.03922	1.2
269.05588	7.0
269.12457	1.8
269.15781	0.9
273.02908	0.7
287.05597	9.0
287.10989	100.0
287.13577	15.1
287.17410	8.1
288.11331	2.6
291.00351	1.3
291.03882	3.1
293.05496	3.4
305.05615	0.8
309.04941	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03951	0.2
55.05508	0.2
56.96560	0.3
61.54827	0.1
63.08234	0.2
65.03944	0.3
67.01871	0.1
67.05514	0.3
68.99787	1.6
69.03445	0.4
69.07066	0.3
69.27143	1.3
69.27544	0.3
79.05499	1.0
81.03423	0.4
81.07057	0.5
82.00378	0.2
86.09780	0.2
91.05476	0.4
93.07028	0.3
95.04958	0.4
95.08605	0.5
97.06503	0.2
98.97578	0.2
103.05460	0.2
105.03385	0.8
105.07020	0.4
107.04934	0.7
107.08595	0.5
109.02876	0.7
109.10194	0.4
111.00802	1.3
111.04439	0.4
115.05429	0.2
116.98638	0.2
119.08537	0.3
121.02879	6.1
121.03868	0.3
121.06559	0.2
121.10143	0.4
123.11735	0.2
124.81886	0.2
127.03920	0.4
129.06992	0.3
131.08569	0.2
133.02853	0.5
133.10121	0.5
134.99564	0.2
135.04425	0.4
135.08115	0.2
137.02336	2.2
140.52872	0.2
143.08554	0.2
145.06525	0.5
147.04385	1.2
147.11708	0.3
153.01842	9.2
154.02174	0.3
157.06491	1.2
159.11671	0.4
161.05957	0.4
165.01845	2.7
171.03069	0.1
171.04453	0.7
173.13313	0.2
175.03896	0.2
175.07632	0.2
183.02910	1.4
184.05246	0.2
185.05997	1.0
189.05421	0.3
197.06062	0.3
199.03882	0.4
201.05437	0.3
203.03395	0.2
203.07060	0.3
213.03647	0.1
213.05484	2.7
216.04143	0.2
229.04941	0.5
231.06487	1.0
241.04993	1.6
243.06476	0.2
245.04488	0.3
255.47983	0.2
258.05249	2.0
259.05951	0.8
269.04578	0.3
286.04794	0.2
287.05511	100.0
287.23514	1.0
288.05844	3.2
288.09152	0.2
290.81604	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	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.23148	0.1
65.03931	0.3
65.49598	0.1
67.01871	0.2
67.05489	0.2
68.99435	0.1
68.99790	1.7
69.03436	0.2
69.07062	0.1
71.01330	0.1
71.33237	0.1
71.33584	0.2
79.05502	0.7
80.46003	0.1
81.03413	0.3
81.07056	0.3
89.58321	0.1
91.05461	0.3
93.07047	0.2
95.04960	0.4
95.08614	0.2
98.39480	0.1
98.97581	0.2
103.05475	0.3
105.03387	0.8
105.07030	0.3
107.04962	1.0
107.08599	0.2
109.02902	0.7
109.10153	0.1
110.97525	0.1
111.00807	1.5
111.04476	0.5
115.05449	0.2
117.07012	0.1
119.08560	0.2
121.02875	5.6
121.03843	0.2
121.06476	0.1
121.10102	0.1
121.29429	0.1
123.39175	0.1
124.07620	0.1
127.03905	0.2
128.06223	0.2
129.07033	0.3
131.08508	0.1
133.02861	0.8
133.10124	0.1
135.04420	0.3
137.01353	0.1
137.02350	2.2
137.05963	0.3
141.06973	0.3
145.06499	0.6
147.04417	1.3
147.11647	0.1
153.01839	8.7
154.02191	0.1
157.06482	1.2
161.05988	0.3
163.03902	0.2
165.01843	3.3
169.06474	0.2
171.02948	0.2
171.04419	0.6
175.03937	0.2
175.07539	0.1
183.02916	1.5
184.05174	0.1
185.05978	1.3
189.00719	0.1
189.05428	0.2
194.02104	0.1
197.05963	0.3
199.03783	0.2
201.05522	0.2
203.03442	0.2
203.07118	0.2
213.05482	3.3
216.04134	0.1
217.04968	0.1
221.45981	0.1
223.04182	0.1
224.46629	0.1
229.04886	0.5
231.06544	1.0
241.04956	1.4
243.06523	0.1
245.04507	0.2
258.05283	2.2
259.06036	0.9
269.04434	0.4
269.13065	0.1
269.22565	0.1
287.05508	100.0
288.05811	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	287.0551
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03934	0.1
55.01861	0.2
65.03930	0.3
66.12457	0.1
67.01856	0.2
68.99427	0.1
68.99789	1.7
69.03441	0.2
70.63635	0.1
70.64020	0.2
79.05498	0.4
81.03394	0.2
87.08080	0.1
90.80607	0.1
91.05505	0.1
95.04977	0.2
96.21208	0.1
100.56995	0.1
103.05493	0.2
105.03407	0.9
105.07011	0.1
107.04961	1.0
109.02886	0.6
111.00806	1.6
111.04432	0.3
115.05468	0.1
117.06966	0.1
119.04927	0.1
121.02866	5.9
121.06479	0.1
127.03920	0.2
129.07007	0.2
133.02861	0.9
135.04413	0.2
137.02348	2.1
141.06969	0.1
145.06494	0.5
147.04408	1.3
151.03920	0.1
153.01831	9.7
154.02258	0.1
157.06491	1.2
158.26642	0.1
161.02306	0.1
161.05934	0.3
163.03873	0.1
165.01839	3.4
166.02477	0.1
167.84680	0.1
169.06508	0.1
171.02972	0.1
171.04369	0.7
173.05998	0.1
175.03903	0.2
175.07695	0.1
183.02898	1.8
183.04503	0.1
184.05112	0.1
185.06001	1.0
189.05482	0.3
190.97583	0.1
193.01471	0.1
194.02150	0.1
197.05995	0.3
199.03934	0.1
201.05444	0.1
203.03427	0.2
203.07048	0.3
212.04608	0.1
213.05463	2.8
216.04088	0.1
217.04976	0.2
229.04990	0.3
231.06519	1.2
241.04965	1.5
242.05650	0.1
243.06429	0.2
245.04361	0.1
257.04489	0.1
258.05252	2.2
259.06104	0.8
269.04434	0.3
284.90594	0.1
287.05499	100.0
288.05823	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	287.055
Annotation	Kaempferol
Peak:m/z	Relative Intensity
53.03956	0.1
55.01857	0.2
55.05507	0.4
56.96555	0.2
57.07042	0.1
58.82896	0.1
60.23211	0.1
61.62782	0.1
65.03926	0.3
67.01864	0.1
67.05501	0.6
68.99795	1.9
69.03410	0.3
69.07063	0.6
69.48876	0.9
70.95845	0.1
71.01335	0.2
71.04986	0.2
79.05125	0.1
79.05502	1.0
81.03414	0.4
81.07063	1.3
83.08604	0.2
84.04478	0.1
85.02898	0.2
87.08092	0.3
88.08440	0.1
88.29201	0.1
91.05465	0.6
93.07050	0.8
95.04975	0.6
95.08609	0.9
97.02895	0.2
97.06500	0.2
97.10156	0.1
98.97590	0.2
103.05468	0.2
105.03386	0.8
105.07031	1.3
107.04963	1.0
107.08610	0.8
109.02888	0.7
109.06499	0.2
109.10164	0.5
111.00805	1.5
111.04430	0.3
111.08089	0.2
115.05503	0.1
116.98615	0.1
117.06978	0.3
119.04959	0.2
119.08589	0.9
121.02870	5.7
121.06467	0.2
121.10135	0.5
122.06039	0.2
123.08049	0.1
123.11709	0.3
124.07585	0.3
125.09669	0.2
127.03888	0.2
128.06203	0.1
129.06989	0.4
130.04961	0.1
131.08569	0.3
133.02861	0.8
133.10153	0.7
135.04384	0.4
135.08069	0.1
135.11668	0.4
137.02354	1.9
137.09618	0.2
139.05443	0.1
141.06998	0.4
143.08574	0.1
145.06516	0.5
145.10126	0.5
147.04416	1.2
147.11690	1.0
149.13234	0.3
151.03949	0.1
153.01828	9.1
154.02180	0.1
157.06508	1.3
157.10165	0.1
159.11729	0.5
161.05966	0.4
161.13228	0.4
162.05533	0.2
163.03983	0.2
165.00520	0.2
165.01848	3.2
165.03232	0.2
170.06281	0.1
171.02940	0.2
171.04416	0.6
171.11671	0.1
173.05942	0.2
173.13277	0.3
175.03893	0.2
175.14833	0.3
176.07025	0.1
177.05441	0.1
177.16487	0.1
183.02887	1.5
184.05020	0.1
185.05984	1.0
185.13264	0.2
187.14796	0.2
189.05470	0.3
189.16406	0.2
197.05975	0.2
199.14825	0.3
201.00894	0.1
201.05559	0.1
203.03381	0.3
203.06993	0.3
213.05481	2.9
213.16409	0.3
214.06044	0.1
216.04225	0.2
217.05051	0.2
227.17780	0.1
228.14340	0.1
229.05002	0.4
231.06538	1.2
237.02753	0.2
241.04955	1.5
243.06601	0.2
244.03642	0.1
245.04436	0.2
258.05267	2.2
259.06091	0.9
260.16873	0.3
266.84415	0.1
269.04480	0.5
269.22601	0.5
270.11304	0.1
286.04367	0.1
287.05499	100.0
287.23630	2.2
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	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.01868	0.1
55.05495	0.1
65.03941	0.3
67.01856	0.3
67.05489	0.2
68.99791	1.7
69.03429	0.2
69.48750	0.7
71.05018	0.1
79.05488	0.5
80.38195	0.1
81.03416	0.5
81.07059	0.2
91.05465	0.1
95.04955	0.2
95.08660	0.1
98.21516	0.1
103.05454	0.2
105.03385	0.8
105.07037	0.1
107.04958	0.9
108.53889	0.1
108.73418	0.1
109.02876	0.7
109.10128	0.1
109.74117	0.1
111.00806	1.3
111.04430	0.4
115.05470	0.2
119.08569	0.1
121.02871	5.6
121.06448	0.1
121.10117	0.1
122.03186	0.1
127.03919	0.3
128.06190	0.1
129.07011	0.4
131.04956	0.1
133.02861	0.7
133.10156	0.1
135.04422	0.4
137.02348	2.0
141.06955	0.2
143.04982	0.1
145.06520	0.4
147.04411	1.2
147.05530	0.2
147.11609	0.1
151.03918	0.1
153.01828	9.5
154.02142	0.2
157.06499	1.1
161.05980	0.2
163.03963	0.1
165.01843	3.1
166.02545	0.1
169.06494	0.2
171.02943	0.2
171.04419	0.5
173.05922	0.1
175.03966	0.2
175.07542	0.1
179.03522	0.1
183.02907	1.5
185.05963	0.8
189.05493	0.3
197.05991	0.2
199.03885	0.1
203.03337	0.2
203.07048	0.2
213.05458	2.8
216.04211	0.2
229.04996	0.4
231.06519	1.1
241.04958	1.3
243.06490	0.1
245.04410	0.1
255.02934	0.1
258.05261	2.0
259.05994	0.8
269.04456	0.3
284.53345	0.1
287.05499	100.0
288.05835	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	287.0552
Annotation	Cyanidin
Peak:m/z	Relative Intensity
52.92110	0.3
53.03942	0.4
55.01868	0.7
55.05503	1.2
56.96561	1.0
57.71576	0.3
58.55069	0.3
65.03923	0.4
67.05497	1.4
68.99791	1.6
69.03424	0.6
69.07081	1.4
69.71049	1.8
70.37538	0.2
73.02911	0.3
78.05427	0.3
79.05506	0.8
81.03409	0.4
81.07066	2.6
83.08636	0.3
89.03922	0.4
91.05482	1.3
91.42542	0.3
93.07042	1.6
95.04960	1.0
95.08602	1.5
97.06518	0.3
97.10152	0.4
98.21545	0.3
98.97591	0.5
103.05479	0.9
105.03407	0.5
105.07034	2.3
107.04958	1.3
107.08588	1.1
109.02853	0.9
109.06484	0.4
109.10157	1.1
111.00785	1.3
111.04433	0.4
114.10284	0.3
115.03913	0.4
115.05409	0.4
116.98649	0.6
117.03365	0.8
117.07013	0.6
119.04926	0.8
119.08590	1.8
121.02881	5.8
121.06475	0.5
121.10161	1.0
123.11722	0.7
129.07063	0.3
131.04893	0.5
131.08580	0.8
133.02832	0.6
133.04916	0.4
133.10112	1.0
135.04430	0.6
135.08076	0.4
135.11658	0.5
137.02342	1.8
137.05959	0.9
141.06955	0.4
143.08496	0.4
145.02873	2.0
145.06554	0.6
145.10126	1.1
146.99727	0.3
147.04408	1.9
147.08049	0.3
147.11694	1.0
149.13252	0.4
151.03882	0.4
151.41270	0.3
153.01826	9.1
157.06497	1.0
157.10069	0.4
159.11737	0.8
161.05920	0.6
161.13248	0.6
163.03915	0.3
163.07587	0.3
163.11212	0.5
165.01868	2.7
167.06990	0.5
171.04419	0.9
173.13322	0.7
175.03947	0.6
175.14835	0.5
177.05461	2.9
178.05823	0.6
183.01492	0.3
183.02882	1.8
185.05923	1.5
187.14908	0.5
189.05551	0.3
199.03876	0.5
203.03471	0.4
207.06516	0.7
213.05458	2.6
213.16412	0.5
219.01691	0.4
229.04871	0.4
229.19598	0.3
231.06560	1.4
237.02829	1.1
241.04979	1.5
245.04649	0.4
247.03030	0.3
258.05276	2.2
259.05807	1.0
269.04468	0.6
269.22687	1.5
287.05505	100.0
287.23633	4.6
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	286.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	100.0
64.87904	0.6
69.75150	0.6
70.06578	1.5
70.98118	0.8
71.60133	1.2
74.97610	23.7
80.95014	0.6
84.04507	0.9
85.02901	1.1
86.97579	2.7
92.98646	6.1
97.99175	1.4
98.97573	0.8
98.98430	0.8
114.97076	1.1
115.00712	0.7
116.98563	0.7
122.72932	0.6
132.04477	1.4
132.98094	4.0
133.01630	0.7
141.02209	1.4
143.03760	1.8
145.01671	1.0
148.03867	1.2
150.99146	38.3
159.03282	2.8
161.04868	36.4
161.06235	1.0
162.05447	0.6
165.06705	0.6
167.26956	0.6
169.00218	34.3
174.00797	3.6
177.04369	3.2
179.05917	31.1
184.06413	3.5
192.01778	2.5
195.05388	2.0
197.06819	0.9
202.07507	2.2
205.03873	2.1
211.03909	1.5
214.80406	0.6
219.05411	4.9
223.04898	5.4
223.07065	0.8
229.04967	2.0
234.07399	0.8
235.04895	0.8
237.06535	4.3
242.06868	0.6
255.02841	1.1
257.04498	2.9
263.04416	13.8
273.03925	1.2
281.05496	9.8
286.06036	2.1
286.11801	0.6
286.18631	0.7
287.05493	10.2
303.74606	0.5
304.06891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01862	1.4
55.05507	7.9
56.05022	3.4
56.96569	1.6
58.99585	14.1
61.01141	1.8
61.99982	0.7
67.05493	3.6
68.05019	1.4
68.99792	1.1
69.07066	2.4
71.04987	0.9
71.59681	1.2
74.00671	1.9
76.02190	0.9
76.04019	4.4
79.05489	3.3
81.03409	1.4
81.07050	3.8
83.08617	1.2
84.04490	2.1
85.01149	3.9
85.02896	1.3
86.00654	12.9
87.02690	3.3
88.02196	1.6
89.04253	6.7
91.05486	3.0
93.07040	2.1
94.06579	0.9
95.06090	4.6
95.08589	2.2
97.02856	1.0
97.06499	1.3
98.09695	11.4
98.97606	2.7
101.04259	7.1
102.05540	5.7
105.07009	2.2
107.04935	1.9
107.08607	1.0
108.08080	1.0
110.09661	2.1
111.58024	0.9
112.03964	3.5
113.01720	2.8
113.04237	6.8
115.05765	0.9
116.01690	4.1
116.98617	2.5
119.08556	1.8
121.02885	1.9
122.09653	1.2
127.05806	1.1
129.06430	1.6
129.07352	25.9
130.05028	2.5
130.06856	3.2
130.08638	2.0
133.10060	1.4
134.99657	1.4
139.05760	1.2
143.02751	1.2
144.01193	1.3
145.05942	0.9
147.04405	3.3
147.11649	0.9
153.01840	2.8
156.08427	30.8
156.10208	8.9
161.01265	0.8
162.02190	1.5
165.01852	0.9
177.00687	1.8
183.09520	82.9
184.09879	1.5
185.05893	1.0
193.12300	1.5
199.03825	0.9
205.95961	1.0
211.13319	3.3
213.05466	2.1
216.06935	5.5
219.75401	0.9
222.09218	2.4
226.09448	1.0
237.02872	1.5
240.11600	1.1
241.05055	1.3
245.04660	0.9
252.24805	0.9
254.08897	2.7
258.05273	1.8
259.11124	100.0
260.11447	2.4
286.04764	1.2
286.08289	0.8
286.12234	9.3
287.05505	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.3
56.05036	0.7
56.96563	0.8
59.04998	2.1
61.02919	4.8
68.05047	0.7
69.03409	0.8
70.06592	10.9
70.06955	1.1
70.85409	1.2
70.85820	1.3
71.04994	6.7
79.05491	2.1
81.04514	0.8
81.07062	13.9
82.05328	1.3
83.06106	10.9
85.02910	1.8
87.08114	1.0
93.04537	7.7
95.06096	15.5
97.02905	0.6
98.97597	0.9
103.50838	0.6
107.06059	2.2
110.07169	100.0
111.05585	1.6
111.07513	1.5
112.07608	9.2
112.08753	2.6
121.01987	0.6
121.07617	1.8
124.07610	0.6
132.04456	1.1
140.07089	6.3
151.12280	0.7
156.07698	14.5
161.02983	0.8
163.12309	58.3
164.12662	1.8
166.06146	2.1
175.88829	0.6
183.75929	0.6
190.13379	8.9
193.13367	1.0
208.14464	12.8
210.16069	1.5
212.15356	0.7
219.11334	1.7
236.13934	8.7
240.17096	9.7
242.18735	0.7
254.04408	0.8
254.12352	1.3
254.15022	25.5
255.15378	0.9
276.84897	0.6
286.17618	98.4
287.10995	17.5
287.13974	1.3
287.17865	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	286.0465
Annotation	Riccionidin A
Peak:m/z	Relative Intensity
50.78135	0.2
55.01852	0.4
56.96558	0.5
59.09048	0.3
64.00751	0.3
65.03952	0.3
66.01075	1.2
67.05507	0.3
68.99787	1.2
69.07059	0.6
69.35718	2.2
71.01357	0.3
78.01074	0.8
79.05499	0.3
81.07043	0.6
83.08581	0.3
84.02110	0.4
85.02905	0.4
91.05468	0.5
93.07042	0.4
94.04182	2.4
95.08608	0.8
98.97573	1.0
99.96055	0.3
100.11225	0.6
105.07027	0.7
107.08587	0.7
108.02096	0.6
111.04425	0.5
116.98612	0.5
119.08557	0.4
119.36809	0.3
121.02863	9.5
121.10129	0.3
123.11673	0.3
126.03142	1.4
128.06232	0.5
133.10043	0.4
134.03645	0.6
134.99693	0.4
136.01570	0.5
137.02347	1.8
143.00087	0.3
147.11717	0.6
151.75648	0.2
153.01802	1.0
160.05183	0.3
161.05966	0.3
166.07414	0.3
184.05206	3.7
187.03943	0.5
188.04710	1.7
189.05396	0.5
193.01337	0.6
199.23051	0.3
201.00742	0.4
201.05450	0.5
202.06235	0.6
210.01639	0.4
212.04622	2.3
213.05486	5.3
215.03435	0.8
216.04158	0.4
219.01761	0.4
219.90656	0.3
222.06335	0.3
226.09448	1.0
229.04967	7.0
230.05679	0.9
240.04185	0.5
241.04958	1.9
243.02950	0.4
249.02805	0.5
254.08989	2.0
257.04440	2.9
258.05231	13.0
261.03830	0.3
269.04529	1.1
272.03171	0.6
277.12051	0.8
285.03934	45.8
286.04703	100.0
286.25732	0.5
287.05057	4.3
291.03842	0.8
306.63947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65251	4.4
55.05511	35.3
57.03439	23.4
57.07083	27.2
58.01937	4.1
67.05505	40.0
69.07073	59.3
70.56990	12.8
71.04984	9.1
71.08635	12.9
78.40580	4.6
79.05497	21.1
81.03421	29.4
81.07063	100.0
83.04967	5.9
83.08624	68.3
85.02905	28.2
85.10197	5.6
89.49766	4.2
91.05478	25.6
93.07060	16.8
95.04975	12.9
95.08607	85.7
97.02882	4.2
97.06546	6.0
97.10159	41.8
104.43027	4.2
104.87502	4.2
105.07034	16.5
107.04963	4.8
107.08623	7.8
109.10165	68.3
111.11726	23.8
119.08583	15.6
121.10163	12.0
123.11719	46.9
125.13322	6.1
129.07088	6.9
131.08514	8.6
133.10103	5.9
137.13246	15.7
145.10129	5.6
147.11705	16.4
151.14864	4.6
157.05556	4.5
157.10092	8.8
161.05916	4.3
175.11235	11.4
193.12265	33.8
209.84900	4.6
211.13295	38.0
220.53790	4.5
220.65973	4.1
249.25922	8.2
285.07651	6.7
285.16922	36.9
285.21973	7.1
285.29782	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01861	3.4
55.05515	7.7
56.96564	2.0
57.03446	7.2
63.00043	1.4
63.61007	1.1
67.05211	1.5
67.05506	14.4
69.03421	4.2
69.07066	3.5
69.53530	9.4
70.06584	3.7
71.04981	2.4
71.06919	1.4
79.05493	15.3
81.03422	100.0
81.07056	15.5
83.04976	7.2
83.08624	19.8
84.04492	1.6
85.02910	7.1
85.06544	2.6
91.05485	22.3
93.07056	8.5
95.04967	28.2
95.08618	5.1
97.02883	3.3
97.06509	2.9
97.10143	2.5
98.97585	2.2
98.98483	1.6
105.07037	11.0
107.04960	7.5
107.08587	4.8
109.06502	5.4
109.10136	3.3
111.04414	3.0
111.08081	13.9
113.06037	1.6
115.05421	1.6
117.07006	1.5
119.04918	1.9
119.08595	11.6
121.02864	4.1
121.06557	2.1
121.10149	5.2
122.03225	1.3
123.04398	1.5
123.08093	1.9
123.11690	1.5
125.09625	1.5
129.07031	9.6
131.08549	7.8
132.04451	5.2
133.06516	3.2
133.10139	8.7
137.05994	1.7
137.09601	2.3
142.07747	2.4
145.10101	1.7
147.04411	1.3
147.08012	3.0
147.11697	10.6
149.09622	4.9
154.07835	1.5
157.10129	12.3
159.11700	1.6
161.05972	4.5
165.05647	1.7
165.07025	5.2
171.11652	1.9
175.11197	17.1
181.05054	1.6
181.06491	2.6
182.07327	1.7
193.06549	4.1
193.12263	58.1
210.06801	4.2
211.13315	11.9
217.07401	2.2
221.06061	6.6
221.07916	1.5
225.09158	9.0
238.06317	1.6
241.07535	2.4
243.01839	1.4
253.08580	10.1
259.08517	7.8
267.10080	3.2
267.15921	19.5
268.10901	1.6
270.08853	2.4
277.09686	2.7
285.04007	3.5
285.07938	2.3
285.11075	27.6
285.16644	11.5
285.22122	3.8
285.29678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41410	1.4
53.03938	1.7
55.01880	2.8
55.05516	7.9
56.96561	1.7
57.03445	10.2
65.52728	1.4
67.05517	11.3
69.03416	2.5
69.07082	7.3
71.04977	2.3
71.58823	2.4
79.05497	12.0
80.78223	1.5
81.02986	2.6
81.03424	37.9
81.07066	17.3
83.04972	4.4
83.08620	13.3
85.02510	1.6
85.02917	20.3
91.05506	12.3
93.07072	7.7
95.04971	16.8
95.08605	7.3
97.02880	2.3
97.06523	2.8
97.10137	1.9
105.07022	11.1
107.04957	3.5
107.08582	5.4
109.06515	2.8
109.10155	5.1
111.04362	1.6
111.08078	9.3
113.05982	1.9
119.08606	10.6
121.06552	1.6
121.10137	6.9
123.08096	1.9
123.11687	2.6
129.07001	4.2
131.08559	6.0
133.06494	3.4
133.10141	3.8
135.11737	1.7
137.06007	2.2
137.09622	2.8
143.08578	2.1
146.03613	4.0
147.08005	2.6
147.11682	9.3
149.09653	2.6
151.11023	1.6
154.07730	2.2
157.10074	8.5
161.05991	16.6
162.07205	1.4
165.07024	28.3
165.12788	2.0
174.56651	1.6
175.04675	1.5
175.11223	8.3
181.06531	3.6
182.07248	10.0
188.04657	1.6
193.06491	19.3
193.12251	40.1
194.07173	4.2
204.11824	1.4
207.42926	1.6
210.06792	16.9
211.13289	24.3
221.05972	26.3
222.06633	2.4
225.09099	38.5
225.11145	3.2
226.09474	2.2
238.06210	8.2
239.07040	2.6
253.08615	100.0
254.09264	7.6
267.15891	6.6
268.10760	1.9
270.08798	3.2
285.11218	57.7
285.16898	42.1
285.22119	6.4
285.29688	2.0
286.11392	2.1
292.29373	1.7
297.15329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03941	3.1
55.01864	1.9
55.05511	7.8
56.96551	0.8
57.03440	6.0
67.05502	10.7
69.03423	1.8
69.07059	2.0
69.41711	5.1
69.42121	1.8
71.04987	1.8
71.20677	0.7
75.04472	0.8
79.05489	11.3
81.03418	100.0
81.07058	10.5
83.04988	4.3
83.08620	20.3
85.02904	3.9
91.05482	12.8
93.07046	7.0
95.04969	26.8
95.08599	2.2
97.02907	3.1
97.06583	0.8
97.10178	1.1
105.07030	8.8
107.04971	6.4
107.08598	3.1
107.09547	0.7
107.64369	0.7
109.06536	2.4
109.10155	1.3
111.04459	1.3
111.08078	12.1
115.05517	1.0
117.07026	1.0
119.08585	9.4
121.06516	1.1
121.10184	3.8
123.08033	1.2
125.05988	0.9
128.98604	0.8
129.07013	8.1
131.08556	6.5
133.06503	3.1
133.10150	3.7
142.07813	1.9
145.10165	0.8
147.08058	2.3
147.11684	5.8
149.09540	3.7
154.87994	0.8
155.16229	1.0
157.10139	8.8
160.72269	0.7
165.12773	1.8
175.11185	12.4
193.12234	49.6
211.13298	9.0
253.03738	1.3
253.08691	0.9
262.04163	1.8
264.54349	0.7
267.15912	15.6
285.04074	2.4
285.16949	4.6
286.04446	1.4
287.05566	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03954	3.5
54.36522	0.5
55.01870	2.4
55.05513	9.0
56.96575	0.6
57.03184	0.9
57.03442	12.0
57.07083	0.7
58.24698	0.6
58.56509	0.5
60.74997	0.5
63.16877	0.5
65.03953	1.2
67.05508	13.5
67.05868	0.7
69.03443	3.2
69.07071	2.9
69.53014	4.6
70.06588	2.1
71.04993	2.9
72.08151	2.0
75.04476	1.2
79.05493	12.7
81.03423	100.0
81.07057	13.7
83.04993	5.9
83.08620	20.0
84.04509	1.1
84.08136	0.7
85.02914	4.9
85.06561	0.7
87.08105	1.6
91.04905	0.9
91.05479	17.7
91.08833	0.5
93.07046	8.7
95.04360	1.4
95.04973	28.1
95.08601	4.2
97.02900	4.1
97.06528	1.7
97.07652	1.1
99.08135	0.6
105.07029	11.3
106.07400	0.6
107.04953	7.2
107.08615	4.5
109.06525	3.0
109.10159	1.7
111.04462	1.4
111.08084	11.1
112.08847	0.6
114.10312	3.5
115.05473	2.0
115.10654	1.9
117.07059	1.6
119.08590	12.4
121.06528	2.2
121.10160	5.9
123.08086	1.5
123.11724	1.4
128.06238	0.6
129.07010	7.9
130.04944	0.9
131.08566	8.4
133.06509	2.6
133.10161	4.6
135.08099	0.8
135.11740	0.9
137.09607	1.1
142.07805	2.2
145.10124	1.1
147.04408	0.6
147.08095	2.6
147.11696	6.9
149.09631	4.5
151.11241	0.8
154.15924	5.2
155.16249	10.3
157.10130	10.1
165.07057	0.8
165.12811	2.5
167.03412	2.2
167.07100	1.4
173.09254	1.0
175.11195	15.1
182.07278	0.7
186.76686	0.5
191.03436	2.3
193.12253	61.8
210.11246	0.6
211.09697	4.5
211.13284	9.0
213.16226	0.8
213.20804	1.1
214.21167	5.0
221.06026	0.8
225.09128	1.3
227.13901	0.9
229.05003	1.0
243.06476	0.6
249.15060	0.8
253.08775	2.3
258.20050	2.7
259.08456	0.6
259.16504	0.7
267.15930	18.9
285.03842	3.2
285.11404	2.4
285.16901	8.8
285.21875	0.7
286.04788	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.93236	1.9
53.03937	3.4
55.01856	5.0
55.05505	16.0
56.87847	1.8
57.03443	31.6
67.05510	31.3
69.03421	5.8
69.07067	14.4
69.44840	15.6
71.04984	8.7
79.05130	2.2
79.05495	22.5
81.03422	95.2
81.06644	2.7
81.07056	31.9
83.05000	12.3
83.05385	2.7
83.08632	34.9
84.19758	1.9
85.02429	3.8
85.02907	57.1
91.05495	31.8
93.07055	22.6
95.04456	3.0
95.04980	40.6
95.08616	14.8
97.02863	5.5
97.06488	5.6
97.10157	2.1
98.21526	3.8
98.98447	3.5
105.07043	30.7
107.04931	8.1
107.08609	14.0
109.06478	6.0
109.10139	9.2
111.04417	5.2
111.08084	16.6
113.05984	4.9
117.06982	4.1
119.08580	30.4
121.06456	3.5
121.10133	13.6
123.08062	4.5
123.11649	3.4
125.09603	2.9
129.06989	13.2
131.08585	13.6
133.06468	4.7
133.10139	14.0
135.11662	2.8
137.05942	2.9
142.00305	2.1
142.07748	3.9
145.10063	3.4
147.10835	1.9
147.11696	21.7
149.09595	7.0
157.10124	19.2
161.05988	10.5
163.11171	2.1
165.07001	17.7
165.12709	5.2
171.05035	2.4
173.13147	2.3
175.11211	22.6
177.45236	2.2
182.07259	8.2
183.08038	2.7
193.06473	19.4
193.12248	100.0
194.07100	2.7
197.05946	2.7
210.06787	15.8
211.07516	2.5
211.11298	4.0
211.13295	67.0
216.07892	2.6
221.05989	22.6
225.09116	34.8
238.06206	9.8
253.08640	78.0
254.09058	6.9
267.15930	14.2
270.08823	3.4
284.63617	3.2
285.08005	4.7
285.11267	44.8
285.14020	5.0
285.16904	96.8
285.22015	5.0
285.29535	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	285.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01868	2.3
55.05516	2.3
56.96554	5.3
57.03429	2.5
58.48446	1.5
60.67023	1.6
63.67690	1.6
67.05495	3.2
69.03432	2.3
69.07053	2.4
70.06583	3.1
71.04983	2.3
71.57376	1.9
71.57784	2.5
72.08150	2.3
78.04700	1.7
79.05492	5.0
81.03418	9.7
81.07039	5.1
83.04953	2.6
83.08584	2.3
85.02914	2.5
89.36487	1.4
91.05491	14.0
93.07061	10.7
95.04983	8.1
97.02914	2.7
98.97564	2.2
98.98520	2.3
103.05453	9.2
105.07024	5.3
107.04912	3.2
110.07188	2.1
116.98663	2.5
119.04939	2.6
119.08612	2.1
121.06512	23.5
123.04417	8.7
125.05867	1.6
132.04422	3.3
132.21758	1.8
133.06461	2.3
134.09619	2.0
137.05952	3.9
147.04433	2.1
149.05994	35.4
151.03899	2.0
157.10190	1.6
161.06012	5.0
163.07573	1.6
164.07149	2.0
165.05589	2.3
165.07037	2.5
166.06285	10.4
167.07053	100.0
168.07407	1.9
171.01407	2.2
180.07854	2.3
181.08601	50.5
193.08473	1.6
193.12326	3.5
201.49802	1.7
210.06735	1.9
211.09641	48.6
222.03474	1.6
238.98474	2.4
267.16205	2.3
285.18640	1.7
285.21997	3.3
285.29745	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02992	0.6
55.05503	1.7
56.05033	0.4
56.58321	0.5
56.96552	0.7
57.03430	0.9
57.07076	0.8
60.05665	0.5
67.05498	0.9
68.05076	0.3
69.03419	0.6
69.07073	0.5
70.06593	13.7
71.04983	0.5
71.22578	0.5
72.05659	0.4
72.08157	17.5
77.76320	0.3
79.05492	0.8
81.03420	3.0
81.07038	1.1
83.05016	0.4
83.08615	1.2
84.08149	8.5
85.02897	1.2
91.05476	0.9
93.07025	0.5
95.04961	1.2
95.08625	0.9
96.08150	0.4
97.02895	0.6
97.07663	8.8
97.08318	0.5
97.08907	2.6
98.09706	2.4
99.09180	0.5
100.11262	2.3
105.06989	0.7
107.04952	0.6
107.08595	0.6
111.04407	0.4
111.08102	0.6
112.07605	0.9
112.08749	2.5
112.11239	0.4
114.10296	34.5
115.10658	0.3
119.08556	0.8
121.02866	0.8
121.10115	0.4
122.03223	0.7
123.08042	0.4
129.07039	0.4
131.04915	0.4
133.10129	0.6
146.10941	0.3
147.08057	0.4
147.11732	0.4
152.14349	1.5
154.15910	100.0
155.16248	1.8
157.10080	0.4
191.03401	1.3
193.12213	1.4
193.60335	0.3
196.18127	2.9
211.13293	0.7
213.20746	42.8
214.21089	0.7
221.06059	0.4
253.08623	0.7
257.04526	0.7
257.19730	19.5
284.05530	0.6
284.20880	1.5
284.29517	1.3
285.03934	1.1
285.11053	0.6
285.17010	1.0
287.05606	0.7
303.50070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61605	0.4
55.02982	0.6
55.05509	2.1
56.96545	0.5
57.03430	1.1
60.05655	0.9
67.05496	0.7
69.03418	0.6
69.07053	0.7
69.51189	1.3
69.51611	1.6
70.06593	12.1
71.04972	0.5
72.08156	17.4
73.84930	0.4
79.05482	0.8
81.03413	2.8
81.07032	1.1
83.04973	0.8
83.08614	1.5
84.08140	8.8
84.70599	0.3
85.02901	1.3
86.09712	0.4
91.05470	1.1
93.07021	0.5
95.04948	1.3
95.08640	0.9
97.02853	0.5
97.06599	0.4
97.07652	8.9
97.08931	2.2
98.09686	2.7
99.09227	0.5
100.11268	1.8
105.07032	1.1
107.04973	0.5
109.10123	0.5
111.08097	0.4
112.07600	0.9
112.08746	2.9
112.11272	0.4
114.10292	36.2
119.08590	0.5
121.02905	0.7
121.10163	0.4
122.03194	0.6
133.10110	0.5
135.11720	0.5
144.12358	0.3
152.14410	1.0
154.15907	100.0
155.16245	1.6
170.45871	0.4
171.18634	0.5
175.11226	0.6
191.03415	0.7
193.12305	1.5
196.13330	0.6
196.18102	3.0
201.51378	0.4
213.20740	43.7
214.21022	0.7
236.82729	0.4
246.90501	0.5
253.08557	0.6
257.19739	20.8
264.49380	0.4
267.15894	0.4
284.05930	0.5
284.15723	0.5
284.20938	0.7
284.29382	1.8
285.04031	1.5
285.10944	0.6
285.16956	1.1
287.05496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	guanosine
Peak:m/z	Relative Intensity
51.29050	0.2
55.01858	0.3
56.96565	0.3
57.03412	0.4
61.02910	0.5
69.03419	1.1
71.35046	0.3
71.35379	0.5
73.02910	0.8
81.03396	0.5
85.02903	1.9
87.04467	0.3
97.02879	1.1
109.02863	0.5
109.05087	0.3
110.03528	1.6
119.01929	0.8
123.03007	0.2
127.03900	0.6
128.04572	1.3
131.01894	0.3
132.04482	0.3
135.03008	2.8
137.02312	0.3
142.84929	0.3
145.03494	0.5
145.04890	0.6
152.05673	100.0
153.04088	7.0
153.05348	0.4
153.06047	0.6
154.33565	0.3
164.07013	0.3
166.22302	0.2
173.03003	0.4
185.02939	0.3
192.78151	0.3
197.84909	0.3
203.85350	0.3
221.05093	0.7
253.75394	0.3
261.02615	0.3
284.29440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05515	0.7
60.95739	0.4
67.05492	0.9
69.03425	0.8
69.07073	0.7
70.06596	100.0
71.06931	0.5
71.37145	1.1
81.03427	4.3
81.07063	0.6
83.05003	0.5
83.08611	0.5
85.02903	0.4
86.09711	0.6
91.05483	0.8
91.11794	0.4
93.07056	0.6
95.04976	1.0
97.02876	0.5
107.08588	0.5
109.02881	8.1
112.07613	71.7
113.07922	0.6
115.18225	0.4
116.07095	1.7
133.10190	0.4
135.03069	0.4
140.07072	24.9
148.74097	0.4
149.32317	0.4
158.08154	3.7
167.06978	0.7
193.12195	1.0
240.15956	2.8
266.10126	0.9
273.19861	0.5
284.11478	2.0
284.18604	2.8
284.29407	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.1
57.03426	2.5
57.07073	4.6
58.01807	1.9
61.02909	4.1
69.03429	10.6
69.07078	12.0
69.58664	18.3
73.02949	2.5
80.05003	2.5
81.03402	5.0
85.02428	3.8
85.02910	61.2
87.08108	100.0
91.03944	2.5
93.19842	2.1
95.04939	3.5
97.02888	15.1
99.04459	2.5
109.02863	4.2
110.07205	2.4
110.30265	2.1
111.46066	2.1
121.02856	5.0
122.03231	3.3
123.04467	6.0
125.10760	3.0
127.03905	14.6
132.04453	9.2
133.06468	2.2
145.04967	20.3
151.01329	2.4
163.06027	6.7
235.02679	3.1
256.16696	2.7
284.05707	3.3
284.29593	17.7
285.07452	2.6
302.12534	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	284.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54675	0.2
56.58757	0.2
59.92658	0.2
61.27307	0.2
64.14600	0.2
70.64130	0.6
82.99882	0.2
84.90372	0.2
90.01675	0.2
93.39214	0.2
98.97575	1.4
101.00893	0.9
101.24582	0.2
104.37474	0.2
108.70415	0.2
110.16441	0.2
116.98647	1.3
117.31802	0.2
118.66605	0.2
119.01929	5.2
134.99706	1.0
137.02975	1.6
153.00832	0.2
158.99812	0.4
177.00955	11.8
178.01103	0.3
179.00760	0.3
182.99945	0.3
193.04074	0.2
200.02585	0.3
201.00957	0.6
217.04092	2.3
219.02013	18.3
220.02168	0.5
221.01877	0.9
225.00865	2.1
237.98584	0.2
242.03627	0.4
242.58847	0.2
243.01979	5.1
260.04871	0.2
261.03067	100.0
262.03149	2.3
263.03458	0.5
266.03607	0.4
278.01083	0.5
279.00507	1.5
284.00183	0.3
284.04663	5.4
302.01105	1.2
302.05930	0.4
303.01050	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03947	5.3
54.26505	3.4
54.35012	3.3
55.01865	6.0
55.05512	32.2
57.03431	8.7
57.07068	15.1
67.05516	28.0
69.03432	9.0
69.07065	32.2
71.05008	24.0
71.08635	9.0
71.59415	4.2
75.73534	3.9
79.05498	29.2
79.47278	4.2
80.98891	3.7
81.03411	4.9
81.07068	56.3
83.04978	12.8
83.08616	17.3
89.06032	6.3
91.05489	34.3
91.14526	4.1
93.07043	60.6
95.04973	17.4
95.08607	30.8
97.06530	11.5
97.10175	8.3
105.07043	78.7
107.08602	49.6
109.06525	18.4
109.10152	30.7
111.04420	8.6
111.08038	5.3
115.05471	6.3
117.07021	14.1
119.08579	55.0
121.02886	4.6
121.06512	12.5
121.10147	99.9
123.08047	18.8
123.11669	8.1
129.06946	11.5
131.08572	39.9
133.10146	34.4
135.08038	15.2
135.11693	25.8
140.69196	4.3
142.07777	6.6
143.08571	30.7
145.10130	53.6
147.08116	5.3
147.11642	9.5
153.12761	6.1
155.08566	4.9
156.09332	6.6
157.10167	23.4
158.10883	8.1
159.08049	4.7
159.11659	19.6
161.09657	32.8
161.13333	6.3
163.07423	3.8
163.11226	11.0
169.10144	12.7
171.11705	14.6
173.09634	4.9
173.13271	61.6
175.11166	8.9
179.08531	4.6
181.10231	5.8
185.13206	11.3
187.14818	11.5
189.12694	6.9
191.14317	4.2
194.10910	5.8
195.11716	6.2
197.13293	7.5
199.14838	12.1
201.16415	6.2
209.13304	20.9
213.16432	6.9
223.14835	9.2
227.12642	8.3
227.14595	6.2
239.17650	4.8
247.08728	4.9
255.21199	6.1
265.19431	25.7
283.15546	8.5
283.20398	100.0
284.29395	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	283.2057
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03946	3.2
55.05291	1.6
55.05508	14.8
56.31390	1.7
57.03425	2.1
57.07057	5.5
58.27753	1.6
65.03951	1.8
65.85310	1.8
67.05505	22.9
68.57008	1.5
69.03426	8.5
69.07069	14.2
71.05000	14.5
79.05488	17.8
81.03417	2.3
81.07059	36.1
83.04976	4.1
83.08611	6.7
88.46757	1.6
91.05485	23.6
93.07049	39.0
95.04985	14.8
95.08614	24.3
97.06516	5.1
97.10177	2.1
98.20767	3.5
103.05487	3.4
105.07033	53.7
107.01445	1.5
107.08602	34.2
109.06521	8.3
109.10155	19.3
111.08099	3.0
115.05407	3.0
117.07008	14.2
118.43314	1.6
119.07790	3.1
119.08582	41.7
121.06491	11.1
121.10146	73.8
123.08057	9.5
123.11714	7.9
125.09597	2.6
128.06157	4.3
129.07004	7.5
130.07794	7.3
131.08575	29.2
133.06581	1.6
133.10127	37.5
135.08090	10.1
135.11682	10.7
142.07787	4.8
143.08580	19.4
144.09360	3.3
145.06461	2.4
145.09039	3.5
145.10127	48.8
146.07219	3.8
147.08028	2.6
147.11693	10.6
149.09598	1.9
149.42824	1.6
155.08519	3.1
156.09308	2.8
157.10120	14.9
158.10875	4.9
159.08052	2.3
159.11684	13.1
161.09627	25.1
161.13258	4.9
163.11182	8.7
165.06976	2.3
167.08553	3.6
169.10106	3.9
170.10904	3.2
171.11725	11.8
173.09608	4.4
173.13268	60.3
175.11214	3.7
175.14828	6.3
179.08623	4.5
180.09317	2.3
181.10126	5.7
183.11670	7.1
184.12492	2.1
185.09590	2.6
185.13239	11.2
187.11201	2.4
187.14828	9.8
189.12788	2.8
191.14224	4.4
193.10158	2.3
194.10896	4.8
195.11667	6.5
197.13264	4.3
199.11122	4.1
199.14879	8.0
201.12674	1.7
201.16351	3.9
208.12450	2.5
209.13239	15.2
210.13954	3.3
211.14873	3.6
213.12718	5.1
213.16386	5.9
221.13092	2.2
223.14835	7.0
225.16376	4.6
227.14458	7.9
235.14871	2.4
255.21048	9.1
261.70706	1.7
265.19537	23.5
283.10056	1.7
283.15643	4.3
283.20560	100.0
284.20898	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01866	4.4
55.05514	10.1
57.03444	9.5
57.07072	2.7
67.05505	13.5
67.88075	0.9
69.03401	1.7
69.07073	7.3
71.04982	3.2
71.59214	1.3
75.11515	1.1
79.05060	1.3
79.05500	20.3
79.77640	1.0
81.03423	1.9
81.07064	13.9
83.04978	4.1
83.08618	5.6
88.50342	1.0
89.06010	1.1
91.05504	8.3
91.11111	1.0
93.03390	1.0
93.07053	30.4
95.04984	5.5
95.08613	29.4
96.08883	1.0
97.02895	2.8
97.06543	3.1
97.10185	1.4
98.08824	1.1
99.04444	3.7
105.07029	7.4
107.04971	10.0
107.08613	24.6
109.06511	2.7
109.10159	3.2
111.08081	1.2
117.07042	8.8
119.08607	10.0
121.06501	4.6
121.10152	11.1
125.06017	2.6
125.62868	1.1
130.07774	1.9
133.10143	1.9
135.08073	2.1
135.11699	36.8
139.07555	2.5
143.08528	1.7
145.10135	24.4
149.09706	1.1
155.08583	1.3
163.11195	51.4
181.12234	13.1
209.11835	1.7
227.12799	100.0
228.13121	4.4
241.19394	1.4
283.15411	35.6
283.20081	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05946	0.5
52.08951	0.5
53.03959	1.4
55.01875	4.2
55.05512	8.0
55.05780	0.5
57.03438	9.7
57.07079	1.1
59.63016	0.5
67.05505	13.6
69.03431	2.0
69.07072	6.1
69.67419	2.9
71.04993	2.1
73.02917	1.4
77.03937	0.6
79.05493	20.5
80.05814	0.6
81.03397	3.0
81.07055	16.2
83.04979	4.0
83.08630	6.1
85.02921	1.5
85.06550	1.2
91.05478	7.5
93.07043	29.3
95.04974	6.3
95.08611	30.7
97.02901	3.9
97.06531	2.7
97.10146	0.8
98.20715	0.7
99.04455	3.6
103.05479	0.9
105.04547	0.6
105.07039	6.0
107.04960	8.8
107.07871	1.1
107.08596	20.4
107.65348	0.5
109.02890	0.7
109.06545	2.2
109.10188	2.8
111.04422	2.9
111.08092	1.5
113.06012	0.8
117.07015	8.5
119.08574	7.4
120.43974	0.5
121.02863	5.8
121.06506	5.3
121.10145	12.5
123.08083	0.8
125.06009	3.2
125.09701	0.6
128.06219	0.6
129.06917	0.6
130.07780	1.5
131.08543	0.7
133.10132	2.2
133.57559	0.5
135.08067	1.8
135.11691	37.2
136.12050	1.0
137.05948	2.8
138.06329	0.8
139.07567	1.9
143.08513	1.0
145.10124	23.1
146.10422	0.8
149.05992	0.6
150.53877	0.5
153.12708	2.4
155.08589	0.6
163.11183	54.0
164.11560	0.8
173.09673	1.4
177.05431	0.7
179.07024	0.7
181.12236	11.8
191.10670	1.0
209.08113	1.2
209.11766	1.9
227.12781	100.0
228.13084	2.9
265.07022	0.7
269.67255	0.5
283.09805	2.1
283.15384	36.6
284.15768	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01855	3.1
55.05516	10.4
57.03436	9.9
57.07052	3.0
67.05178	0.9
67.05512	13.7
69.03439	1.3
69.07073	6.5
69.32381	9.9
71.04986	2.6
73.02895	1.2
77.37060	1.0
79.05071	1.1
79.05497	20.4
81.03416	2.2
81.07060	17.5
83.04970	4.7
83.08614	7.5
90.42168	1.0
91.05476	8.5
93.06491	1.5
93.07050	31.9
95.04980	8.2
95.08613	32.9
97.02878	3.6
97.06506	4.3
97.10174	1.0
98.97588	1.0
99.04446	3.3
105.07056	7.4
107.04980	8.4
107.08599	23.8
109.06496	1.9
109.10143	2.6
111.04423	3.6
111.08060	2.0
114.31158	0.9
116.18398	0.9
116.98592	1.4
117.07040	9.3
119.08604	9.7
121.06499	5.1
121.10133	14.7
125.05988	2.4
127.07562	1.0
130.07819	1.4
130.17673	1.0
131.08572	1.2
133.10088	4.3
134.99649	1.3
135.08032	1.5
135.11700	39.7
139.07552	2.2
145.09044	1.5
145.10133	26.7
149.09563	2.7
153.12733	2.4
155.08577	1.7
163.11192	55.1
173.09602	1.5
181.12250	13.2
183.11557	1.1
191.10623	2.2
209.11671	2.1
227.12788	100.0
228.13174	1.9
236.89641	0.9
283.12363	2.0
283.15366	36.4
283.20569	4.2
284.15680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01876	3.2
55.05515	9.1
56.21446	1.2
57.03440	8.3
65.57359	1.4
67.05511	12.7
69.03424	2.5
69.07073	6.7
70.03744	6.9
71.04968	2.3
79.05067	1.6
79.05500	21.6
81.03421	2.5
81.07056	19.0
83.04961	3.0
83.08627	7.6
89.06039	1.8
91.05478	7.5
93.07050	34.3
95.04959	7.6
95.08617	29.3
95.97017	1.2
97.02901	4.1
97.06509	5.1
99.04457	3.5
105.07010	5.9
107.04907	7.9
107.08604	23.9
109.06544	2.0
109.10136	3.4
111.04472	3.1
111.08055	2.4
117.07035	8.1
118.96870	1.4
119.08584	8.7
121.06501	4.3
121.10147	11.4
125.06036	3.2
131.08586	3.3
133.10152	2.3
135.08055	2.6
135.11694	42.0
143.08597	2.1
145.10120	24.5
153.12680	1.5
163.11197	53.5
181.12230	14.2
209.11543	2.5
227.12793	100.0
228.13202	2.4
262.31314	1.4
283.15402	36.7
283.20502	5.7
284.15900	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.05500	2.5
56.96562	1.1
60.95861	1.2
67.05487	2.7
68.56143	0.7
69.03429	0.9
69.07070	3.3
70.25060	2.3
70.59524	0.7
79.05488	1.5
81.07056	4.1
83.04984	0.7
83.08603	1.3
91.05473	1.7
93.07045	2.1
95.08601	2.7
97.06461	0.7
98.97602	0.8
102.96878	1.0
105.07037	1.5
107.04956	0.8
107.08564	1.8
109.10126	1.9
111.98015	0.7
116.14038	0.7
117.06992	0.8
119.08606	1.0
120.97916	0.7
121.02889	7.1
125.06026	1.3
135.11690	1.2
153.01900	0.8
153.05490	5.3
153.06686	0.9
163.11073	0.8
171.11682	0.8
181.12288	0.8
193.11653	1.7
202.11920	0.8
232.82909	0.7
233.11581	3.3
242.90744	0.7
251.11397	0.8
265.14041	1.6
269.12381	4.5
274.14206	1.3
283.09854	3.8
283.15182	100.0
284.15506	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
53.58947	0.2
55.01862	0.6
55.05504	0.5
56.96578	0.2
57.03451	1.0
57.07066	0.3
61.02913	0.2
65.03941	2.3
67.05500	0.6
69.03073	0.3
69.03434	4.7
69.07073	0.7
69.29263	0.6
69.29683	1.3
70.06590	0.3
71.01354	0.5
71.04980	0.6
73.02920	0.4
76.72702	0.2
79.05511	1.1
79.05888	0.2
81.03423	11.3
81.07073	0.8
83.05004	0.4
83.08627	0.3
85.02908	5.6
89.75194	0.2
91.05486	0.5
93.07043	1.0
95.04974	5.4
95.08618	1.1
96.43243	0.2
97.02888	1.9
97.06528	0.7
99.04465	1.3
105.07011	0.5
105.16278	0.2
107.04948	0.7
107.08622	0.9
109.02887	4.9
109.06519	0.2
109.10243	0.2
111.04435	2.8
115.07625	0.3
117.07026	0.4
119.08582	0.4
121.02872	100.0
121.10140	0.6
122.03163	1.0
127.03932	1.6
135.11681	1.1
139.03902	7.9
145.04965	0.2
145.10114	1.0
146.99541	0.2
151.91435	0.2
163.11177	1.6
173.76956	0.2
177.01782	0.1
181.04884	0.3
181.12231	0.5
195.07993	0.2
209.11755	0.3
220.19720	0.2
223.06056	0.2
227.12773	2.9
255.04973	0.2
256.03189	2.8
265.03058	0.3
265.07086	8.9
266.07721	0.2
283.04352	1.7
283.08252	1.3
283.15387	1.3
283.20264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.8
56.05026	1.1
60.05647	2.2
67.05490	1.7
69.03423	1.0
69.07067	1.1
70.06596	33.9
71.57250	1.1
71.57623	0.8
72.08160	25.8
79.05484	1.4
79.60586	0.7
81.03404	2.7
81.07043	5.4
83.04955	0.8
83.08589	1.3
84.08139	9.8
84.59155	0.6
85.02911	1.4
93.07008	1.4
94.06519	0.7
95.04990	1.0
95.08598	0.9
97.06601	1.1
97.07654	12.4
98.09700	3.9
99.09212	0.8
108.08114	9.2
109.02899	1.5
109.10114	0.7
110.06026	0.8
110.09680	12.4
111.04440	1.1
112.08733	7.0
114.10294	44.8
120.04455	5.6
121.02866	9.5
123.10478	4.1
124.11211	1.5
133.10045	0.8
140.11749	0.8
145.05032	0.7
145.10153	1.2
152.14342	100.0
153.14598	1.7
155.70732	0.7
163.11328	0.7
169.17070	0.9
176.10695	0.8
177.12865	0.7
181.04887	1.2
183.24617	0.8
187.75903	0.7
194.16547	2.6
194.23337	0.7
207.23462	0.9
211.19183	49.7
219.12151	0.9
222.43515	0.7
223.76668	0.8
227.03346	1.0
227.12711	1.2
253.10808	1.2
255.02994	3.5
255.18173	24.8
282.04031	3.4
283.09543	1.2
283.12396	1.0
283.15433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20617	0.3
53.03940	1.3
55.01881	0.7
55.05506	1.2
55.05752	0.3
56.96558	0.3
57.03435	2.1
57.07069	0.4
61.02927	0.4
64.24381	0.3
65.03943	2.2
67.05505	1.5
68.99796	0.3
69.03130	0.3
69.03443	3.9
69.07065	1.3
69.67213	2.1
70.06599	0.7
71.05003	0.5
79.05506	1.8
81.03423	10.1
81.07067	1.8
83.05001	0.7
83.08622	1.1
85.02909	5.7
86.17729	0.3
91.05486	0.8
91.19711	0.3
93.07040	2.6
95.04974	5.6
95.08615	3.0
97.02893	1.8
97.06532	0.8
97.10172	0.3
98.21468	0.6
99.04459	1.4
105.07032	0.9
107.04948	1.0
107.08617	1.7
109.02887	4.1
109.10167	0.5
111.04458	3.1
117.07058	0.6
117.46819	0.3
119.08633	0.5
121.02873	100.0
121.06489	0.8
121.10134	0.8
122.03198	1.6
125.05987	0.4
127.03901	1.5
131.04973	0.3
135.08107	0.4
135.11710	2.8
139.03900	8.0
143.08574	0.3
145.10152	2.1
147.08006	0.4
163.11188	3.9
169.64769	0.3
173.09541	0.3
181.05043	0.4
181.12270	1.3
209.11861	0.6
227.12794	7.4
255.02702	0.5
255.05110	0.4
256.03241	2.2
265.07065	7.0
283.04355	1.6
283.08264	1.2
283.15405	2.8
283.20511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
53.54090	0.4
55.01876	0.9
55.05500	1.3
56.96564	3.1
57.03424	1.5
57.07066	1.3
61.02901	0.4
65.03927	2.5
67.05495	2.0
69.03429	4.3
69.07071	2.8
70.36655	0.4
70.50645	1.7
71.04987	0.7
71.08620	0.5
72.08132	0.5
77.03938	0.4
78.74682	0.4
79.05495	2.2
81.03420	7.7
81.07056	2.9
83.04980	0.6
83.08610	1.6
85.02907	6.4
89.53880	0.4
91.05492	1.5
93.07037	1.9
95.04985	5.1
95.08622	2.3
97.02887	1.6
97.06566	0.5
97.10194	0.7
98.97577	1.7
99.04491	1.0
105.07006	1.3
107.04942	1.4
107.08600	1.5
109.02879	3.3
109.10150	1.7
111.04446	3.6
111.28345	0.4
116.98649	0.8
119.08597	1.1
120.12720	0.4
121.02869	100.0
121.10139	1.5
122.03221	1.6
123.04432	0.7
123.11724	0.5
125.09639	0.6
127.03916	1.3
129.09177	0.5
131.04996	0.9
131.08583	0.6
131.83723	0.4
132.04456	2.0
133.10081	0.5
134.99664	0.8
135.11714	1.2
137.05963	0.9
139.03914	10.4
139.11156	0.4
143.08655	0.5
145.02805	0.9
145.10153	1.1
147.03287	0.7
147.11641	0.4
149.09647	0.6
158.99692	0.6
161.06055	0.7
163.11177	1.1
165.05496	0.6
173.04800	0.5
177.00737	0.6
177.05534	2.2
181.12131	0.5
191.10649	0.5
223.07632	0.9
227.12773	1.0
238.73672	0.5
239.09482	1.3
251.07030	0.6
255.02892	0.7
255.09004	1.0
257.10571	1.7
265.07068	3.8
265.14761	0.5
265.17752	0.6
265.22165	0.6
265.25165	0.5
273.10260	0.8
282.66022	0.8
283.05771	0.8
283.08926	4.2
283.12555	0.6
283.15186	2.3
283.20468	0.6
284.05820	0.7
284.08939	0.5
301.09546	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	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01861	2.5
56.70236	1.0
57.03423	4.4
61.02925	9.6
67.05479	1.4
67.32613	1.0
69.03072	1.7
69.03426	15.8
70.27652	3.8
71.01340	1.0
71.04980	3.3
73.02898	3.8
73.34553	1.0
81.03421	6.2
84.08173	1.8
85.02908	100.0
85.06548	25.6
87.04467	2.1
91.03967	8.9
91.05434	1.1
97.02901	19.4
99.04441	4.8
102.09229	1.1
103.03923	1.8
103.07595	1.8
107.04959	5.9
109.02887	6.6
111.04443	1.0
115.03941	1.8
121.06507	1.7
122.06039	3.1
127.03922	28.8
130.08604	1.1
132.04448	1.3
133.06459	1.1
137.02309	2.4
138.02684	2.2
145.04964	57.9
147.04425	2.7
147.07993	1.2
149.05971	2.1
150.05458	1.6
151.10791	1.0
161.05904	1.2
163.06024	23.3
168.52159	1.1
173.05983	3.8
175.07651	1.3
177.05482	2.0
178.04982	3.1
180.08737	1.2
189.67838	1.0
196.15999	0.9
201.05409	4.0
204.06569	1.2
205.04990	1.9
211.09660	1.1
229.04955	1.2
229.10657	11.4
264.08603	2.7
270.13736	1.0
282.09720	18.7
282.15820	1.1
283.10107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17498	1.7
53.03930	2.1
55.01880	2.0
57.03428	7.5
58.17380	1.6
61.02923	12.0
67.05511	2.0
68.81863	1.9
69.03432	20.5
69.27556	1.7
71.03809	3.6
71.04130	2.2
71.04993	3.3
73.02914	4.5
80.32112	1.6
81.03422	5.5
81.07034	1.8
85.02908	100.0
85.06551	35.2
86.43822	1.7
87.04457	3.1
91.03955	11.7
97.02898	21.7
99.04448	5.8
103.07596	2.2
109.02860	6.9
112.04127	1.8
123.43255	1.8
127.03911	29.9
145.04965	61.3
163.06036	25.4
188.70625	1.7
211.09615	2.4
222.25838	1.9
229.10744	9.9
264.06064	2.0
271.56351	1.7
280.41260	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.6
55.01868	3.0
56.96553	1.5
57.03433	2.0
61.02924	8.1
68.99797	0.9
69.03421	5.3
70.06587	0.6
71.01366	2.8
71.04992	0.7
71.57992	1.3
72.08144	0.7
73.02915	3.6
74.06071	0.7
79.05487	0.9
81.03440	3.5
81.07056	0.7
83.01313	0.6
83.06086	0.6
84.04494	0.8
85.02908	18.8
85.06544	25.6
87.04450	1.2
91.03951	1.6
91.05479	2.7
93.07044	0.6
95.04994	2.8
97.02888	6.1
98.01332	0.5
98.97581	3.2
99.04452	0.7
103.03932	2.4
103.05451	2.5
103.07579	9.7
105.03395	1.7
105.07030	1.6
106.06520	0.7
107.04958	26.9
108.05251	0.6
109.02879	3.8
109.06487	0.7
110.07199	1.2
113.02341	0.8
115.05418	1.2
116.98620	3.0
117.07033	3.4
119.04957	5.2
121.02869	5.8
121.06490	3.9
122.06033	11.4
123.04392	1.0
127.03922	5.0
128.98639	1.2
129.07013	0.6
131.03409	1.1
131.04922	6.5
132.04443	2.4
132.05467	0.4
133.01927	0.9
133.02847	7.8
133.04958	0.6
133.06487	5.8
133.75377	0.5
134.05989	2.3
134.09637	1.3
134.99655	2.2
135.04404	3.7
137.02341	1.8
138.02675	1.2
139.03949	0.7
140.03372	0.8
141.05484	0.8
141.50505	0.6
145.04965	7.8
145.06482	14.5
146.06009	1.1
146.99684	1.5
147.03235	0.8
147.04408	13.4
147.08025	3.5
148.07547	0.7
149.05989	11.6
150.05501	10.5
151.03897	1.7
155.04895	1.0
155.06023	1.2
157.06494	3.9
158.99632	1.2
159.04378	2.8
160.04018	0.6
161.01190	0.8
161.02341	5.9
161.05972	6.3
163.05991	2.0
163.07326	0.6
164.07037	1.2
170.04501	0.9
171.04437	1.2
172.07558	0.8
173.02786	1.3
173.05984	18.4
174.05492	1.6
175.03947	5.3
175.07558	2.5
177.00726	1.8
177.05478	13.4
178.04990	11.6
183.04462	1.6
185.06001	3.1
187.03960	3.9
188.07033	0.8
189.00761	1.0
189.05469	2.7
191.03442	1.6
191.07056	2.4
192.06602	2.9
193.04947	1.3
199.99985	0.7
200.07098	1.4
201.05469	26.8
203.03468	1.0
203.07018	2.4
204.06557	11.1
205.05003	7.6
208.14262	0.6
209.08167	2.0
216.06598	1.6
218.05995	0.5
218.08118	1.3
219.01762	1.0
219.06505	5.5
221.08061	0.7
222.07675	2.5
228.06493	1.0
229.04974	8.9
229.10640	0.8
231.01486	0.7
231.05179	2.5
236.15967	1.3
237.02753	1.6
237.07600	4.7
246.05408	0.6
246.07622	3.4
247.06018	2.0
252.05653	1.0
257.03281	0.7
261.06250	0.6
264.08621	5.9
265.07040	3.5
267.99939	0.6
279.07568	1.9
282.09723	100.0
282.22089	1.3
283.10043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2476
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05513	58.2
57.07083	37.4
67.05510	44.7
68.09745	5.6
69.06721	8.6
69.07072	100.0
69.60809	24.1
69.61228	12.7
71.08619	18.2
79.05482	14.0
81.07055	66.7
83.04984	4.9
83.08618	85.3
85.02867	5.3
85.06532	9.6
85.10162	5.5
91.05460	14.6
93.07045	37.9
95.08610	75.8
97.06509	9.7
97.10176	65.4
99.08080	8.3
105.07019	18.1
107.08573	20.1
109.10143	37.8
111.07983	4.8
111.11723	24.6
117.86531	5.0
119.08596	28.4
121.10135	20.9
123.11740	11.1
125.13261	8.2
133.10107	25.0
135.11693	18.9
137.09636	8.9
137.13278	7.2
139.11162	5.6
143.10667	5.3
147.11685	23.6
149.13272	17.6
150.02695	6.9
151.02811	8.6
151.11183	13.9
151.14812	7.1
153.12746	6.7
161.13235	16.2
163.14798	9.6
165.12744	16.1
167.14330	5.6
175.14908	11.2
179.14342	9.8
179.17943	5.8
189.16341	8.0
193.15916	8.8
197.13318	5.6
203.18036	6.1
207.17497	7.5
213.12862	7.1
221.13354	7.3
221.22652	12.4
245.22652	58.2
256.57275	4.8
263.17709	5.2
263.23727	50.1
281.15701	8.1
281.18964	36.6
282.27902	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	282.0974
Annotation	Fenitropan
Peak:m/z	Relative Intensity
50.30900	0.4
50.58084	0.4
53.03934	0.5
55.01865	2.1
56.62435	0.4
56.96545	1.3
57.03424	1.7
60.04515	0.4
60.93375	0.4
61.02934	7.6
62.59470	0.4
62.62428	0.4
68.99784	1.1
69.03435	4.4
70.06610	0.5
70.71347	1.5
71.01360	2.9
71.04986	0.7
73.02917	2.8
78.04496	0.4
79.05479	0.5
81.03415	2.5
81.07067	0.6
84.96043	0.5
85.02907	16.7
85.06549	7.2
87.04456	1.3
87.99792	0.4
91.03951	2.0
91.05472	1.6
93.07064	0.5
95.01302	0.6
95.04957	2.5
97.02899	4.3
98.97586	2.0
99.04466	1.0
103.03938	1.6
103.05447	2.0
103.07595	3.5
105.03382	1.8
105.07037	1.1
106.06558	0.5
106.14541	0.5
107.04959	19.6
109.02873	2.3
110.07164	1.4
111.04366	0.5
111.07488	1.1
113.02394	1.1
115.05461	0.8
116.98632	1.8
117.07018	2.0
119.04951	5.5
119.08598	0.4
120.08075	0.8
121.02887	3.8
121.03658	0.6
121.06511	4.4
121.08432	0.7
122.05163	0.7
122.06034	10.4
123.04433	0.9
127.03904	4.8
128.98590	0.7
129.07014	0.7
131.03389	0.6
131.04933	7.2
132.04417	2.4
133.02864	7.0
133.04968	0.7
133.06502	4.6
134.06021	2.8
134.09613	0.6
134.99641	1.2
135.04422	4.2
139.03897	0.8
143.00211	0.5
145.04961	7.6
145.06482	13.9
146.06012	1.2
146.99638	1.0
147.04414	12.1
147.08044	1.8
148.07527	0.9
149.05997	13.1
150.05504	7.4
151.03934	1.1
155.04893	1.2
155.06052	1.2
157.06497	3.0
159.04419	3.0
160.03970	0.7
161.01131	0.8
161.02344	5.9
161.05983	5.2
163.06085	2.5
163.07242	0.5
164.07021	0.7
171.04425	1.3
173.05997	14.4
174.05499	1.4
175.03928	4.6
175.07523	1.0
177.00711	0.5
177.05478	13.4
178.03427	0.7
178.04993	12.0
183.04373	1.7
185.05948	2.6
187.03900	3.8
188.07074	1.2
189.05502	2.6
191.03519	0.9
191.07033	1.8
191.54153	0.6
192.06541	2.6
193.05009	1.1
199.04004	0.6
200.07086	1.4
201.05482	16.2
203.03400	1.2
203.06981	1.4
204.06554	10.4
205.04996	6.6
209.08034	1.8
216.06595	1.4
218.08112	1.0
219.06535	3.6
222.07649	1.8
228.06531	1.1
229.04999	7.2
229.10718	1.5
231.05237	0.7
234.07539	0.9
236.15837	1.9
237.02852	1.1
237.07545	2.5
240.71834	0.5
246.05402	0.5
246.07602	2.7
247.05911	2.4
264.06067	1.1
264.08606	4.0
265.07071	2.1
279.07611	1.3
281.71878	0.5
282.09735	100.0
282.16190	3.3
282.22046	1.2
283.10080	1.8
297.08682	0.7
300.06058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.27246	2.7
53.03945	9.8
55.01871	7.5
55.05514	46.4
55.40260	3.5
56.96571	12.2
57.03437	34.9
57.07081	8.0
65.03947	5.4
67.05506	100.0
69.03440	10.4
69.07076	34.4
70.06580	3.8
70.12548	13.4
70.12935	6.3
71.04994	7.1
71.08631	6.0
73.81875	2.9
79.05496	95.5
80.05029	8.0
81.03429	21.6
81.07055	84.8
81.07809	3.0
82.06578	5.6
83.04988	37.3
83.08620	17.1
84.96037	4.0
85.02907	11.6
85.06557	5.0
91.05486	76.9
93.07050	85.2
93.07632	5.6
95.04978	34.3
95.08607	79.8
97.02931	8.3
97.06551	10.9
97.10184	12.2
98.97608	10.8
99.08137	4.2
100.95159	3.5
105.07031	68.0
107.04984	10.7
107.08596	33.8
109.02871	4.2
109.06554	12.5
109.10172	14.2
111.08121	5.9
115.05414	4.2
116.98637	10.5
117.07047	12.6
119.08571	36.0
121.06551	5.5
121.07639	6.2
121.10159	9.0
123.08079	16.6
123.11739	5.8
124.07690	4.3
125.09600	5.8
127.03935	7.1
129.07028	23.3
131.08659	4.4
133.10144	17.9
134.99701	5.2
135.08261	3.6
135.11754	5.6
137.09668	2.9
143.08585	10.9
145.10118	15.0
146.99681	3.6
147.08118	4.2
147.11691	44.1
147.51305	3.2
149.02377	4.1
150.02663	6.4
151.02899	4.3
152.01199	3.0
159.11768	3.2
161.06018	4.9
161.09636	8.8
161.13306	20.0
163.11278	3.8
167.07066	3.9
171.11684	39.9
177.00768	3.6
179.14331	3.7
181.05014	3.4
185.24702	3.0
189.12704	18.0
191.15479	4.2
192.13817	6.6
207.13756	17.9
219.01686	4.7
221.08113	4.2
245.22586	3.9
254.17499	46.1
263.16531	3.9
278.36191	3.4
280.64639	3.8
281.11832	4.3
281.18231	88.4
281.24759	3.1
281.28140	3.3
299.05966	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	5.7
55.01863	8.7
55.05514	36.6
56.96578	4.6
57.03440	33.4
57.07079	9.7
67.05165	6.8
67.05506	95.2
67.47881	3.6
69.03436	3.5
69.07068	20.3
71.05012	8.9
71.32337	4.6
71.32671	7.6
79.05056	6.7
79.05500	100.0
81.03418	19.1
81.07062	75.6
83.04987	34.6
83.08630	11.6
85.06581	4.4
91.04907	4.2
91.05480	82.4
93.07052	82.8
93.07632	6.0
94.06586	11.4
95.04972	32.2
95.08612	49.7
97.02914	4.1
97.06569	4.6
97.10195	8.1
98.97605	5.7
99.08083	4.6
105.07037	61.4
107.04954	13.2
107.08600	30.1
108.08153	3.5
109.06518	10.9
109.10161	15.6
111.08088	5.8
117.06998	12.2
119.04961	4.5
119.08589	38.7
121.06548	6.3
121.07405	3.7
121.10150	7.5
123.08102	12.2
123.11706	5.0
128.22108	3.5
129.07030	24.2
131.08586	7.2
133.10147	20.8
135.08038	4.3
135.11732	6.1
137.05997	4.2
137.09703	4.2
137.13193	3.9
143.08580	9.4
143.09740	3.2
145.10150	13.3
147.08070	7.0
147.11679	47.4
149.02361	7.2
150.02684	12.3
151.02850	7.6
151.07599	4.8
161.09645	8.9
161.13261	14.5
171.11703	32.6
189.12772	13.3
207.13814	16.1
222.14932	7.8
254.17699	7.3
263.16306	6.6
281.17398	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03942	10.1
54.27368	2.2
55.01867	2.4
55.05303	2.3
55.05521	30.7
57.03443	23.5
57.07075	3.7
67.05509	84.2
69.03423	2.8
69.07079	17.3
69.38736	18.5
71.04982	4.8
73.02879	2.6
78.06052	2.1
79.05496	100.0
81.03438	13.5
81.07063	68.1
82.34355	2.1
83.04991	38.9
83.08624	12.3
85.06547	5.9
91.05488	77.8
93.07053	78.1
93.07632	4.8
95.04976	29.8
95.08612	41.5
95.30780	2.0
97.06517	8.7
97.10165	6.1
98.21521	4.6
105.07042	55.8
107.04971	10.1
107.08601	24.2
109.06524	9.2
109.10162	10.4
111.08057	3.8
115.05432	2.5
117.07032	13.5
119.08590	35.6
121.06538	3.3
121.10158	7.3
121.11085	2.0
123.08112	10.8
128.06198	4.0
129.07031	21.8
131.08559	4.8
131.62531	2.2
133.10138	18.2
135.08095	2.9
135.11699	5.0
143.08652	10.3
145.10149	12.3
147.08055	3.4
147.11694	46.3
149.02368	3.6
150.02779	2.8
151.02768	4.8
157.10262	2.3
161.09589	6.3
161.13280	15.0
171.11713	33.7
172.49623	2.1
189.12767	11.7
207.13849	15.8
225.14738	2.2
281.17407	71.7
301.25003	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	279.2321
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03941	1.5
55.01871	1.2
55.05502	6.1
57.07075	7.5
65.03941	2.5
67.05505	100.0
68.05797	1.2
69.07068	9.6
69.10644	1.0
70.13148	2.3
70.13562	4.2
79.05495	12.5
81.07060	99.9
82.07385	1.2
83.04986	1.2
83.08614	6.5
85.06525	1.6
91.05463	3.3
93.07059	10.7
95.08610	84.9
96.08953	1.5
97.06538	2.1
97.10170	3.0
98.21485	1.2
105.07040	2.7
107.08595	6.5
109.10159	29.7
111.08065	1.2
111.11744	1.4
119.08540	3.1
121.02881	1.5
121.10168	9.6
123.08108	1.6
123.11716	17.0
125.81268	1.1
131.08583	4.9
133.10150	3.6
135.11760	5.1
137.13254	13.8
139.07584	1.1
145.10196	1.4
147.11673	3.2
149.02345	41.4
149.09639	1.8
149.13257	3.7
151.14841	6.4
153.12708	1.5
159.11699	2.5
161.13274	2.6
163.11145	1.2
163.14828	2.3
173.13283	7.6
177.12784	2.5
177.16339	2.0
181.12271	2.1
187.14662	1.9
191.14313	2.9
195.13785	3.1
209.15387	5.2
209.46523	1.1
223.16945	3.8
237.18649	1.3
243.21227	2.6
261.22159	3.4
279.23193	35.6
280.23621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.94394	0.9
55.05513	7.0
57.07076	2.0
65.03925	3.0
67.05505	95.9
68.05810	1.2
69.06760	1.0
69.07066	9.3
69.98038	2.0
69.98450	3.7
71.32368	0.9
72.20213	1.0
72.79462	0.9
79.05496	9.4
81.07058	100.0
82.07398	1.4
83.08631	4.9
85.06559	1.0
91.05466	4.3
93.07052	7.8
95.08607	82.6
96.08942	1.6
97.10169	3.5
104.49400	1.0
105.07023	2.3
107.08599	5.9
109.06494	1.3
109.10159	50.1
110.10474	1.5
119.08562	3.3
121.10126	5.3
123.08078	1.6
123.11710	33.6
131.08525	2.5
131.58513	0.8
133.10120	3.1
135.11699	3.8
137.09627	1.4
137.13255	11.3
139.34709	0.9
144.97061	0.9
145.10135	1.3
147.11685	2.0
149.02357	13.1
149.13232	2.5
151.14832	2.7
159.11687	2.3
161.13228	2.1
163.11130	1.1
163.14708	1.2
173.13254	3.7
176.19574	1.1
177.16463	1.4
179.24057	1.2
180.12222	1.0
181.12248	1.6
187.14830	2.8
191.14355	1.1
195.13763	1.8
205.15909	1.0
209.15381	3.1
223.16982	3.3
237.18480	1.8
243.21115	2.7
261.22208	3.7
272.57538	1.0
279.23193	59.6
280.23447	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	280.1546
Annotation	Metalaxyl
Peak:m/z	Relative Intensity
55.05490	0.9
57.07073	1.6
58.07412	0.7
59.44615	0.6
66.40691	0.6
67.05496	0.7
69.70663	3.2
69.71079	0.9
79.05523	0.7
87.51855	0.5
88.26635	0.6
93.06992	0.6
95.08591	0.6
98.09441	0.5
105.07037	1.0
107.08610	0.7
119.08622	0.9
119.25146	0.5
121.08868	1.1
127.65733	0.5
130.06563	0.9
131.07385	1.3
132.08090	3.8
133.08893	4.4
134.09663	6.7
143.08426	0.6
144.08092	1.0
145.08884	6.2
146.09669	5.2
148.11224	16.7
149.02362	7.6
150.02666	8.0
155.00746	0.5
160.11229	74.0
161.08347	0.8
161.11586	2.0
162.12787	11.7
165.11507	2.0
178.64565	0.5
188.10667	1.2
192.13846	66.4
193.14186	2.4
220.13345	100.0
221.13693	4.3
235.07423	0.5
248.12854	27.1
249.13219	0.8
278.89264	0.6
280.15451	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	279.1954
Annotation	Fenoksan
Peak:m/z	Relative Intensity
52.90736	0.4
53.03945	0.7
55.01880	0.9
55.05511	3.2
56.96577	0.5
57.03426	0.5
57.07077	13.3
57.59250	0.4
65.03931	2.0
67.05506	16.4
69.03420	0.8
69.07068	3.3
70.60062	1.1
71.04972	0.4
79.05501	4.7
81.03411	1.4
81.07058	8.2
83.04963	1.6
83.08611	1.2
85.06527	0.7
91.05476	5.1
93.03378	0.7
93.07041	3.7
95.04970	15.6
95.08605	4.4
97.06515	0.9
97.10143	0.7
105.07029	4.3
107.04935	1.4
107.08614	3.0
109.06498	2.1
109.10169	2.1
111.04447	0.5
111.08114	0.8
113.06030	0.4
116.98626	0.6
117.07002	1.4
119.08575	3.2
121.02872	4.1
121.03928	0.5
121.06521	1.4
121.10149	1.9
123.08078	2.5
123.11726	0.8
129.06998	0.6
131.08546	2.3
133.10146	4.2
135.08076	1.9
135.11705	1.6
137.05991	0.5
137.09564	0.9
137.13208	0.4
143.08586	0.7
145.10170	1.9
147.11658	2.2
149.02342	100.0
149.09602	1.5
149.13252	0.9
150.02644	2.0
151.11217	0.7
157.10173	0.8
159.11707	1.2
161.13281	0.6
163.11197	0.7
165.12723	1.0
167.03416	2.8
175.11232	0.7
177.12666	0.5
190.04979	1.5
193.12331	0.9
201.16455	0.6
205.08607	0.9
215.17932	1.0
219.05666	0.7
225.16371	0.6
233.19051	1.1
243.17477	0.9
249.20006	0.5
261.18506	10.9
279.09244	1.4
279.19629	6.6
279.22845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75356	0.8
53.03935	1.5
55.01874	1.3
55.05496	3.1
57.03438	12.7
57.06834	0.9
57.07077	13.5
59.04985	2.0
60.26217	1.0
61.02913	3.0
65.03927	1.4
67.05492	1.7
69.03086	1.0
69.03431	17.3
69.63435	5.6
71.01337	4.2
71.04999	9.1
73.02556	1.5
73.02920	18.4
75.04484	12.8
79.05474	3.7
81.03397	3.0
81.07042	1.3
83.04989	9.8
84.78362	0.9
85.02907	67.4
86.03209	1.0
87.04453	4.2
90.74442	1.1
91.05464	1.3
95.04943	2.9
97.02898	18.8
98.06018	1.6
98.97545	1.1
99.04443	1.5
103.03958	1.1
103.05477	1.3
105.06505	1.0
105.07043	10.7
105.75631	0.9
106.07366	10.4
107.04977	1.2
109.02905	1.7
111.04442	6.1
113.02328	3.6
113.05978	3.3
115.03148	1.3
115.03928	17.1
119.08543	0.9
120.08900	1.4
121.02827	3.4
123.08055	1.7
124.08401	1.3
127.03857	1.7
129.05484	16.3
130.08598	2.5
131.07350	6.2
132.07611	7.7
133.04929	2.6
133.06471	1.2
133.08430	1.4
135.04385	1.3
135.69025	1.1
139.03877	2.2
139.99319	0.9
141.05397	1.3
145.02791	2.1
145.08824	3.9
146.09676	29.6
147.05450	0.9
147.06544	13.0
147.10002	48.0
149.02348	100.0
157.04926	3.0
158.09653	2.4
159.10008	5.8
160.11218	14.6
161.11566	34.7
165.07626	1.7
166.06343	0.9
167.03505	2.1
171.06516	3.8
173.07930	1.2
176.07056	0.9
177.05388	2.8
177.07393	1.5
181.04893	1.1
183.06459	2.1
188.10594	2.0
189.11081	5.8
189.12514	1.0
191.12581	3.4
193.14136	4.2
205.52184	0.9
212.12746	1.0
219.12131	4.6
221.08015	1.5
221.13568	2.4
225.07571	14.6
243.08598	3.9
247.11401	1.5
249.13095	3.1
251.14731	7.2
261.09662	2.1
262.32278	0.9
279.08383	4.1
279.10690	7.2
279.14111	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	279.1229
Annotation	11beta,13-Dihydrolactucin
Peak:m/z	Relative Intensity
55.01878	0.5
55.05514	0.8
56.05037	0.3
56.96566	0.4
57.03432	1.1
57.07082	13.3
60.99147	0.3
61.23714	0.2
65.03947	1.0
67.05504	1.1
69.03439	2.1
69.58851	2.1
70.06588	0.8
71.04987	0.4
76.02215	0.3
79.05481	0.6
81.03420	0.9
81.07067	1.7
83.04959	0.3
83.08632	0.4
84.04494	0.3
84.08138	0.4
85.02903	1.8
86.09707	0.8
87.04486	1.8
89.06033	0.6
91.05483	1.1
93.03413	0.5
93.07027	0.4
95.04980	0.6
95.08598	0.9
97.02901	0.5
98.03612	0.3
98.09702	0.5
98.21516	0.4
98.97594	0.8
103.05484	0.6
105.07014	1.0
106.80908	0.3
107.08588	0.3
109.02905	0.6
109.10162	0.6
111.04437	0.7
115.05468	1.0
115.10963	0.3
116.01698	0.6
116.98655	0.8
117.05482	0.3
117.07036	2.1
117.09143	0.3
118.01225	0.3
119.05010	0.3
119.08607	0.5
121.02888	4.4
121.03870	0.4
123.04447	0.4
128.06261	0.8
129.07016	2.5
131.04944	2.4
133.06520	0.6
134.99689	0.6
137.05966	2.4
141.06999	1.7
143.04936	0.8
143.08585	0.4
144.05690	0.9
145.06499	4.5
147.04471	0.8
147.08061	0.3
149.02359	100.0
150.02644	0.6
151.03941	0.3
153.05914	0.3
153.07027	1.7
155.04988	0.3
155.06058	0.4
155.08556	3.4
157.06517	4.0
158.07211	0.4
159.04408	0.4
159.08130	0.4
160.05229	1.0
161.06015	1.4
162.02261	0.4
162.06609	0.5
163.05986	0.9
163.07605	1.2
164.01755	0.3
165.05804	0.4
165.06990	1.9
167.03418	3.9
168.05664	0.4
169.05106	0.4
169.06442	2.4
170.05705	0.3
171.08070	0.7
172.05197	0.7
173.05963	1.6
174.06784	2.0
175.04028	0.3
175.07576	4.1
176.04674	0.5
177.00740	0.9
177.05501	1.5
177.09125	2.4
181.04985	0.7
181.06473	4.3
182.07275	0.7
183.08109	3.8
184.68315	0.3
185.06032	1.1
186.06740	0.8
187.07568	9.3
189.05566	0.7
189.09093	4.7
190.04839	0.7
190.06450	1.3
191.07056	2.9
191.08592	0.4
193.06927	0.3
193.08658	2.5
195.08066	0.4
197.05968	0.4
197.09688	0.5
199.07568	1.2
200.08420	1.5
201.05484	0.7
201.09149	5.8
202.06323	0.4
203.07085	0.9
203.10663	0.4
205.04749	0.3
205.08612	6.6
207.06569	0.9
207.10226	0.3
208.07549	0.4
209.06403	1.0
210.06808	0.6
211.07576	2.1
212.08351	0.5
213.05710	0.4
213.09149	4.7
215.07268	0.4
215.10652	3.8
217.08670	3.7
219.06490	0.8
219.10220	0.9
221.08113	1.0
223.09721	0.6
225.09196	1.7
228.07881	1.1
229.04939	0.7
229.09755	1.0
231.10101	1.8
233.08124	1.1
233.13683	0.5
235.06142	0.3
235.09724	1.3
237.03029	0.3
243.10220	9.3
247.05966	0.3
247.10712	0.5
249.11273	0.6
251.09264	0.3
261.08017	0.5
261.11209	13.8
262.11298	0.8
279.08804	3.5
279.12460	4.5
279.16763	0.8
279.20471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38011	0.2
53.03950	0.3
55.01869	0.5
57.03437	0.4
59.04996	1.2
69.03405	0.4
70.06589	1.1
70.78014	0.8
73.02911	0.4
75.04479	6.1
76.79826	0.3
77.03951	0.3
79.05499	3.0
85.02908	1.7
87.04462	0.5
91.05473	0.9
95.04962	0.6
97.02883	0.5
98.06053	3.2
103.05463	1.8
103.71171	0.3
105.07030	25.1
106.07359	0.3
117.05771	0.7
119.08575	2.8
121.06496	0.5
123.08071	3.7
129.05515	0.4
129.06984	0.4
130.06512	1.5
130.08647	6.2
131.07312	18.4
132.08099	3.3
133.07602	1.6
133.08728	0.4
140.31133	0.3
143.07318	0.7
144.08084	3.3
145.08865	15.1
146.09648	100.0
147.06575	0.4
147.09972	1.1
148.11195	1.0
149.02367	1.6
149.09537	0.4
157.09067	0.3
158.08461	0.4
158.09650	13.5
159.10451	2.0
160.07674	2.1
160.11217	67.1
161.08434	2.2
161.11542	1.2
162.09123	0.8
162.12770	1.4
172.07538	2.2
174.09149	0.3
175.09976	0.8
176.07057	1.0
186.09221	0.8
187.09933	0.8
188.10698	11.3
190.08611	0.6
190.12257	3.9
191.09436	0.9
192.10193	0.4
192.12074	0.3
192.13831	5.6
194.13954	0.3
218.11755	7.2
220.13327	4.4
246.11270	3.6
248.12805	4.1
250.14398	9.2
278.13876	42.5
279.14240	0.8
280.84924	0.3
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
53.03939	3.3
55.01865	3.3
55.05510	17.8
57.03440	1.9
57.07065	1.5
63.70296	1.8
65.03931	2.1
67.05177	2.9
67.05505	37.1
69.07059	15.1
69.36998	6.1
69.37419	8.6
71.05002	2.2
71.08234	1.6
71.08630	32.3
79.05490	52.4
81.03410	5.6
81.06578	2.7
81.07055	53.9
83.04972	6.2
83.08611	9.0
85.06532	2.0
91.05479	25.2
93.07042	91.3
95.04953	10.7
95.08604	37.0
97.06506	5.9
97.10132	4.0
98.22065	1.3
99.08089	24.7
99.15246	1.4
105.07026	19.3
107.04940	4.2
107.08594	50.1
109.06538	3.1
109.10149	8.1
113.09644	2.0
117.07027	4.1
117.16316	1.5
119.08592	12.6
121.06486	1.8
121.10142	44.9
123.08095	2.9
123.11701	3.1
123.72303	1.3
127.40738	1.5
131.08577	6.2
133.10139	9.4
135.11687	60.4
137.09628	3.0
143.08574	1.5
145.10143	3.1
147.11700	9.0
149.13254	18.6
151.11180	14.4
157.10162	2.0
158.30780	1.5
159.11678	3.3
159.53653	1.4
161.13272	11.0
163.11224	4.2
163.14793	4.6
165.12770	1.6
167.10664	3.9
171.11705	1.6
175.14743	2.8
177.12785	2.9
179.14319	57.7
185.13220	2.3
189.12804	2.5
195.13829	3.3
199.14844	2.0
209.15472	1.7
221.15379	4.4
235.16994	5.6
239.23280	1.6
241.19443	2.5
250.14311	1.5
259.20566	4.8
277.21628	100.0
278.21985	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2528
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03939	1.6
55.01871	1.3
55.05510	14.4
56.96565	1.4
57.07083	10.9
58.06585	1.3
59.04993	2.2
67.05505	33.9
69.03428	2.6
69.07069	30.5
69.27954	10.3
70.06587	1.0
71.04984	3.1
71.08629	3.0
79.05489	16.7
81.07056	100.0
82.07401	1.7
82.14133	0.9
83.04983	2.9
83.08624	16.4
85.02902	1.3
85.06548	3.8
88.07629	3.7
91.05478	7.2
93.07041	27.8
94.07384	0.9
95.04976	3.1
95.08606	75.9
96.08936	1.7
97.02892	1.0
97.06547	5.5
97.10168	9.0
99.08102	2.6
104.07117	1.0
105.07044	7.7
107.08592	28.2
109.06532	1.9
109.10155	59.6
111.04462	1.0
111.08089	5.1
111.11730	4.3
113.09644	1.0
116.98656	1.6
119.08561	6.6
121.10144	16.9
123.04465	1.1
123.08068	2.2
123.11700	19.8
123.12582	1.6
125.09637	2.9
131.08498	1.2
132.10223	1.7
133.10129	7.1
135.11684	12.1
135.59241	1.0
137.05901	0.9
137.09615	1.7
137.13269	11.7
143.08565	1.3
145.10046	1.0
147.11719	5.8
149.02370	3.5
149.13258	18.7
151.03925	0.9
151.11276	1.3
151.14890	1.0
159.11702	2.0
161.09727	1.1
161.13275	2.8
162.60866	0.9
163.03868	1.3
163.05089	1.0
163.14827	7.2
165.12782	2.1
167.14305	2.0
171.11789	1.3
173.13228	1.3
175.11298	1.0
175.14859	3.2
177.16394	4.7
179.10672	1.2
186.18547	6.4
189.16399	2.6
191.17955	1.3
201.16493	1.2
203.17952	3.3
211.13383	1.8
230.21147	3.0
231.09061	2.4
235.16968	3.4
241.19344	0.9
259.09772	1.6
259.20544	2.0
259.24246	3.5
277.08557	1.7
277.14511	1.7
277.18076	4.3
277.21655	5.2
277.25287	29.7
278.18030	1.0
278.23245	19.2
278.26114	1.4
291.44159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03923	4.1
55.05519	15.8
57.07071	4.4
67.05507	32.6
69.07070	13.3
70.06020	8.7
79.05494	70.8
81.07060	35.4
83.08607	8.3
85.06539	2.5
91.05487	25.7
93.07043	100.0
93.72800	1.8
95.04939	7.2
95.08600	22.0
97.06570	2.3
97.10150	4.9
104.65759	2.0
105.07030	13.7
107.08601	50.1
109.06507	3.3
109.10147	13.1
119.08566	9.5
121.10149	45.6
121.11017	2.7
123.08066	3.9
123.11660	2.9
124.33731	1.7
125.09649	1.7
127.80656	1.7
129.06895	2.2
130.36125	1.6
131.08530	4.0
133.10132	13.5
135.11687	51.7
145.10109	4.3
147.11693	8.1
149.09576	3.3
149.13258	23.8
159.11676	2.8
161.13316	3.3
163.14836	5.8
173.13258	2.8
173.50163	2.0
175.14859	2.8
184.65439	1.9
185.13217	2.4
199.14815	2.9
207.13800	2.0
214.77547	1.7
216.99535	1.8
221.15363	3.0
235.16927	5.7
259.20560	3.5
277.21616	88.5
278.67715	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
52.63893	1.3
53.03932	2.9
55.01872	41.9
55.05513	29.4
56.96531	2.1
57.07055	5.9
65.03902	1.6
67.05171	2.7
67.05503	30.0
69.03408	1.9
69.07061	15.3
70.86791	3.0
70.87139	1.9
71.04996	2.9
71.08617	5.7
79.05061	2.2
79.05490	29.6
79.95181	1.3
81.03410	3.2
81.07058	42.0
83.04987	7.3
83.08624	17.2
85.06538	1.8
85.10165	2.2
91.05479	26.5
93.07043	40.6
95.04968	10.9
95.08608	28.5
97.06531	7.3
97.10180	2.4
99.08067	6.3
105.07038	19.9
107.04958	2.3
107.08601	24.3
109.06499	4.6
109.10146	13.5
111.07361	2.7
111.08083	41.4
113.09636	4.6
117.07010	5.1
119.08584	13.4
121.06453	1.8
121.10133	18.8
123.08080	4.0
123.11685	5.4
125.09646	1.6
129.06978	3.3
129.09081	1.5
131.08540	5.3
133.10124	25.0
135.08049	2.2
135.11716	18.8
137.05859	1.6
137.09647	4.0
139.11133	2.1
143.08444	1.6
145.10121	4.2
147.11652	11.0
149.02344	3.1
149.09541	3.6
149.13269	11.5
151.11180	9.0
153.12761	3.8
157.10072	2.0
159.11699	2.5
161.13217	8.0
163.11179	3.9
163.14766	2.0
165.12755	9.5
167.10655	1.8
171.11722	3.4
173.13289	1.9
175.11156	1.8
175.14792	3.8
178.09447	1.6
179.14241	4.6
185.13228	2.8
203.14217	1.9
207.13852	3.4
217.15910	1.7
217.19534	1.9
221.15288	3.9
231.21080	5.0
235.16924	5.4
241.19447	4.5
249.22144	7.0
259.20645	7.5
277.18048	9.3
277.21600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.54128	0.7
51.02375	0.8
53.03944	4.0
55.01870	1.3
55.05516	18.1
57.07062	2.7
57.46007	0.8
65.03931	2.3
67.05509	29.3
67.05869	1.6
69.06730	1.0
69.07071	15.8
70.34956	2.9
71.04987	2.5
77.03926	1.6
79.05496	73.2
81.07063	31.6
83.04977	1.9
83.08615	8.3
85.06551	1.3
91.05486	24.8
93.07047	100.0
94.07339	1.1
95.04970	7.2
95.08612	23.9
95.09229	1.3
96.08896	0.8
97.06532	2.0
97.10154	3.0
97.97954	0.7
105.04478	1.1
105.07033	13.9
106.04027	0.8
107.08602	44.2
109.06509	1.8
109.10165	11.8
111.08102	1.2
117.07013	3.2
119.08589	9.1
121.10149	41.8
123.08026	1.2
123.11709	3.0
129.07014	2.4
131.08566	3.5
133.10127	12.5
135.08115	0.9
135.11697	47.9
143.08603	2.4
145.10126	2.9
147.11690	6.9
149.08484	0.8
149.09612	2.2
149.12187	1.4
149.13275	19.9
154.91408	0.8
157.10149	1.8
159.11707	3.0
161.13275	4.4
163.11122	1.2
163.14862	5.8
171.11691	2.0
171.86655	0.7
173.13286	3.8
175.11217	1.3
175.14830	2.7
177.12749	0.9
185.13248	2.6
189.12733	1.2
193.12286	1.0
195.13824	1.6
199.14824	2.6
207.13811	2.7
209.15411	0.8
213.16310	2.2
221.15364	3.6
231.17404	1.0
235.16873	4.3
241.19547	2.9
259.20569	5.2
277.21637	82.4
278.21964	1.1
278.59366	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12989	0.2
53.03948	0.3
55.05515	10.0
57.07082	15.1
58.79211	0.2
65.03946	0.9
67.05505	1.5
69.07056	0.9
70.04572	1.4
79.05501	1.0
80.05824	0.3
81.07081	1.5
82.07404	0.4
83.04964	0.6
83.08597	0.3
89.00128	0.2
91.05507	1.3
92.05804	0.3
93.03395	0.6
93.07054	1.6
94.07391	0.3
95.08625	1.9
97.06514	0.3
98.20858	0.4
105.07040	1.3
106.07409	0.3
107.08618	0.9
108.08937	0.3
109.10146	1.4
111.04439	1.3
112.04790	0.7
116.04305	0.2
119.08592	0.4
120.08980	0.3
121.02877	4.2
121.03920	0.5
121.10143	0.9
122.10488	0.4
123.04374	0.3
123.11723	0.3
126.81073	0.3
129.07002	1.0
131.08577	1.1
133.10144	0.6
134.10509	0.5
135.11707	0.4
137.13260	0.3
143.04945	0.4
145.06490	0.3
145.10161	0.3
147.11731	0.5
149.02353	100.0
150.02667	0.8
154.13094	0.6
161.05974	1.7
164.11562	1.0
167.03452	1.7
171.73636	0.3
174.10072	0.4
175.07570	5.8
179.10785	0.3
182.12619	0.9
185.06021	0.3
190.05025	1.1
192.11046	1.1
203.07059	9.0
205.08627	1.2
210.12056	0.8
221.08269	0.6
228.13200	2.6
235.17030	0.4
242.14749	1.5
245.81636	0.3
252.87808	0.3
255.82532	0.3
259.16690	0.3
267.93796	0.3
277.08771	0.3
277.14450	5.5
277.17889	1.0
277.20639	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	277.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.28020	0.3
54.90310	0.3
55.01857	0.9
55.05514	15.5
56.96562	0.3
57.07075	2.4
65.03927	0.8
66.45429	0.3
67.05508	3.9
69.03425	0.5
69.07076	2.1
71.04971	0.5
71.08614	1.0
71.59460	0.2
79.05499	3.5
81.07059	5.7
83.04980	0.8
83.08607	1.2
85.06579	0.3
91.05483	2.1
93.03382	0.6
93.07044	4.7
95.04981	0.8
95.08610	5.3
97.06510	0.6
97.10193	0.3
99.08108	0.9
105.07053	1.9
107.04981	0.3
107.08589	2.5
109.06509	0.8
109.10168	3.5
111.04410	0.4
111.08087	0.9
113.09641	0.5
117.06985	0.6
119.08582	2.0
121.02860	3.5
121.06432	0.3
121.10126	2.0
123.08047	0.6
123.11701	1.1
125.52094	0.3
129.07010	0.3
131.08556	0.4
133.10129	1.6
135.11716	1.9
137.09618	0.5
137.13261	0.7
143.08563	0.3
145.10118	0.5
147.08061	0.3
147.11691	1.0
149.02347	100.0
149.13251	1.1
150.02692	0.9
151.03891	0.3
151.11185	1.1
159.11678	0.5
161.13235	0.7
163.11111	0.7
163.14908	0.7
165.12770	0.8
167.03430	2.0
171.11717	0.5
173.13225	0.3
175.11128	0.4
175.14748	0.3
179.10612	0.3
183.92328	0.3
185.13283	0.4
189.12723	0.3
190.05014	1.2
199.14825	0.3
203.07040	3.1
203.14395	0.5
205.08571	2.7
207.13777	0.3
223.04552	0.5
231.21161	0.4
235.16946	0.8
253.72777	0.3
259.20590	0.9
277.08530	0.5
277.14453	4.8
277.18008	1.0
277.21619	7.8
277.24850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29230	0.4
53.41431	0.5
56.05003	0.5
65.97002	0.5
67.64332	0.6
69.03428	0.7
70.06580	2.1
70.93107	1.0
70.93481	1.0
72.08154	0.9
81.03429	0.9
84.04486	2.0
84.08145	7.2
85.02883	2.0
97.02886	1.9
98.09685	0.6
101.00887	2.4
109.02883	0.7
114.05532	1.8
115.02449	0.9
115.03683	0.6
116.07085	0.6
118.01146	1.2
119.01928	12.9
119.02790	0.6
121.01702	1.2
122.14976	0.5
128.07068	0.6
129.10245	1.2
130.04984	1.7
130.08650	1.3
131.01938	3.6
132.95824	0.7
133.03484	3.0
137.02966	1.8
138.09111	0.6
142.04956	0.7
143.01927	1.2
144.10185	0.8
145.03461	3.3
147.03152	0.6
151.04533	1.0
155.01906	0.8
156.02692	3.0
157.03479	6.1
159.05032	0.7
160.02155	1.1
161.02963	4.6
166.01123	0.9
169.03572	0.8
170.87340	0.6
171.03214	1.2
171.05045	1.0
173.02969	0.9
175.04555	4.1
184.02135	3.1
184.09779	0.7
185.02933	1.8
187.04478	1.6
189.04337	0.8
199.04533	3.0
201.06062	1.2
201.12335	2.3
201.15936	0.8
203.03999	1.0
217.05580	5.0
235.06659	8.7
235.16968	0.7
245.05057	0.7
253.07765	6.1
254.07985	0.6
259.13132	0.6
277.02905	2.9
277.09106	100.0
277.14026	2.9
278.08011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33095	1.1
53.03942	1.6
55.05503	1.5
56.05019	3.9
56.96563	7.5
57.03425	2.3
60.05618	2.9
61.02929	6.4
67.05504	6.5
67.26926	1.1
69.03429	6.9
69.07059	2.5
70.06595	14.8
70.98110	1.4
71.01340	3.3
71.04988	2.7
71.06940	1.5
71.07350	1.1
71.59665	1.9
72.08128	4.0
73.02911	2.8
74.00636	3.5
81.03384	3.3
81.07024	1.5
82.06556	4.4
84.04515	7.2
84.08147	100.0
84.96011	1.1
85.02514	1.1
85.02908	12.3
85.06529	2.8
86.09721	1.6
87.04453	1.8
88.03971	3.5
91.03935	1.9
91.05473	1.4
95.04951	2.7
97.02894	7.4
98.06013	1.2
98.97591	11.1
99.04401	1.8
100.03955	3.8
100.07577	1.7
101.00846	5.0
102.05554	1.8
109.02875	2.3
110.97540	2.8
111.04469	1.2
111.09180	2.7
112.08716	2.8
113.00846	1.2
114.05506	1.7
114.10291	1.6
114.63010	1.2
115.02437	1.9
115.08649	1.8
116.03387	1.5
116.07066	3.6
116.98607	7.0
119.01933	22.2
120.01144	5.1
120.01936	1.5
121.01699	7.8
126.12765	1.5
127.03921	3.0
128.07117	2.5
128.98578	3.6
129.10246	20.4
130.04959	3.0
130.08603	4.5
130.09624	1.4
130.12282	6.1
131.00171	1.6
131.01917	6.7
133.03461	9.7
133.05002	1.5
134.99628	3.2
137.02908	4.4
137.17487	1.2
138.05458	1.3
139.02666	3.0
142.08517	1.8
143.01871	5.0
144.10210	15.9
144.13847	5.5
145.03444	3.2
146.99658	6.9
147.03175	1.9
147.04997	1.5
149.01227	1.7
149.02910	1.6
151.04515	1.6
154.08650	2.2
155.01869	4.9
156.06610	2.0
157.03433	4.8
157.86546	1.2
158.99622	2.4
161.02965	18.9
161.04442	2.1
161.12883	12.0
163.02673	1.3
163.04636	1.3
164.07014	1.9
165.00664	4.6
170.05125	2.5
171.04970	1.4
171.11220	3.6
173.01463	1.8
173.02928	11.8
175.04477	6.0
175.11899	2.1
177.00638	3.1
179.05740	1.3
182.07996	2.4
185.02950	8.1
187.04495	3.1
189.04161	1.5
189.13475	1.9
191.03931	4.2
199.04547	1.3
200.09132	3.5
203.03964	3.4
207.01775	2.7
209.09244	2.9
213.06963	1.3
217.05478	2.0
219.01741	2.0
221.05086	2.4
227.10181	4.4
231.13431	2.4
237.02898	6.7
242.10164	1.9
245.05040	3.7
259.06830	3.2
259.13504	5.1
260.05890	2.2
277.03073	26.5
277.07513	37.4
277.13937	51.0
277.17667	3.5
277.21503	1.8
295.03354	1.2
295.06879	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	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.6
53.78021	0.6
56.05042	0.7
56.96575	1.1
58.99878	0.7
59.48738	0.6
60.05657	0.9
69.03434	0.8
70.06583	3.1
71.58147	1.2
71.58609	1.0
77.00892	0.7
80.60997	0.6
81.03441	0.9
84.04510	3.0
84.08147	10.0
84.65862	0.7
85.02892	1.7
86.97607	0.7
97.02890	2.5
98.09694	1.2
98.97611	0.8
101.00887	4.0
108.92785	0.7
109.02930	1.0
112.08778	0.8
113.00870	0.8
115.02452	1.8
118.01134	1.5
119.01141	1.2
119.01930	17.2
120.51237	0.6
121.01671	1.4
128.07007	0.8
129.10222	1.6
130.05006	2.1
130.08664	2.1
130.12315	0.7
131.01938	4.6
132.10185	0.8
133.03511	4.4
137.02962	3.4
138.09187	0.9
142.01158	1.2
143.01923	1.6
144.10181	0.9
145.03458	4.1
147.03209	1.2
147.05060	0.9
151.04594	0.8
155.01920	1.2
156.02701	5.1
157.03508	8.6
158.01807	0.8
159.05093	2.2
160.02206	1.6
161.03001	4.2
161.12846	1.2
163.04633	0.8
169.03502	0.8
171.03253	1.0
171.05075	1.5
173.02979	2.1
174.03775	1.0
175.04564	5.1
175.11974	0.9
179.03981	0.9
181.03423	1.3
184.02196	5.9
184.09564	1.1
185.02943	3.9
187.04533	2.1
188.24992	0.7
188.61092	0.7
199.04550	2.7
201.12332	1.4
201.16057	1.0
202.03206	1.4
203.04025	1.7
213.12340	1.4
217.05608	6.1
221.05150	0.7
231.00935	0.7
234.99031	0.9
235.06657	13.3
235.16939	1.0
245.04948	0.7
253.07703	9.6
258.08469	0.9
259.06339	0.7
277.03003	5.8
277.08557	100.0
277.14117	3.8
278.07703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05494	5.7
56.96540	1.4
60.69946	1.2
67.05489	3.7
69.07063	1.9
70.06577	1.3
71.59707	1.6
73.27298	1.3
79.05501	7.2
80.04995	1.6
81.03380	1.5
81.07050	3.1
83.04970	1.7
85.06536	1.5
91.05476	1.9
93.07038	2.0
94.06593	7.9
94.07089	1.3
95.04932	1.9
95.07329	6.0
95.08594	2.6
96.07565	1.6
96.08139	20.5
97.06507	1.2
98.97553	2.1
106.06557	2.1
107.04943	7.3
107.08546	2.0
108.05261	4.6
109.10130	5.5
110.06023	1.4
110.10465	3.1
111.08025	1.4
116.98607	2.0
119.04980	1.5
120.08141	1.9
120.60674	1.2
123.04471	7.1
123.05182	1.2
127.03954	2.1
128.06195	5.5
129.06987	2.3
130.95366	1.3
134.06003	5.2
137.02306	2.3
138.03059	2.2
141.06995	1.8
143.08542	4.0
146.05991	1.6
147.04352	1.7
150.96930	1.6
152.06194	4.3
153.05450	24.0
153.06966	39.2
154.07455	1.5
155.08508	7.4
157.06448	1.8
159.04387	1.4
159.06810	1.2
163.07443	1.2
165.07014	2.2
166.08713	2.1
170.09641	4.7
171.08032	6.7
174.96820	2.9
177.00684	1.5
181.04921	21.3
181.06476	30.3
183.06654	3.0
183.08087	3.0
184.05121	4.2
185.05983	1.9
186.06799	2.1
187.06233	2.8
188.07039	4.2
198.09160	3.4
199.07552	100.0
200.08037	4.5
201.07687	4.7
201.09407	8.5
216.08054	2.3
216.10184	33.3
217.05067	1.9
217.10648	1.6
218.05194	1.8
226.08463	2.0
227.07063	15.7
230.05556	1.7
231.10104	4.0
244.07481	1.5
244.09767	14.6
259.09665	14.1
276.06357	2.0
276.09406	7.0
276.12265	59.9
276.20084	4.8
276.23874	2.2
277.12579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.02994	3.0
55.05515	0.9
55.90729	0.2
60.05652	0.5
65.86787	0.2
67.05492	0.3
68.05040	0.5
70.06598	19.8
71.06918	0.3
71.60029	0.4
71.60432	0.2
72.05647	0.4
72.08160	40.1
74.13760	0.2
84.04475	0.3
84.08067	0.3
84.59901	0.2
85.02879	0.3
91.05471	0.3
95.06101	0.2
97.02933	0.3
97.07661	25.7
109.02904	0.3
109.75384	0.2
112.08738	8.9
114.10298	100.0
114.75520	0.2
115.10658	0.5
119.04931	0.2
120.08132	0.2
123.04416	0.4
124.95617	0.2
128.82069	0.2
136.03931	1.5
138.05513	0.2
148.03893	0.2
149.01299	0.2
153.06567	1.6
159.29848	0.2
174.96941	0.6
175.77599	0.2
190.08665	0.4
200.69991	0.2
207.11346	1.5
217.09747	1.5
234.98688	0.3
249.13486	23.8
259.11902	0.3
276.14581	12.1
276.76282	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	276.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64950	0.8
55.01871	2.0
55.93515	1.9
56.05045	1.2
57.07075	1.8
58.10580	0.9
60.04514	4.0
67.05511	5.7
69.03442	1.1
70.06590	3.6
71.04987	1.0
71.57922	1.5
72.04533	0.9
72.08156	1.6
72.93796	3.3
78.47453	1.0
84.04470	1.6
84.08144	33.1
85.02890	2.0
85.06542	41.5
86.09722	2.1
87.00826	3.3
90.94846	2.3
95.04942	1.7
95.08618	1.0
97.02883	1.0
97.07640	1.3
97.96190	0.8
102.09178	41.2
112.07603	13.8
114.10300	2.8
116.98638	1.0
124.56576	1.0
125.96145	1.3
126.09139	2.1
130.05032	1.5
130.08667	7.7
131.95042	1.3
132.95839	6.3
144.10194	100.0
144.95863	1.8
148.09668	6.0
148.23964	0.9
149.96115	2.8
150.96899	3.7
155.97479	1.1
162.96907	2.5
167.97408	1.5
172.09657	6.8
174.96887	13.6
180.47867	1.0
186.96982	1.4
187.97746	2.1
190.10738	26.6
191.97174	3.3
192.97955	1.5
198.07718	3.0
201.12242	1.3
215.97171	1.6
216.08783	1.1
234.09775	3.2
234.99089	1.4
240.08713	2.1
258.09818	2.3
275.99316	2.1
276.10986	8.0
276.13748	1.4
277.07480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01867	1.0
55.05497	1.9
67.05490	1.1
69.07030	0.6
71.59541	1.0
79.05503	3.9
80.05008	0.8
85.06556	0.8
86.14422	0.6
91.05480	1.4
94.06573	4.5
95.04964	1.1
95.07350	2.0
96.08142	9.5
106.06546	1.4
108.15098	0.6
113.76175	0.6
115.05431	1.4
121.57957	0.6
123.04379	2.4
128.06216	4.2
129.07002	1.6
131.04922	0.9
131.07231	0.8
131.08531	0.9
132.95850	1.8
134.06004	1.8
138.03041	0.9
138.05516	1.0
141.06908	1.3
143.08604	3.7
145.02861	1.1
145.06503	1.3
145.10052	0.7
147.04378	1.0
152.06180	3.9
153.05475	11.8
153.06976	36.0
154.07680	1.6
155.08553	4.8
157.06470	1.2
159.04411	1.5
160.05208	1.2
160.11234	1.5
161.05956	1.2
169.06456	0.8
170.07260	0.7
170.09586	3.8
171.08029	6.1
173.05954	1.7
174.05527	0.8
174.96889	4.4
175.03923	0.9
177.05492	0.9
181.04932	9.3
181.06483	25.6
182.07152	1.3
183.06638	1.1
183.08057	2.9
184.05226	2.7
185.06003	1.0
186.96895	0.8
187.03830	1.2
187.06282	4.7
188.07042	1.8
198.09117	4.1
199.07542	100.0
200.07959	2.8
201.06023	1.0
201.07799	3.8
201.09131	4.4
202.05057	1.0
205.05003	1.3
209.05960	1.5
215.05754	1.5
216.10190	23.4
217.04924	1.3
226.08630	1.3
227.07022	14.1
228.06978	1.1
231.10179	4.9
244.09726	15.0
259.09705	15.8
271.77899	0.7
276.12311	45.6
277.12701	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.66507	0.5
53.03940	1.1
55.01859	2.5
55.05268	0.6
55.05514	9.2
57.03424	1.2
57.07078	1.1
62.45681	0.6
67.05170	1.0
67.05508	15.0
69.03431	0.6
69.06725	0.7
69.07072	8.5
70.83325	1.3
71.04981	1.2
73.06565	0.5
74.71132	0.6
79.05056	1.0
79.05497	16.0
81.03384	0.8
81.07059	20.2
83.04982	2.3
83.08640	4.5
85.06515	1.4
91.05482	25.7
93.07046	16.4
95.04978	3.7
95.08615	11.6
97.06548	2.8
97.10177	2.0
100.47040	0.6
102.42975	0.6
105.07033	41.2
106.07295	0.7
107.04965	3.0
107.08601	12.3
109.06522	3.8
109.10168	6.2
111.08102	1.4
115.05447	0.7
117.07031	6.6
119.08582	26.3
121.06530	3.2
121.10136	6.9
123.08042	2.2
123.11713	1.7
125.09595	0.8
125.52757	0.5
129.07016	1.5
131.08575	10.7
133.06551	0.8
133.10135	27.7
135.08069	3.5
135.10831	0.6
135.11681	3.7
137.09631	2.8
141.06972	1.1
142.07719	0.6
143.08557	1.7
145.10121	12.0
147.08051	1.0
147.11693	14.7
149.09615	5.2
149.13258	1.5
151.11182	2.0
155.08562	1.5
157.10071	3.0
159.08110	0.6
159.11696	6.9
161.09654	1.0
161.13257	4.2
163.11183	4.6
163.14836	0.8
165.12759	1.3
169.10176	2.2
171.11650	3.2
173.09689	0.6
173.13220	3.2
175.11166	1.1
175.14738	1.3
177.12740	1.6
179.14328	0.9
183.11758	2.0
183.17474	0.7
185.13307	1.4
187.14828	0.9
189.12697	1.2
191.14218	0.8
197.13326	2.7
199.14851	1.3
201.12785	1.2
205.12241	0.6
213.16444	0.8
215.10696	1.9
215.14351	0.6
215.18025	1.1
229.15862	1.0
229.19467	2.9
233.15388	1.1
238.42213	0.6
239.17941	6.7
247.20573	2.3
257.19037	11.4
275.05524	1.0
275.20074	100.0
276.20407	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	1.6
53.66331	0.7
55.01856	2.8
55.05515	11.6
56.17319	0.8
57.03436	1.9
57.07086	1.0
63.39199	0.8
65.03947	1.1
67.05510	15.5
69.03426	1.3
69.07069	5.9
70.65693	1.6
71.05006	1.5
72.56828	0.9
75.93839	0.8
79.05493	16.3
81.03394	1.0
81.07064	22.8
83.04979	1.6
83.08620	7.2
85.06557	0.9
91.05487	28.2
93.07053	18.3
95.04971	4.3
95.08608	14.0
96.37768	0.9
97.06514	2.4
97.10147	2.4
103.05474	1.1
105.07038	32.9
107.04971	12.2
107.08598	11.8
108.08888	0.9
108.61516	0.9
109.06555	4.9
109.10164	6.2
111.08087	1.8
117.07034	8.2
119.08587	24.6
121.06491	4.4
121.10152	6.6
123.08095	2.4
123.11731	2.2
125.09649	1.8
128.92329	0.9
129.06992	2.3
131.08574	10.9
132.60226	1.0
133.06467	1.1
133.10141	23.2
135.08060	3.6
135.11697	2.8
137.09634	2.4
143.08592	1.9
145.10130	12.8
147.08054	2.3
147.11688	16.7
149.09615	13.0
149.13289	2.3
151.11200	1.4
153.09096	1.1
156.72546	0.9
157.10159	2.9
159.11674	7.3
161.09674	1.2
161.13272	3.8
163.11185	5.9
165.12781	1.1
169.10190	2.1
171.11650	1.8
173.09706	0.8
173.13258	3.4
175.11259	1.3
175.14844	1.3
177.12767	1.7
183.11717	2.0
185.13232	0.9
187.11230	1.0
187.14758	1.3
191.14365	1.3
193.12338	1.7
197.13307	2.1
229.19518	2.7
239.17917	5.3
242.44151	0.8
247.20569	2.3
257.19055	9.7
269.07614	0.8
275.20074	100.0
275.27722	6.0
276.20370	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.7
55.01860	3.6
55.05512	12.0
57.03422	1.8
57.07069	1.4
65.03957	1.2
67.05506	17.1
69.03408	1.0
69.07069	8.8
71.04965	1.1
71.46685	1.7
79.05061	1.4
79.05492	18.0
81.07058	22.0
83.04990	2.4
83.08636	6.6
85.06545	1.0
91.05486	27.1
93.06479	1.1
93.07052	18.1
95.04966	4.2
95.08610	14.2
95.09183	1.7
97.06529	3.2
97.10144	2.9
103.05447	1.2
105.07029	39.0
107.04945	3.8
107.08592	11.7
109.06535	5.9
109.10161	6.1
111.08075	4.4
117.06997	8.4
119.08582	23.3
121.06496	3.9
121.10143	10.0
123.08056	3.0
125.09634	2.2
129.07008	1.7
131.08562	11.4
133.06500	1.8
133.10133	28.1
135.08054	4.5
135.11690	4.0
137.09615	2.6
139.11160	1.0
143.08546	2.1
145.06476	1.2
145.10133	14.9
147.08046	1.3
147.11691	14.3
149.09627	13.5
149.13222	1.2
151.11185	2.9
155.08543	1.5
157.10115	2.4
159.08122	1.2
159.11711	8.6
161.09624	2.3
161.13243	3.5
163.11206	6.4
165.12753	1.5
169.10123	1.8
171.11671	2.7
173.13295	5.0
175.11188	1.3
175.14772	1.6
177.12781	2.4
183.11703	2.9
185.13266	1.0
189.12666	1.2
197.13219	2.1
215.17963	1.9
229.15973	1.1
229.19478	5.5
239.17949	9.6
247.20598	4.3
247.91563	0.9
257.18994	14.5
275.20065	100.0
275.27628	6.1
276.20432	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03939	2.8
55.01858	5.3
55.05309	1.3
55.05512	15.1
57.03424	2.1
57.07061	1.7
57.19014	1.1
65.03931	2.0
67.05504	23.0
69.03408	1.3
69.07076	10.5
70.15249	5.1
71.04993	2.5
72.24077	1.2
79.05063	1.8
79.05496	28.0
79.05950	1.9
81.03407	1.5
81.07061	55.0
83.04971	3.3
83.08632	6.5
91.05482	32.8
93.07044	23.6
93.56982	1.3
95.04964	8.1
95.08606	18.3
97.06522	5.2
98.20757	1.7
102.60664	1.1
105.07038	38.4
107.04940	8.8
107.08603	14.9
109.06526	18.5
109.10158	7.6
111.08092	1.3
115.05453	1.5
117.07021	10.2
119.08584	28.5
121.06502	7.2
121.10169	11.7
123.08050	5.1
123.11718	2.8
131.08578	13.2
133.10120	26.8
135.08015	4.8
135.11674	5.8
137.09610	3.7
143.08592	2.4
145.10129	11.0
147.11682	15.7
149.09604	7.9
149.13263	4.6
151.11197	1.8
155.08549	1.6
157.10107	3.5
159.11652	7.5
161.09665	3.1
161.13263	3.7
163.11195	5.6
165.12721	2.8
169.10185	1.3
171.11739	2.4
173.13257	4.5
175.11208	2.1
183.11745	2.6
189.12654	1.9
215.14235	1.4
229.19579	3.3
239.17931	4.2
240.60722	1.3
247.20483	6.0
257.19037	11.6
275.20074	100.0
275.27737	3.8
276.20401	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	1.9
53.64053	0.7
55.01858	1.6
55.05266	0.9
55.05512	11.9
57.03440	1.8
57.07057	0.8
67.05503	15.5
69.03428	1.1
69.07064	7.8
70.71052	1.3
70.71399	2.3
71.04988	1.9
75.62663	0.9
77.03958	0.7
79.05491	17.6
81.03371	0.8
81.07058	23.4
83.04964	2.4
83.08606	5.5
86.76757	0.8
91.05478	32.0
93.07043	15.8
95.04970	2.1
95.08599	13.5
97.06527	1.8
97.10182	1.6
105.07031	46.7
107.04952	6.1
107.08598	11.9
109.06521	5.8
109.10160	5.7
111.08071	1.2
112.90905	0.9
117.07024	9.4
117.07774	1.6
119.08583	25.2
121.06530	1.9
121.10141	6.9
123.08060	4.2
123.11727	1.4
128.06300	0.8
129.06969	3.0
131.08575	12.3
133.06494	1.0
133.10139	28.4
135.08058	3.2
135.11676	5.3
137.09613	2.4
141.07016	1.0
143.08533	2.2
145.10114	13.6
147.08076	0.8
147.11681	16.6
149.09631	7.9
149.13257	1.2
151.11116	1.3
155.08598	1.2
157.10143	2.8
159.11673	8.6
161.09663	1.8
161.13211	4.1
163.11168	3.0
163.14801	1.1
169.10130	1.5
171.11673	2.8
173.13263	3.3
175.11215	2.6
175.14761	0.9
176.18330	0.9
177.12708	1.1
183.11694	3.2
185.13167	2.0
187.11194	1.0
193.12288	1.2
197.13271	2.5
201.12741	1.7
203.14265	1.3
211.14867	1.1
215.14194	1.4
229.19539	1.4
239.17969	5.8
247.20547	2.1
257.18924	9.7
275.04559	0.9
275.20062	100.0
275.27740	15.1
276.20432	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03928	2.5
55.01857	2.2
55.05513	11.0
57.03424	3.9
57.07058	2.5
65.03954	1.2
67.05514	20.8
69.03422	1.6
69.07071	10.4
70.03364	5.1
70.06602	1.3
71.05009	2.0
79.05497	20.5
81.03371	1.9
81.06595	1.4
81.07066	26.5
83.04974	2.5
83.08614	4.7
85.06527	1.7
86.58593	1.2
88.07646	1.4
88.76300	1.1
91.05487	33.9
93.07053	21.1
95.04974	4.3
95.08613	13.3
97.06511	2.8
97.10164	2.5
102.37244	1.1
105.07043	47.4
107.04963	5.6
107.08604	14.2
109.06522	7.1
109.10142	6.8
111.08077	1.4
115.55020	1.2
117.07030	9.4
119.08589	33.3
121.06493	4.0
121.10172	7.7
123.08056	5.0
123.11700	1.8
124.53461	1.3
125.09667	1.9
129.06941	2.3
131.08580	13.2
131.59502	1.1
133.10143	32.4
135.08047	5.7
135.11697	5.9
137.09633	2.3
143.08617	3.1
145.06514	1.3
145.10168	12.4
147.08055	2.2
147.11693	18.4
149.09637	6.7
149.13281	1.4
151.11192	2.5
157.10115	5.2
159.11700	9.2
161.09583	2.8
161.13275	6.2
163.11235	2.6
167.08521	1.4
169.10098	1.9
171.11671	2.5
173.13266	4.6
175.11205	1.7
175.14883	2.0
177.12814	1.4
183.11755	1.8
185.13164	2.3
187.11079	1.9
197.13263	1.5
198.78642	1.3
203.14247	2.3
215.14452	1.8
215.17908	1.3
220.14732	1.4
229.19617	2.1
239.17969	5.2
247.20586	2.4
257.18997	10.6
257.26706	1.3
275.20084	100.0
275.27786	16.3
276.20377	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.3
53.11470	0.6
55.01870	3.3
55.05516	11.2
57.03440	1.2
57.07058	2.0
65.03928	1.8
67.05174	1.0
67.05507	16.9
69.03429	1.1
69.07076	8.9
69.77233	0.5
70.06580	2.6
70.84680	1.9
71.04974	1.7
71.06959	0.6
79.05064	1.0
79.05499	18.7
81.07061	19.0
83.04974	2.1
83.08629	5.4
85.06546	0.9
88.07628	2.2
89.07969	0.8
91.05485	37.0
93.03381	0.6
93.07053	16.7
95.04977	4.3
95.08614	12.6
97.06517	2.2
97.10162	2.7
103.05475	1.8
105.07037	56.6
106.08688	1.2
107.04969	6.0
107.08591	12.1
109.06506	2.9
109.10175	6.2
111.08087	3.5
115.05432	1.5
117.07030	11.4
119.08588	34.2
121.06553	2.9
121.10147	6.5
123.08083	2.3
123.11711	1.8
125.09612	1.4
129.07007	1.8
130.07761	1.8
131.08568	14.4
132.09389	0.7
133.06506	1.0
133.10138	41.2
135.08057	5.5
135.11693	3.8
137.09599	2.2
141.07002	0.6
143.08560	2.2
145.10118	11.4
147.08031	1.1
147.11696	15.0
149.09613	6.2
151.11188	1.6
155.08519	1.7
156.89096	0.6
157.10139	2.6
159.11719	7.8
161.09615	1.4
161.13293	4.7
163.11224	3.9
165.09070	0.7
165.12715	1.1
169.10112	0.7
171.11707	2.4
173.11966	0.9
173.13196	3.7
175.11209	2.4
175.14783	0.9
177.12772	1.2
179.10654	0.6
181.12050	0.6
183.11694	1.8
185.13231	1.1
187.11177	0.7
187.14873	1.1
189.12721	1.2
191.14531	0.7
193.12091	0.6
197.13251	1.4
201.12796	1.0
201.16347	0.7
202.32703	0.6
215.14153	0.6
215.17940	1.4
219.13896	1.0
229.19539	2.2
233.15471	1.0
239.17975	4.0
247.20621	2.7
257.18961	8.3
257.26685	1.5
275.20081	100.0
275.27768	24.8
276.20413	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03947	1.2
55.01872	3.2
55.05511	12.6
57.03427	1.0
57.07078	0.9
59.05023	0.7
65.03941	0.6
67.05505	14.8
69.03436	0.9
69.07067	8.4
69.93842	3.2
71.04986	2.4
79.05495	16.6
81.03427	1.4
81.06578	1.1
81.07062	21.8
83.04980	1.9
83.08296	0.5
83.08620	5.4
85.06524	1.1
85.45544	0.6
88.02123	0.7
91.05482	33.9
93.07047	15.0
95.04984	3.5
95.08610	11.8
97.06519	3.9
97.10175	2.2
99.08083	1.2
103.05441	0.9
104.06247	0.8
105.07035	41.8
107.04945	5.0
107.08602	13.8
109.06505	5.1
109.10155	6.8
111.08089	2.0
117.07015	7.9
119.01921	1.0
119.08591	25.6
121.06491	2.4
121.10150	7.2
123.08078	2.6
123.11694	2.6
125.09657	1.6
129.07014	2.1
131.08583	12.5
133.06544	1.4
133.10132	29.4
135.08063	2.9
135.11687	3.3
137.09616	1.8
143.08565	2.7
145.10120	12.8
147.08051	1.5
147.11697	16.8
149.09634	6.7
149.13257	1.8
151.11206	1.0
155.08525	1.3
157.10107	3.2
159.11674	7.9
161.09627	1.9
161.13249	3.7
163.11197	4.6
163.14769	1.2
165.12804	1.1
167.01764	1.4
169.10155	1.3
171.11749	1.9
173.09639	1.0
173.13293	3.5
175.11176	1.5
175.14798	1.1
177.12787	1.1
183.11719	1.5
185.02933	0.7
187.11208	1.3
187.14758	0.9
189.12822	0.7
191.14351	1.0
193.12355	1.7
197.13217	1.2
203.04008	0.8
215.14265	0.7
215.17946	1.1
217.15829	0.6
229.16013	1.0
229.19511	1.9
239.17931	3.9
247.20537	2.1
257.19037	9.4
275.20074	100.0
275.27829	3.1
276.20490	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03953	1.3
55.01877	3.3
55.05514	11.7
56.05803	0.5
57.03430	1.9
57.07077	2.4
59.04993	0.6
63.10436	0.5
63.67605	0.5
64.07538	0.6
65.03932	0.6
67.05507	17.9
69.03419	1.9
69.07069	6.7
69.71323	3.5
70.06580	2.3
71.04979	1.9
71.06954	0.5
71.08641	0.6
79.05499	17.4
81.03411	1.6
81.07057	17.4
82.07394	0.6
83.04978	2.9
83.08611	4.3
83.09055	0.7
85.06563	0.8
88.07620	2.9
89.07987	0.7
91.05484	23.6
93.07049	19.6
95.04974	5.9
95.08060	0.7
95.08617	12.3
97.06538	2.2
97.10164	2.2
99.04396	0.7
102.09163	0.8
103.05453	1.0
105.07034	36.2
106.08665	1.4
107.04970	5.0
107.08593	13.1
109.06532	3.7
109.10168	8.8
111.04410	0.6
111.08067	1.7
113.16644	0.5
115.05441	0.7
117.07016	7.0
118.96960	0.5
119.08586	20.8
121.06506	3.3
121.10152	8.2
123.08092	2.7
123.11693	1.6
125.09673	1.3
129.07004	1.8
130.07802	0.8
131.08574	11.6
133.06497	1.3
133.10135	23.3
135.08069	3.2
135.11710	4.1
137.09618	2.3
141.06981	0.7
143.08566	2.5
144.09337	0.7
145.10129	12.9
146.94728	0.5
147.08054	2.1
147.11700	12.3
149.09625	18.8
149.13254	1.1
151.11171	1.3
153.09164	0.8
155.08543	1.0
157.10170	1.9
159.08076	0.7
159.11711	5.3
161.09613	1.6
161.13292	3.8
163.11206	6.2
165.12813	0.8
169.10107	1.6
171.11697	2.3
173.09668	1.0
173.11850	1.0
173.13170	2.8
175.11160	1.6
175.14781	1.0
177.12762	1.6
179.14415	0.6
181.12323	0.6
183.11708	1.7
185.13239	1.4
187.11168	1.0
187.14761	1.0
191.14200	0.9
193.12408	0.6
197.13278	2.1
199.14758	0.7
201.12756	0.9
205.12207	1.0
211.14833	1.0
213.16357	0.7
215.17987	0.9
217.15820	0.6
229.15776	0.8
229.19521	2.6
233.15326	0.8
239.17952	6.1
241.22891	0.5
247.20589	2.2
257.19016	11.3
257.26660	1.8
258.19397	0.6
268.28619	0.5
275.20074	100.0
275.27771	24.6
276.20343	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01867	3.7
55.05510	10.5
57.07054	2.9
65.03913	2.0
67.05505	16.5
69.07073	7.7
71.58807	2.2
79.05495	19.7
81.07059	29.6
83.04958	4.6
83.08613	6.5
91.05482	27.7
93.07050	18.1
95.05024	3.4
95.08612	13.8
97.06532	5.6
97.10193	3.7
101.63230	1.7
105.07029	36.3
105.07677	3.0
106.90628	1.5
107.04939	5.7
107.08599	14.2
108.72451	2.1
109.06519	9.0
109.10156	6.2
111.08063	1.9
117.06992	6.9
119.08594	28.1
121.06499	6.0
121.10151	9.5
123.08083	5.8
129.07047	3.9
131.08559	12.3
133.10143	31.7
135.08049	4.5
135.11691	3.7
137.09636	2.9
143.08569	2.1
145.10143	14.7
147.08098	1.7
147.11717	14.7
149.09619	8.2
149.13170	2.6
151.11200	2.6
155.08629	2.4
157.10146	4.6
159.08011	1.9
159.11699	9.9
161.09660	2.3
161.13264	4.6
163.11201	6.8
165.12659	2.7
167.51515	1.7
169.10172	3.6
171.11812	3.1
173.13287	4.9
177.12669	1.8
183.11601	2.6
185.13208	1.6
197.13177	2.3
201.12828	1.9
229.19443	2.6
239.17976	8.5
247.20634	3.3
257.19037	10.7
275.20081	100.0
275.27777	7.1
276.20377	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.15393	0.8
53.03944	1.5
54.33027	0.7
55.01858	2.5
55.05511	9.9
57.03447	1.7
57.07076	1.0
65.03930	0.8
67.05504	14.3
68.05779	0.7
69.03423	1.7
69.07071	8.7
69.57439	4.1
71.04978	2.2
71.08624	0.8
79.05075	0.8
79.05501	15.2
81.03429	1.4
81.07060	24.8
83.04977	2.7
83.08615	5.5
85.06541	1.9
91.05485	23.6
91.06064	1.1
93.07050	14.7
95.04977	4.4
95.08613	12.1
97.06518	2.5
97.10156	1.8
99.08075	1.9
103.05446	1.2
105.07033	35.5
107.04954	5.5
107.08595	12.1
109.06519	7.3
109.10149	4.1
111.08057	2.0
117.07007	7.0
119.01954	0.9
119.08585	22.2
121.06496	3.3
121.10149	7.3
123.08067	2.6
123.11703	1.7
125.09650	1.2
125.47644	0.7
129.07021	2.3
131.08588	11.1
133.06506	1.0
133.10136	22.3
135.08035	3.2
135.11674	2.8
137.09628	1.6
139.11256	0.8
143.08578	2.2
145.03436	1.3
145.10139	11.5
147.08139	0.9
147.11707	15.8
149.09613	4.9
149.13235	1.3
151.11174	1.5
153.09056	1.0
155.08539	1.7
157.10136	2.3
159.11693	7.8
159.37083	0.7
161.09621	1.7
161.13278	3.9
163.11154	4.2
163.14847	0.9
165.12793	1.3
169.10100	1.2
171.11682	3.0
173.13261	3.7
175.11211	1.8
175.14781	1.2
177.12735	2.1
179.14355	0.8
179.53452	0.7
183.11697	1.6
185.13341	1.6
187.11195	1.5
190.80301	0.7
191.14287	1.4
192.83020	0.8
193.12251	0.9
197.13176	1.1
201.12811	1.3
203.04066	0.8
213.16293	0.8
215.17886	0.8
229.19556	2.0
239.18015	4.0
247.20572	1.7
257.19031	10.0
275.20068	100.0
275.27844	2.0
276.20367	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
55.05503	1.9
56.96380	0.7
56.96570	7.7
57.03426	1.5
60.05399	0.9
60.05653	10.0
61.02934	1.9
63.49237	0.8
67.05500	1.1
68.05025	1.0
69.03420	2.9
69.76266	4.3
70.06597	59.8
70.98119	0.9
71.04993	11.9
72.08161	6.5
73.02918	3.0
74.02448	2.3
81.03427	1.9
82.06594	1.7
84.04494	1.6
84.08126	2.1
84.96053	1.0
85.02905	6.4
86.06067	1.2
86.09738	1.1
87.04441	1.5
88.03987	2.5
88.07646	2.2
94.73949	0.9
95.05009	1.0
95.06100	8.2
97.02910	5.5
97.07670	4.8
98.06038	1.9
98.20890	1.2
98.97589	10.9
99.04451	1.1
100.03986	8.8
100.07624	1.8
101.00879	1.2
101.02396	4.6
101.67677	0.9
105.29604	0.9
107.00163	1.1
108.04467	1.3
109.02908	1.5
110.97566	1.8
112.02099	0.9
112.07607	1.5
112.08737	15.1
113.02377	20.6
113.03192	1.3
113.03524	1.7
113.07144	3.5
114.10309	1.7
115.08696	7.0
116.07107	13.5
116.98642	7.0
118.05014	4.5
119.01949	9.0
120.01143	1.1
120.01973	1.8
122.06031	3.1
124.07587	1.2
125.07133	3.3
126.05535	1.4
126.12813	2.0
127.03909	3.1
127.13114	1.6
128.98625	3.4
130.08685	1.9
130.09767	4.4
131.00192	1.4
131.01884	2.3
133.03526	2.2
133.04968	1.4
134.99664	4.5
137.02966	2.6
140.07248	1.1
140.08173	5.6
141.18129	0.9
143.05536	1.0
145.03468	3.8
145.04990	1.5
146.99641	3.1
147.05096	1.2
152.07091	6.2
154.08650	2.9
157.03409	1.4
158.09267	8.6
159.05095	2.6
161.01291	0.9
161.02933	1.4
163.04515	1.8
165.00725	1.7
169.03397	1.2
170.08167	2.9
172.09697	6.3
172.10977	2.0
172.97653	1.1
173.02936	1.4
175.11925	25.3
177.00720	2.5
185.03030	1.5
185.06683	1.1
186.03555	1.1
187.04488	4.8
189.02470	1.5
190.98659	3.0
193.00278	1.2
194.09363	1.4
197.09178	4.9
198.07677	4.8
203.04027	1.3
203.07692	1.2
208.99709	1.9
212.10329	4.2
214.11905	3.2
215.04034	1.8
215.10313	2.5
216.08675	5.6
219.01804	4.4
221.05122	1.9
222.08754	2.5
227.07857	1.3
229.05655	1.9
230.10223	1.1
231.14551	7.6
232.99646	1.3
233.05067	1.3
233.99402	1.4
237.02696	5.9
240.09816	5.3
245.04922	0.9
251.00793	2.5
257.11517	1.7
258.10876	1.9
274.97635	3.0
275.06857	5.1
275.10968	8.7
275.13544	100.0
275.20099	3.5
276.00208	1.2
276.13919	2.1
292.98642	4.1
295.07007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1352
Annotation	N2-Succinyl-L-arginine
Peak:m/z	Relative Intensity
55.01879	1.1
55.05500	1.3
56.96557	2.2
60.05648	7.7
61.02926	1.5
67.77216	0.7
68.05022	1.0
69.03426	2.4
70.06595	59.9
71.04997	8.3
71.57713	0.8
72.04505	1.4
72.08152	5.4
73.02909	3.2
74.02439	1.9
81.03429	0.9
82.06586	0.9
84.08134	2.3
85.02907	3.2
88.04026	1.4
88.07626	2.4
95.06097	9.7
97.02877	2.2
97.07643	2.7
98.06063	1.2
98.97567	3.0
99.02660	0.9
99.04428	1.0
100.03982	9.0
101.00875	1.9
101.02372	5.1
112.08734	14.6
113.00733	0.9
113.01673	1.4
113.02378	12.8
113.07120	3.9
114.05516	1.2
114.10295	1.9
115.08692	5.9
116.07104	13.8
116.98608	2.3
118.05009	4.0
119.01933	6.8
122.06044	1.1
125.07105	2.8
126.05485	1.3
127.03856	1.4
127.13168	1.0
128.98599	1.7
130.09761	3.4
131.00235	1.1
133.03471	1.5
133.04951	0.9
137.02983	1.4
140.08182	5.9
145.03429	2.9
146.99605	1.8
149.01233	1.0
152.07076	6.3
154.08667	1.6
157.03473	0.8
157.10782	0.8
158.09233	5.9
159.05038	1.7
161.02977	0.8
165.00745	2.2
170.08174	1.9
172.09659	1.5
173.02957	1.4
175.11923	27.7
175.13423	1.7
177.06137	0.9
187.04527	1.4
189.02477	1.1
194.09242	1.4
197.09216	5.6
198.07610	4.5
199.55939	0.8
203.04012	1.4
204.04039	0.8
207.01746	1.3
212.10229	2.6
215.04111	0.8
215.10228	1.4
216.08775	5.6
219.01732	1.5
221.05150	1.3
222.08777	3.1
231.14561	1.9
237.02814	2.3
240.09821	6.4
257.12378	1.6
258.10931	2.3
275.13513	100.0
276.13885	1.5
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	Hexadecasphinganine
Peak:m/z	Relative Intensity
55.05524	0.3
57.07078	6.4
58.06593	0.3
62.06057	0.3
66.32246	0.2
70.06594	9.2
70.12196	0.8
70.12592	0.5
71.08632	2.4
79.05486	0.4
85.10172	0.7
86.06023	0.3
88.07633	13.4
91.05472	0.4
102.09182	3.4
105.07040	1.2
106.08665	7.2
119.08582	0.6
131.08582	0.4
133.10132	0.5
145.10107	0.8
147.11691	0.6
212.23746	0.7
230.24686	0.6
238.13777	0.3
256.26358	6.5
268.14542	0.3
274.27405	100.0
275.20053	2.7
275.27728	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	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02387	0.1
53.03946	0.5
55.05511	0.2
57.07050	0.1
61.09419	0.1
63.91716	0.1
67.01846	0.2
67.05505	0.3
67.83098	0.1
69.71444	0.8
70.06591	0.1
77.03895	0.2
79.05497	1.2
81.07072	0.1
85.02895	0.5
85.06544	0.2
91.05453	0.3
93.07034	0.2
95.04955	1.0
97.06491	0.2
98.21539	0.1
103.41515	0.2
105.04568	0.2
105.07040	0.3
107.04957	100.0
108.05283	1.2
109.10159	0.2
119.08575	0.3
121.04847	0.1
121.06484	0.2
121.10120	0.2
123.04443	0.5
127.03906	0.9
145.10091	0.2
146.34256	0.1
147.11687	0.2
149.05992	1.2
151.03899	1.7
163.41290	0.1
169.04970	10.8
170.05249	0.2
181.04955	0.2
181.10321	0.1
196.28697	0.1
257.19183	0.2
275.05597	0.5
275.09174	2.6
275.20062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0917
Annotation	Fomajorin S
Peak:m/z	Relative Intensity
55.01866	6.3
55.05500	1.8
55.93517	1.4
56.96549	4.0
67.05487	2.5
68.99795	1.3
69.07059	1.8
69.69794	8.6
70.06601	1.7
71.04969	1.3
75.06244	1.1
79.05463	1.7
81.07045	1.6
85.02911	1.5
91.05484	6.7
93.07043	3.1
95.04969	2.1
95.08570	2.9
97.02852	1.4
98.97619	2.0
103.05441	3.0
104.06225	1.5
105.03375	1.5
105.07011	4.2
107.04964	1.2
107.08591	2.6
109.10133	1.9
109.20354	1.1
115.05437	15.1
116.06236	3.4
116.98663	1.9
117.07011	4.7
118.04160	3.3
119.04932	2.1
119.08579	3.0
123.11720	1.3
125.31429	1.1
128.06215	3.2
129.03365	2.9
129.07014	6.2
130.07753	2.8
131.04910	5.9
131.08571	5.4
132.05698	5.7
132.95854	1.6
133.06494	2.0
133.10143	3.0
134.99672	1.8
140.06204	2.2
141.06987	42.3
143.04967	7.5
143.05940	1.7
144.05711	9.4
145.06487	10.3
145.10165	1.4
146.03613	9.6
147.04393	3.2
153.06985	2.9
155.04935	7.2
155.05989	1.5
155.08548	2.8
156.05707	1.4
157.02876	8.1
157.06487	11.5
158.03629	1.5
158.07292	7.3
159.04417	5.3
159.08041	10.5
160.05211	8.1
161.05991	17.2
165.07001	4.1
168.05708	8.8
169.06491	37.0
171.04419	14.1
171.08002	1.8
172.05231	6.1
173.06009	7.1
173.09618	2.7
174.03143	3.9
174.96844	2.2
175.03925	2.8
175.07542	5.6
176.04715	3.8
177.05473	6.2
179.07071	1.6
179.48128	1.3
183.04410	2.9
183.08086	5.4
184.05069	1.3
185.05951	8.7
186.06773	20.6
187.04219	1.4
187.07544	15.4
188.04681	5.3
189.05457	22.4
190.06256	5.4
191.07022	19.7
196.05222	6.2
197.05978	34.7
198.06627	3.0
199.03923	8.6
199.07545	1.4
200.04716	10.6
201.05418	6.3
201.09090	13.1
203.07062	13.0
204.07741	6.7
205.08618	3.5
209.95734	1.4
211.07452	7.3
213.05461	5.2
214.06245	14.9
215.03836	1.5
215.07040	33.4
215.09105	1.6
216.07707	1.6
217.05014	7.9
219.06500	1.4
219.10165	2.1
224.04922	1.2
225.05412	5.9
226.06340	4.2
228.04268	2.3
228.07663	1.7
228.97542	1.6
229.05202	5.7
229.08575	26.9
231.06516	19.0
232.07283	6.8
233.08095	1.8
233.98076	2.4
239.07036	3.7
242.05800	10.9
243.06546	27.1
244.07224	1.7
245.04498	13.8
245.08127	1.8
247.09668	30.1
251.99034	2.6
257.08096	26.2
260.06830	48.7
275.06140	3.9
275.09149	100.0
275.20102	5.4
276.09406	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	274.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.6
56.96555	3.2
58.06569	1.8
65.06819	1.4
67.60014	1.4
69.03436	2.0
69.46665	1.3
70.02958	1.8
70.06580	6.9
71.06120	1.4
71.57471	2.0
72.04528	2.1
73.04020	4.4
81.03368	1.4
83.04946	1.5
84.04497	7.7
84.08145	2.2
85.07671	6.8
87.05573	2.6
98.97583	5.0
99.05585	4.3
105.07043	2.0
106.06535	3.5
107.08630	2.3
108.04483	3.7
109.06557	1.8
112.08758	2.0
113.07121	21.7
116.98623	4.4
119.08589	1.6
119.18893	1.5
120.08105	3.2
124.06361	2.2
125.07099	3.2
128.04994	1.9
129.06601	30.0
129.07507	2.6
130.06532	40.5
130.12923	1.7
132.04449	7.7
134.06021	20.2
134.99670	1.6
141.06610	12.1
145.06078	3.0
146.06010	34.9
153.06575	3.1
157.07617	41.3
158.06026	22.7
158.08182	1.8
158.99669	2.0
175.08691	17.0
176.02330	2.4
177.00725	2.0
181.06049	2.7
183.09180	4.5
184.07558	2.5
185.07121	6.2
201.10287	7.7
201.11841	1.5
211.08775	2.0
223.09229	1.6
228.11292	18.5
239.08179	2.0
246.25797	1.4
256.10822	100.0
274.07169	8.1
274.11893	42.6
274.27350	5.1
275.04858	11.6
275.14703	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2579
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03932	2.8
55.05505	14.3
57.07077	10.7
67.05508	23.4
69.07075	34.1
71.08646	2.4
71.58804	3.2
77.30835	2.0
79.05482	9.2
81.07062	67.4
83.08617	14.9
91.05475	13.4
93.07053	32.3
95.04935	1.9
95.08611	70.4
97.10178	11.0
105.06516	1.8
105.07050	20.0
107.08598	48.2
109.06532	2.0
109.10163	58.2
111.02925	2.2
111.11716	5.4
119.04934	5.3
119.08583	21.3
119.81291	1.7
121.10155	45.7
123.11720	40.2
126.34215	2.0
133.10136	15.3
135.11714	27.0
137.13268	14.3
147.04413	15.8
147.11673	17.6
149.13269	47.0
151.14818	8.5
151.26514	2.2
153.01836	33.4
156.04225	73.0
159.11703	3.6
161.13278	27.5
163.14847	31.3
165.16385	4.9
175.14836	13.3
177.16426	16.4
185.13300	2.6
186.73256	2.0
189.16360	16.3
191.17943	10.0
203.17950	18.6
217.19516	29.5
220.33221	2.2
227.07074	2.1
245.54959	2.0
255.17552	2.5
273.07547	31.8
273.18484	5.4
273.22668	5.4
273.25778	100.0
280.53101	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93521	10.7
56.96555	5.7
59.19836	2.5
63.97185	2.2
69.03427	2.8
69.68507	18.4
70.06594	6.9
72.93806	3.1
79.05508	2.5
84.04512	4.6
84.08145	2.5
85.02911	2.9
86.60683	2.5
91.05499	2.8
98.09667	4.3
98.97586	5.4
116.98631	4.2
124.07629	2.7
130.06433	2.4
141.86034	2.3
147.04385	3.6
154.02281	2.7
173.04869	2.8
189.87509	2.8
191.95085	3.6
197.49121	3.5
208.95329	42.2
209.96114	26.6
223.94063	8.2
226.96384	31.0
227.97173	100.0
232.97733	51.0
241.95114	10.6
245.98343	3.3
250.98796	70.6
251.99092	3.5
274.00339	11.2
274.27368	6.4
297.76855	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	273.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
56.96555	2.0
57.03418	0.6
60.05644	3.5
61.02905	0.6
68.05018	0.8
69.03423	1.5
70.06597	19.9
70.71066	0.6
70.71439	2.0
71.04982	1.7
72.08162	15.4
73.02923	1.0
78.11463	0.5
79.94837	0.5
81.03430	0.6
81.07065	1.4
82.06564	0.5
83.06081	0.6
84.08142	6.3
85.02916	3.1
95.06075	1.0
95.08610	0.7
96.04493	1.0
97.02883	1.2
97.07665	5.8
97.08910	2.0
98.03598	0.6
98.09677	3.3
98.97594	2.3
107.08546	0.6
110.06033	0.6
110.07186	3.2
111.05569	2.1
111.07521	2.5
111.47985	0.5
112.08743	5.3
114.10299	29.6
114.18790	0.5
116.07086	2.6
116.98618	1.5
123.04454	0.5
124.11214	1.4
126.12800	100.0
127.03986	1.1
127.13122	0.9
130.09732	2.1
131.96248	0.5
132.04445	4.6
133.04820	0.9
134.99670	1.1
137.02332	0.7
138.09157	0.8
147.04398	0.9
148.03917	1.1
152.14406	1.1
153.01871	2.0
155.04694	0.7
158.05618	0.9
158.09297	0.8
161.01250	0.7
168.13799	0.6
168.15019	3.1
169.17073	1.2
170.11833	0.9
175.11920	6.0
177.00729	0.8
185.17630	31.8
189.00832	0.5
196.09711	0.5
209.14850	0.8
211.19231	1.9
227.02020	0.5
227.15880	1.4
229.16609	24.8
237.02835	0.6
241.13120	1.0
251.04469	1.7
255.15039	1.6
255.18108	0.8
269.05417	1.0
273.09506	18.8
273.11716	1.8
273.16339	6.5
273.19287	7.8
273.22147	0.7
273.25839	0.7
274.09918	1.2
293.05600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03939	1.7
55.05492	4.6
56.96560	1.1
57.03414	1.5
57.07055	3.0
59.04987	1.9
65.03910	1.5
67.05508	8.0
69.03426	2.4
69.07055	5.4
70.72147	3.9
71.04974	4.0
77.95826	1.1
79.05499	8.1
81.07066	9.8
83.04988	2.7
83.08604	3.6
85.06533	3.0
91.05492	10.8
93.07050	9.1
95.04440	1.9
95.04975	22.9
95.08603	8.9
98.97575	1.9
99.08091	1.9
105.07037	17.7
107.08604	11.3
109.06522	29.5
109.10155	9.7
111.08076	3.7
115.05452	1.8
117.07005	6.2
119.08577	22.7
121.06538	1.5
121.10137	7.1
123.07194	1.4
123.08076	22.5
123.11688	3.6
125.09660	2.1
128.06201	1.8
129.06985	4.6
130.07750	1.8
131.08569	18.7
133.10146	10.1
135.08035	6.1
135.11678	2.3
137.09650	8.3
141.06973	2.7
142.07797	7.9
143.08594	11.2
144.09315	3.0
145.09032	2.4
145.10132	34.6
147.04391	2.8
147.07999	7.0
147.11702	14.6
149.09612	3.5
151.07552	3.8
151.11160	4.2
153.01822	2.8
153.06976	2.1
155.08554	4.3
156.09329	8.0
157.10139	24.2
158.10878	4.2
159.08066	4.8
159.11696	15.7
160.08844	1.6
161.09622	4.7
161.13303	3.2
163.11276	2.0
166.07698	1.3
167.08578	1.9
169.10162	6.7
170.10898	3.5
171.11703	20.7
172.12457	1.6
173.09641	11.0
173.13266	21.1
174.10342	2.2
175.11188	11.3
177.12683	2.4
179.10658	1.8
181.06462	1.9
181.10089	3.4
182.10904	2.1
183.11710	5.2
185.13232	9.6
186.10498	1.5
187.11185	14.7
187.14838	5.5
189.12753	15.5
189.16382	1.9
195.11687	3.9
196.12494	2.2
197.13258	12.5
199.11183	10.7
200.11902	2.0
201.12735	2.0
203.14345	4.4
207.11699	1.7
211.14856	4.9
212.15697	2.5
213.09258	1.5
213.12711	5.2
213.16367	12.3
215.14355	31.5
217.12204	8.9
222.14098	1.4
225.12674	2.3
227.17917	2.6
229.15840	2.9
231.13731	1.4
231.17447	12.1
237.16354	3.8
240.15311	1.5
243.13712	1.7
245.18945	1.5
255.17471	31.6
273.07581	4.4
273.18494	100.0
288.97559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03946	1.7
55.01867	3.5
55.05259	0.5
55.05513	6.8
57.03426	0.8
57.07066	1.0
58.68365	0.4
60.87664	0.5
61.43845	0.4
64.33048	0.4
65.03918	0.5
65.90812	0.4
67.05504	12.3
67.27981	0.5
68.60941	0.4
69.03409	1.0
69.07076	4.6
70.18684	2.1
71.04983	1.5
79.05058	0.8
79.05495	10.9
79.05936	0.4
79.11837	0.5
81.03401	1.5
81.07053	13.1
83.04982	1.7
83.08596	2.5
85.06542	1.3
91.05482	17.7
93.03363	0.6
93.06464	0.8
93.07039	11.4
95.04963	4.1
95.08601	8.1
97.06533	1.6
97.10178	1.2
103.05445	1.1
105.07034	19.4
106.10308	0.5
107.04971	3.3
107.08591	6.1
109.06497	2.8
109.10184	3.5
111.08066	0.7
115.05429	1.3
116.06232	0.8
117.07011	8.0
117.07760	0.9
119.04937	1.8
119.07789	0.9
119.08582	12.6
121.06511	6.4
121.10126	3.5
123.04488	0.6
123.08088	3.2
123.11662	0.5
125.06000	0.9
125.09628	0.6
128.06218	2.0
129.07001	6.1
129.89285	0.5
130.07779	2.2
131.04948	0.6
131.08572	15.4
133.06494	8.8
133.10127	9.0
135.08051	4.0
135.11656	1.8
137.09613	1.4
141.07007	0.6
142.07779	1.7
143.08554	8.5
144.09360	1.2
145.06509	2.1
145.10130	13.8
146.07196	0.6
147.04350	2.3
147.08043	9.5
147.11676	5.5
149.09647	2.9
149.13216	0.5
151.11172	0.9
153.01830	5.0
155.08531	1.8
156.04239	1.4
156.09334	0.9
157.06485	0.9
157.10138	6.4
159.08063	4.0
159.11691	5.4
161.09625	10.9
161.13248	1.8
163.07524	0.7
163.11162	2.0
167.08609	1.1
169.10143	1.7
171.08063	1.0
171.11671	6.5
173.09601	1.8
173.13271	1.6
175.11168	5.8
177.09122	1.2
177.12740	0.8
179.19897	0.5
181.10101	1.0
183.11719	0.6
185.09583	1.4
185.13245	2.2
187.11209	1.7
187.14832	0.6
189.12744	2.1
191.10704	0.9
195.11673	1.2
199.11249	2.4
199.14839	0.5
203.14355	0.8
203.17940	0.7
209.13213	0.6
211.14861	0.8
213.12740	1.7
213.16409	0.9
217.12189	1.5
226.81885	0.6
227.17935	4.1
231.13875	0.9
231.17511	1.4
237.16380	1.6
245.19014	10.2
255.17474	8.7
273.07510	4.1
273.18494	100.0
274.18918	0.9
274.27341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03945	1.6
55.01862	5.6
55.05513	12.1
57.03431	2.7
57.07085	5.7
59.50513	0.8
59.78214	0.8
61.89067	0.8
65.03933	1.5
67.05509	17.2
68.66209	0.9
69.07074	8.9
70.06593	6.1
70.96517	2.2
71.04993	2.4
71.08632	1.8
79.05500	17.5
81.03415	1.5
81.06582	1.3
81.07058	19.0
83.04976	2.8
83.08637	5.4
85.06539	1.5
88.07639	8.4
91.05486	29.3
93.07047	19.2
95.04993	5.0
95.08611	10.1
97.06538	1.8
97.10164	3.1
98.97633	1.0
102.09193	2.0
103.05450	1.4
104.84517	1.0
105.07035	28.6
106.08658	3.7
107.04973	5.7
107.08595	14.1
109.06528	3.6
109.10115	5.7
111.08102	1.1
115.05462	3.2
116.06251	1.2
117.07026	18.5
119.04930	2.4
119.08580	22.3
121.06502	5.4
121.10163	6.8
123.08070	4.1
123.11691	2.4
125.09614	1.6
128.06227	4.1
129.07030	9.8
130.07790	1.8
131.08571	25.2
133.06503	10.1
133.10124	16.2
133.28836	1.0
135.04295	1.1
135.08057	21.3
135.11687	1.6
137.09604	3.0
142.07809	2.8
143.08566	14.2
145.06488	3.5
145.10124	27.3
145.11288	1.4
147.04433	2.8
147.08046	18.8
147.11639	4.7
149.06050	1.3
149.09619	9.3
151.07597	1.3
151.11186	2.6
153.01851	10.9
153.07019	1.6
155.08568	2.6
156.04279	1.3
157.10127	9.5
159.08015	5.0
159.11678	10.6
161.09618	14.8
161.13246	2.3
163.03896	1.0
163.07455	0.9
163.11177	3.9
165.09200	1.4
169.10104	3.4
171.02850	1.1
171.08113	0.9
171.11711	7.0
173.09711	4.3
173.13260	2.8
175.11227	6.4
181.10143	2.4
183.11664	1.9
185.09610	2.3
185.13246	2.8
187.11198	3.2
189.12718	3.2
195.11737	2.8
197.13246	1.4
199.11183	2.3
199.14867	1.8
209.13184	1.3
211.14825	1.9
213.16423	2.8
217.15971	2.4
227.17986	4.9
231.17442	2.3
237.16374	7.6
245.18958	7.6
255.17462	18.3
256.26343	2.7
273.07581	7.4
273.18509	100.0
274.18732	1.0
274.27420	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03941	1.5
55.01878	3.8
55.05516	7.7
57.03425	1.5
57.07064	0.8
58.70458	0.4
59.76244	0.4
65.03956	0.8
66.15715	0.3
67.05510	14.7
69.03439	2.0
69.07069	5.0
70.85565	1.2
71.04983	1.7
77.09997	0.3
79.05061	0.7
79.05498	11.3
81.03425	2.2
81.07062	13.8
83.04986	2.2
83.08629	3.0
85.06528	0.6
91.05483	18.3
93.07053	14.1
95.04981	4.1
95.08613	8.2
97.06516	1.3
97.10150	1.0
99.08101	0.7
103.05466	1.7
105.07037	21.5
107.04971	4.0
107.08593	7.6
109.06506	3.6
109.10145	3.3
111.08082	1.1
112.04733	0.4
115.05459	1.6
116.06264	0.8
117.07025	8.2
119.04934	1.4
119.08583	13.5
121.05647	0.7
121.06507	9.2
121.10174	2.9
123.08089	2.9
123.11631	0.9
125.06018	0.6
128.06256	2.5
129.07010	7.3
130.07791	1.5
131.05028	0.5
131.08569	15.5
133.06512	8.2
133.10141	8.7
135.08064	4.1
135.11685	1.3
137.09587	1.0
141.06992	1.3
142.07794	2.1
143.08569	8.5
145.06496	2.5
145.10124	13.6
146.07312	0.5
147.04337	0.6
147.08051	10.0
147.11708	4.0
149.06009	0.5
149.09636	3.2
149.13199	0.5
153.01855	2.1
155.08568	1.8
157.06514	1.3
157.10138	7.0
158.07231	0.5
158.10909	0.5
159.08061	4.2
159.11684	5.5
161.09628	11.3
161.13168	1.8
163.07475	0.9
163.11198	1.8
165.09091	0.5
167.08537	0.7
169.10120	1.5
171.08029	1.0
171.11716	5.2
173.09680	2.0
173.13254	1.5
175.11217	5.5
175.14877	0.6
177.09111	1.1
177.12704	0.8
179.10860	0.4
181.10130	1.3
183.11737	0.7
185.09590	1.1
185.13232	2.6
187.11218	2.0
187.14790	0.5
189.12746	1.7
195.11668	1.7
199.11209	1.9
199.14781	0.7
201.12781	0.5
201.16331	0.5
203.17987	0.6
205.12245	0.6
209.13301	0.6
211.14813	0.7
213.12769	1.4
213.16417	1.3
217.12271	1.2
227.14395	0.5
227.17941	3.2
231.13882	0.6
231.17444	1.4
237.16368	2.2
245.19040	9.0
255.17505	7.0
257.75284	0.4
273.07559	1.5
273.18506	100.0
274.18887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05258	0.4
55.05513	4.3
56.05038	3.2
56.96560	0.7
57.03411	0.4
57.07075	0.4
63.02720	1.8
67.05501	0.8
68.05023	0.5
69.03421	0.9
69.04550	1.5
69.07072	0.8
69.82385	1.0
69.82815	0.7
70.06597	3.7
71.04999	0.5
72.08143	0.4
74.06082	0.9
75.01499	0.2
79.05473	0.8
81.03402	0.4
81.07053	1.5
82.06574	0.3
83.04978	1.1
83.08632	2.3
84.04523	0.4
84.96012	0.4
85.02886	0.9
85.10187	2.4
86.06065	1.4
89.03900	0.3
91.05474	0.9
93.07042	1.0
95.05030	0.3
95.06094	3.3
95.08597	1.1
96.04531	0.4
96.08097	0.3
97.02888	0.4
98.97565	1.7
99.10464	0.4
102.05537	1.9
105.07030	0.4
107.08607	0.8
109.10137	0.6
110.09689	3.7
111.04464	0.6
111.08121	0.3
112.11250	14.8
113.03478	0.4
114.05527	6.3
116.98643	1.2
117.03357	0.4
119.04942	0.7
119.08584	0.6
121.06509	0.5
121.10190	0.5
123.04472	0.3
123.11709	0.4
125.03726	0.3
126.12810	2.3
127.03929	0.5
128.07121	0.4
129.05502	0.3
131.08601	0.3
134.99675	0.7
135.04407	0.7
137.05995	0.3
138.12762	1.4
139.12321	0.5
140.14357	0.8
141.06900	0.3
142.07825	0.2
143.00165	0.2
145.10168	0.3
147.04408	0.9
149.05959	0.5
151.07567	0.3
153.01822	1.8
153.05510	0.3
153.06992	0.6
154.03157	0.3
156.10242	2.0
156.13849	5.1
157.10170	0.4
158.99709	0.6
161.01266	0.6
163.03912	2.0
165.07059	0.4
165.13876	1.6
177.00755	0.8
179.03427	1.0
181.06500	1.1
184.13341	100.0
185.13728	1.3
201.05247	0.5
203.06940	0.3
211.14429	22.1
213.05478	0.3
213.09064	0.9
219.01764	0.4
229.09703	0.2
237.02850	0.5
241.08549	0.9
245.08125	0.3
247.07491	0.3
253.09978	0.3
262.10809	0.6
273.03860	0.4
273.07504	2.3
273.11768	1.6
273.16296	4.0
273.61624	0.4
291.04001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	0.9
55.01880	2.5
55.05519	7.6
57.03425	1.0
59.05000	0.4
65.03927	0.4
67.05173	0.7
67.05510	9.9
69.03429	0.9
69.07076	4.8
69.97458	2.0
71.04984	0.6
79.05064	0.5
79.05501	8.5
81.03406	0.7
81.07063	9.2
83.04980	0.9
83.08621	2.0
85.06535	0.7
91.05486	16.7
93.07042	7.1
94.07409	0.4
95.04972	3.4
95.08046	0.5
95.08611	6.3
97.06528	1.4
97.10160	1.5
99.08127	0.4
103.05474	0.8
105.03407	0.4
105.07036	13.8
107.04961	2.7
107.08607	4.4
109.06512	1.7
109.10165	3.8
111.08062	0.9
115.05466	1.8
116.06214	1.2
117.07024	11.9
117.82656	0.4
119.04936	1.3
119.08589	13.4
121.06535	2.5
121.10159	2.4
123.04419	0.4
123.08075	1.1
125.09633	0.6
128.06241	2.2
129.07001	6.8
130.07819	2.2
131.08575	27.8
132.05707	0.6
133.06473	3.4
133.10127	4.6
135.04405	0.5
135.08072	2.9
135.11700	1.2
137.09604	0.8
141.06982	1.2
142.07759	1.9
143.08569	7.7
144.09364	0.5
145.06505	2.2
145.10133	20.3
147.04411	1.0
147.08060	9.0
147.11716	2.3
149.09631	1.7
153.01776	1.8
155.08588	1.5
156.09378	0.5
157.06487	1.0
157.10152	7.1
158.10881	0.7
159.08083	4.3
159.11685	6.4
161.09622	7.4
163.07568	0.5
163.11122	1.7
165.06895	0.4
167.08591	0.6
169.10126	1.1
171.08023	0.9
171.11681	3.9
173.09642	1.9
173.13269	1.1
175.11179	5.5
176.26306	0.4
177.09114	1.5
177.12805	0.5
181.10126	1.2
183.11725	0.7
185.09529	1.9
185.13275	1.2
187.11174	1.3
189.12836	0.9
195.11705	1.8
199.11194	2.6
199.14778	0.6
203.10626	1.2
203.14253	0.4
205.12288	0.5
209.13235	0.5
213.12733	1.0
213.16420	1.0
217.12303	0.7
227.17935	3.3
231.17519	0.5
237.16385	3.8
245.19060	2.9
255.17474	8.9
258.05325	0.9
273.07629	4.9
273.18506	100.0
274.18787	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.2
53.03939	1.2
55.01866	2.6
55.05499	2.1
56.54684	1.0
57.03446	5.1
58.02072	1.0
60.05633	2.4
61.02927	8.5
69.03430	10.8
69.07080	1.3
70.06596	64.6
71.04654	1.3
71.05000	17.5
71.58356	1.4
72.08164	11.7
73.02917	10.6
81.03413	5.2
81.07047	1.3
84.04523	1.4
84.08105	1.4
85.02428	1.7
85.02914	30.2
87.04467	2.3
88.03998	1.3
91.03949	2.5
93.05577	1.5
95.06082	3.1
97.02895	13.6
97.07635	3.0
98.03561	12.1
98.06075	1.3
99.00814	15.2
99.04444	3.4
101.00928	1.3
109.02884	3.0
109.10159	1.3
110.07168	5.3
111.07487	4.2
112.08714	5.7
113.07114	2.4
114.10290	2.5
115.08688	3.3
116.03431	9.0
116.07097	12.4
117.05432	1.5
119.01917	5.1
119.04956	1.8
121.54816	1.1
123.02901	1.7
126.12828	5.8
127.03939	10.3
128.03415	7.1
129.65855	1.0
130.04976	2.6
130.09770	1.3
131.01898	3.0
132.04466	1.5
133.03461	1.3
137.06003	1.1
138.03430	1.7
140.04556	4.0
142.05000	1.9
143.01923	13.1
144.03366	1.4
145.04988	5.5
147.04477	2.2
150.05492	2.0
152.04469	1.3
152.07005	1.3
153.01842	7.7
153.03954	2.4
155.01907	5.3
158.05640	14.2
158.09151	1.6
161.02966	17.1
162.03145	2.0
162.04463	1.6
167.08182	1.6
168.06564	9.0
170.08131	10.4
173.02995	13.0
174.04530	2.6
175.11882	1.4
183.05080	6.5
185.02942	3.9
191.04050	2.3
192.05515	7.3
193.03610	2.2
194.01982	1.8
194.55815	2.1
195.05148	13.2
195.07642	3.4
196.03482	2.6
198.99254	1.3
203.04015	13.5
203.56433	1.9
204.04291	2.5
210.08806	1.7
213.08736	6.6
214.07117	21.0
215.04005	1.7
221.05057	2.2
229.16621	1.3
230.30269	1.2
231.09929	1.1
233.05009	2.9
237.06194	1.5
245.05124	4.4
251.04269	1.5
255.07333	3.2
255.13657	1.5
256.09250	3.6
263.06076	9.4
273.08597	8.6
273.11935	100.0
274.09833	1.2
275.05997	1.6
293.23840	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01878	0.3
55.05518	0.5
55.43369	0.2
56.96560	0.9
57.03413	0.3
65.03948	0.4
67.01864	2.5
67.05485	0.5
68.99787	1.8
69.03437	1.8
70.06604	0.3
71.57419	0.3
73.43719	0.2
77.05170	0.2
77.60645	0.2
79.05488	0.4
81.03410	0.7
81.07070	0.9
83.04981	1.0
84.96105	0.2
85.02919	0.7
85.70214	0.2
87.08118	0.3
91.05489	5.9
93.50512	0.3
95.04974	2.8
95.08601	0.4
97.02903	1.8
98.97590	1.0
99.04438	0.3
103.05460	0.2
107.04942	2.1
107.08623	0.3
109.02879	0.5
111.00784	0.7
111.04463	0.5
116.98609	0.5
119.04949	15.7
119.08568	0.4
120.05259	0.3
121.02881	1.5
121.06515	1.1
123.04444	4.4
125.09601	0.4
127.03955	0.7
128.98640	0.5
129.01877	0.3
134.29405	0.2
134.99672	0.5
135.11781	0.3
140.04704	1.0
147.04416	44.2
148.04753	0.9
151.03946	1.6
153.01834	100.0
154.02185	1.1
155.04828	0.3
155.07068	0.5
157.06523	0.3
159.11748	0.3
161.01250	0.3
161.06062	0.4
163.07648	0.3
170.99672	0.3
171.02904	5.7
171.04292	0.3
179.03369	0.9
181.06488	0.9
184.03658	0.7
189.05510	0.9
195.79048	0.2
199.06015	1.0
207.06383	0.2
208.51797	0.3
209.80612	0.3
213.05659	0.2
213.09117	0.3
217.05135	0.9
231.06593	0.6
237.02858	0.3
238.03026	0.4
241.08502	0.5
245.04440	1.0
252.09424	0.4
255.02829	0.3
255.06549	0.8
273.07578	89.6
274.07855	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	273.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.1
53.03927	1.0
55.01873	1.2
55.05496	2.7
56.05018	0.8
57.03424	2.5
60.05640	2.5
61.02939	3.3
68.05032	0.8
69.03437	4.4
70.02939	0.7
70.06597	57.8
71.01347	1.0
71.04997	19.1
71.22119	1.5
72.08160	10.2
73.02929	3.1
74.02414	1.5
81.03413	2.0
81.07056	0.8
84.04481	0.9
85.02912	15.0
95.04929	0.9
95.06076	3.7
97.02898	6.5
97.07653	2.8
98.03526	5.3
98.06051	1.7
98.09674	0.9
99.00816	14.5
99.04454	1.6
101.00890	0.7
109.02899	1.2
110.02402	0.7
110.07200	1.3
111.02887	1.1
111.07510	1.5
112.08747	6.9
113.07132	2.2
114.05508	1.0
114.10269	2.3
115.08689	4.3
116.03456	7.9
116.07095	5.4
119.01945	3.1
119.04961	0.9
123.04445	0.6
126.12793	2.8
127.03925	4.9
128.03461	7.6
130.05000	1.9
130.09787	1.6
131.01826	1.0
132.04471	1.5
133.03398	0.7
138.03476	0.8
140.04514	1.5
141.06427	0.6
142.04942	0.9
143.01897	5.5
145.04970	2.5
146.04468	0.8
147.04318	1.8
150.03047	0.7
152.04561	2.3
153.01840	5.1
155.01880	2.6
156.04308	0.7
157.03523	0.9
158.05620	5.2
158.09259	0.8
161.02979	9.6
167.08133	1.9
168.06595	9.2
169.09746	1.3
170.05981	0.9
170.08136	11.7
173.02991	5.2
174.03131	1.0
174.04570	1.8
174.18230	0.6
175.12003	0.9
178.02434	1.0
179.05643	1.0
183.05035	5.2
183.55226	1.1
185.02956	2.0
185.17494	1.3
186.07678	1.5
189.13617	0.7
191.03874	0.7
192.05525	3.1
193.03593	1.0
195.05153	9.7
195.07713	3.7
196.03569	3.6
196.05966	1.2
203.04050	4.8
203.56482	0.9
204.04349	1.0
210.08762	1.8
213.08728	6.7
214.07094	20.9
229.12947	0.7
233.05023	1.4
237.06352	1.5
245.05093	2.5
251.04301	0.7
255.07259	2.7
256.09290	4.5
263.06155	4.1
273.08356	5.8
273.11951	100.0
274.04846	0.8
274.09937	0.9
275.06091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04663	0.3
55.01864	0.4
55.05506	0.7
56.96552	0.4
65.03946	0.5
65.37325	0.3
66.44301	0.3
67.01868	5.3
67.05509	0.5
67.32467	0.3
68.99780	2.2
69.03432	2.0
69.07058	0.4
70.86082	0.4
70.86413	0.7
71.04955	0.3
79.01849	0.4
79.05482	0.7
81.03412	1.0
81.07044	0.6
83.01346	0.5
85.02908	0.5
87.08087	0.8
89.40313	0.3
91.04955	0.5
91.05484	5.9
93.07025	0.9
95.04965	2.1
95.08597	0.9
97.02894	1.6
97.03451	0.2
105.07041	0.5
107.04948	3.1
107.08627	0.4
109.02858	0.3
109.10164	0.7
111.00790	0.7
116.98618	0.5
119.04945	13.2
119.08557	0.5
121.02871	0.6
121.06487	1.2
121.10141	0.5
123.04422	3.9
125.02396	0.5
127.03925	0.5
129.01862	0.8
129.06976	0.3
133.10132	0.4
134.21574	0.3
134.99571	0.3
135.11642	0.3
143.08644	0.3
145.10098	0.6
147.04413	41.1
148.04756	0.5
149.06006	0.5
151.03906	0.9
153.01830	100.0
154.02147	1.2
171.02888	26.3
177.05428	0.7
179.03430	2.2
181.06512	0.7
189.05460	0.9
207.06575	0.5
213.09169	0.5
231.06427	0.4
241.08603	0.6
246.13423	0.4
255.06532	0.6
256.53195	0.3
272.61014	0.3
273.07578	89.5
273.18454	1.1
274.07953	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03919	0.4
53.90113	0.3
54.21049	0.3
54.62014	0.3
55.01862	0.9
55.05257	0.5
55.05508	6.1
56.96573	3.1
57.03434	0.5
57.07074	3.5
65.03923	0.6
67.01864	2.2
67.05501	7.4
68.99781	1.8
69.03442	1.7
69.07071	14.0
71.05008	0.5
71.08627	1.0
73.19884	0.4
74.20639	0.3
79.05497	5.7
80.58184	0.3
81.03424	0.8
81.07061	18.7
83.01330	0.8
83.04995	0.8
83.08621	5.6
84.31340	0.3
85.02911	0.5
85.06548	0.4
85.10170	0.4
88.23630	0.3
90.99171	0.3
91.05481	10.8
93.07047	12.0
95.04967	3.4
95.08609	17.5
97.02895	1.3
97.06530	0.9
97.10172	2.3
98.97584	11.6
103.05451	0.5
105.07037	10.3
107.04980	2.6
107.08601	13.0
109.06509	2.1
109.10156	10.8
111.08082	0.6
111.11732	1.5
115.05402	0.7
116.98631	9.6
117.06992	1.7
119.04949	16.4
119.08591	7.4
121.06541	1.8
121.10145	9.8
123.00775	0.4
123.04427	3.9
123.08064	1.0
123.11707	6.3
124.37148	0.5
127.03919	0.6
128.06169	0.4
129.06989	1.8
131.08562	3.7
133.06476	1.5
133.10136	5.9
134.99663	5.5
135.08044	1.4
135.11699	8.8
137.02354	1.4
137.09650	0.6
137.13277	2.9
140.00206	0.7
141.06998	1.2
142.07768	0.9
143.08611	2.5
144.09215	0.4
145.06459	0.4
145.10133	4.3
147.04413	45.0
147.11703	5.3
148.04776	0.7
149.05989	0.6
149.09561	0.6
149.13266	6.9
151.03870	0.4
151.14824	0.8
153.01831	100.0
153.07014	1.2
154.02179	1.0
155.08583	1.3
156.09325	2.1
157.10155	3.4
158.01221	0.7
158.99683	4.2
159.08063	0.5
159.11691	1.6
161.05937	0.5
161.09631	1.5
161.13286	3.3
163.11172	0.7
163.14827	3.8
164.09599	0.4
165.06975	0.7
165.16405	0.5
165.21799	0.4
167.08554	0.7
169.10098	2.1
170.10924	0.5
171.02939	4.1
171.04340	0.5
171.11685	3.0
173.09633	1.9
173.13231	1.7
175.11186	1.3
175.14790	2.1
177.00742	7.8
177.16417	2.3
178.00664	0.3
179.03401	1.2
181.06491	1.3
181.10103	1.0
182.10896	1.1
183.11923	1.6
185.13269	1.2
187.11195	0.4
189.05461	1.1
189.12758	1.7
189.16368	1.8
191.17937	1.1
192.12756	0.8
195.01761	0.7
195.11694	1.1
196.12543	0.7
196.60924	0.5
197.05559	0.4
197.09512	0.4
197.13274	4.1
198.14111	0.6
199.11224	2.1
200.02260	1.8
203.17886	2.2
204.12711	1.3
208.12410	0.5
211.14812	1.5
212.15553	1.0
213.09254	0.6
213.12709	1.0
213.16389	2.5
215.14285	0.9
217.12302	0.5
217.19569	3.3
219.01637	0.6
222.13901	0.6
225.12642	0.7
227.14273	1.1
229.16013	0.5
231.06577	0.7
231.17435	0.5
231.21114	0.6
237.16423	0.9
240.15134	0.6
241.08609	1.1
243.14240	0.5
245.15485	0.4
255.06554	0.7
255.17441	7.2
273.07578	84.5
273.18463	19.5
273.25757	21.1
274.07953	2.0
279.16348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1132
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
56.96564	1.8
57.03428	2.2
61.02918	3.6
65.03942	1.8
69.03430	5.0
69.81709	4.9
70.06586	2.7
71.04993	1.1
73.02910	1.3
79.05496	1.3
81.03409	2.5
81.07066	1.9
84.04501	3.1
84.08157	1.2
85.02910	21.1
86.06071	1.5
91.03951	1.6
92.05002	4.7
95.04984	1.5
95.06084	1.3
96.04440	0.9
96.08134	2.3
97.02880	6.1
103.03931	0.9
104.13337	0.7
106.06557	2.5
109.02866	2.2
109.05269	2.3
109.77179	0.8
110.06050	100.0
110.07135	7.0
111.04453	1.8
111.06421	0.8
120.88617	0.9
122.06018	3.5
127.03932	4.0
130.04973	2.5
132.04454	11.2
134.06026	7.3
134.99750	0.8
143.11784	2.2
145.04982	3.4
146.05981	1.2
152.07133	3.8
153.01857	1.0
161.01236	1.3
164.07143	1.0
176.07115	1.0
177.00589	0.8
183.06157	1.0
211.73323	0.8
226.15587	1.1
227.17500	0.8
236.09331	1.1
254.10387	3.3
254.15381	0.8
254.24799	1.1
255.13333	3.4
272.02884	0.7
272.06317	2.8
272.11285	6.2
272.16058	11.1
272.19376	0.9
273.07587	1.0
276.80331	0.8
293.05463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.16221	0.5
53.03919	0.5
55.01867	0.6
55.05505	0.9
56.96558	1.4
65.03946	0.7
67.01859	2.6
68.99803	1.6
69.03437	2.4
70.93688	1.3
79.05501	0.6
81.03392	0.8
81.07058	1.0
83.04977	0.5
85.02905	1.1
88.19850	0.5
91.05490	7.4
93.07005	0.7
95.04980	2.3
95.08630	0.6
96.49361	0.5
97.02891	2.2
98.97585	1.5
100.23284	0.5
105.07022	0.8
107.04940	2.7
107.08581	1.2
109.10129	0.8
111.00805	0.6
111.04456	0.6
115.05390	0.5
116.98640	1.2
119.04952	15.9
121.02877	3.8
121.06541	0.9
122.03179	0.8
123.04412	4.5
128.98611	1.3
134.99623	0.6
140.04663	0.7
147.04416	41.6
148.04707	0.7
151.03929	1.0
151.07513	0.6
153.01831	100.0
154.02110	0.7
155.04913	3.1
156.12994	0.5
171.02917	5.1
171.04288	1.0
175.31447	0.5
179.03413	1.3
181.06477	1.0
189.00719	0.7
189.05479	1.1
199.03915	1.2
201.00812	0.6
217.04878	0.9
231.06496	0.9
240.54871	0.7
245.04454	2.9
255.02899	1.9
255.06580	0.7
273.04041	9.9
273.07562	93.0
274.04880	0.6
274.07941	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.03938	1.4
55.01866	1.2
55.05513	8.9
56.96551	2.6
57.03434	1.4
57.07061	3.8
67.05505	16.4
69.03416	1.1
69.07066	12.6
69.43154	9.1
70.06579	3.0
71.04985	2.4
71.42197	0.9
79.05502	10.8
81.07056	38.4
83.08613	5.7
85.02877	1.5
91.05476	13.6
93.07046	22.7
95.04961	2.6
95.08606	29.6
97.02890	1.3
97.06538	1.1
97.10169	4.1
98.97569	3.9
105.06375	1.8
105.07036	22.6
107.04971	1.9
107.08598	23.5
109.02891	2.3
109.06521	1.2
109.10162	27.3
111.11723	2.1
112.08733	1.0
113.09573	1.0
115.05481	1.3
116.98595	3.5
117.07019	3.6
119.04939	2.7
119.08580	22.2
121.06537	1.0
121.10154	17.4
123.11703	12.2
129.06975	1.4
131.08560	9.2
133.10132	16.5
134.99663	1.7
135.11710	14.1
137.05962	2.9
137.13269	1.5
141.06964	1.6
143.08527	1.4
145.10124	11.9
147.11668	14.1
149.13261	14.5
152.06291	1.4
152.14342	1.3
153.01877	1.5
153.06993	6.2
155.08548	4.2
157.06503	1.1
158.99652	1.5
159.08058	2.3
159.11716	14.8
161.13263	19.8
163.14827	9.8
165.07010	16.5
165.08330	1.8
168.05661	2.7
173.13261	13.8
173.92761	1.1
175.14824	16.2
177.16362	2.9
181.06479	4.2
183.08110	8.2
183.10487	1.1
185.06046	1.3
187.14833	8.5
189.16437	9.2
193.06523	2.9
196.05202	1.3
196.19839	0.9
197.05960	1.9
197.09573	1.1
201.16348	9.4
203.18117	1.0
210.06619	1.3
211.07487	8.6
212.08215	2.1
212.16559	1.8
215.17953	9.3
219.01750	1.3
219.03979	1.0
221.05978	2.7
228.07666	1.1
229.19492	2.3
233.49344	1.2
235.16904	1.3
239.07010	2.4
243.10059	1.1
271.02954	1.7
271.06052	22.2
271.09741	30.5
271.13300	1.4
271.24222	100.0
272.06192	1.7
272.10281	1.2
291.03952	2.1
291.61673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
53.75095	1.2
55.05518	7.6
56.78102	1.5
56.96546	3.0
57.03425	1.8
57.07061	4.5
60.52875	1.1
67.05184	1.4
67.05508	18.8
69.03416	2.1
69.07079	12.2
70.01657	5.8
70.06589	5.4
71.04984	3.0
71.08608	1.4
76.74361	1.2
79.05504	9.8
81.03434	1.8
81.07064	36.7
83.04960	1.3
83.08625	7.9
85.02900	2.1
85.06523	1.9
91.05486	15.3
93.07053	23.0
95.04975	4.0
95.08616	29.8
97.02905	1.5
97.06524	1.4
97.10151	4.4
98.21474	1.4
98.97598	4.7
104.78424	1.2
105.07047	21.0
107.08608	24.5
108.49496	1.2
109.02869	1.3
109.10170	24.0
111.08105	1.4
116.98625	5.2
117.07012	4.2
119.04943	3.2
119.08594	17.4
121.10136	14.3
123.11703	12.9
124.07607	1.2
128.07068	3.6
128.98662	1.3
129.07001	3.7
131.00163	1.5
131.08566	10.4
133.10135	15.8
134.99669	3.6
135.11714	12.3
137.05942	2.3
141.07036	2.4
143.08527	1.8
145.10127	11.9
147.11705	13.0
148.07616	1.4
149.05948	1.7
149.13272	10.8
152.06206	1.8
152.14429	2.5
153.00658	1.3
153.01814	2.2
153.07001	8.8
154.07669	1.5
155.08528	3.9
157.06563	1.8
157.10104	1.4
158.10931	1.3
158.99573	1.6
159.11700	14.1
161.09671	1.7
161.13257	22.6
163.14832	8.7
165.07019	19.8
168.05652	1.9
171.11644	1.3
172.87119	1.3
173.13261	11.2
175.14835	16.9
177.00650	1.5
177.16422	3.1
181.06491	3.9
182.07220	1.6
183.08037	9.9
185.06081	1.2
187.14905	7.2
189.00656	1.4
189.16386	6.1
193.06470	1.7
201.16362	7.8
207.04341	1.4
210.06770	2.1
211.07579	11.6
212.08194	1.3
212.16483	4.7
215.17973	9.5
217.19554	1.6
221.05951	2.3
228.07645	1.7
229.19579	1.7
237.02844	1.5
239.06950	2.4
243.06525	1.3
243.10106	2.7
243.21106	1.5
256.07443	1.5
257.08026	1.6
271.06067	22.8
271.09695	32.9
271.17065	3.1
271.21420	4.6
271.24234	100.0
272.10272	2.2
272.24472	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	271.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01848	1.9
55.05511	4.6
56.05032	3.6
57.03436	0.5
57.07061	0.8
57.18958	0.4
58.86785	0.4
63.02718	2.2
64.31089	0.4
67.05487	2.0
67.40257	0.5
68.05007	1.4
68.79955	0.4
68.99764	0.5
69.03425	1.0
69.07047	2.0
69.81932	1.0
69.82343	1.7
70.06587	1.0
70.60558	0.5
71.04995	0.7
79.05504	2.8
80.05006	1.1
81.03416	0.6
81.07064	18.3
82.06581	6.7
83.04981	0.9
84.08131	0.7
85.02882	1.5
85.06520	0.8
86.06049	1.4
91.05495	6.6
93.07040	2.2
93.98625	0.4
94.06590	2.5
95.04964	1.5
95.07330	1.0
95.08627	2.1
96.08118	2.0
97.02913	0.4
97.08350	0.7
97.08923	8.2
98.09692	0.9
98.97594	0.5
99.08063	0.5
100.07590	1.3
102.05569	2.4
103.05414	0.4
105.07005	1.2
107.04984	2.1
107.08573	0.7
108.08133	4.6
109.02891	0.6
109.06521	0.5
109.10144	1.4
110.09687	16.2
111.04431	0.6
112.07604	2.2
114.05537	5.7
115.05441	1.7
116.10690	0.9
118.04133	0.8
119.04945	3.6
119.08594	1.0
120.08085	1.6
121.02883	0.6
121.06492	1.6
121.10143	0.8
122.03727	0.4
123.08056	0.8
124.05202	0.6
124.11219	1.5
126.09114	0.5
127.03987	0.6
128.07076	3.1
129.06998	0.7
129.10236	0.7
129.88841	0.4
130.06496	0.5
131.04947	0.7
133.02892	0.6
133.06462	0.4
134.03609	0.9
135.04366	0.7
135.09204	0.6
136.11224	4.7
137.05988	2.2
137.09619	0.5
138.12794	0.7
139.05020	0.8
140.06100	0.6
140.07076	7.7
141.06982	3.1
147.04427	1.0
147.07993	0.6
149.05989	1.2
150.06729	0.5
152.06168	2.8
153.07007	11.3
154.07607	0.6
154.08690	1.1
154.12265	2.7
155.08553	7.1
157.06532	1.2
161.06061	0.5
163.12340	1.5
165.07016	28.4
165.92511	0.4
167.08635	0.7
168.05730	3.9
169.06508	1.6
170.07205	0.6
171.08003	0.6
179.04974	0.4
179.06871	0.5
179.08467	0.5
181.06488	6.2
182.07455	2.5
182.11780	100.0
183.08063	14.5
183.12111	0.6
184.08385	0.6
185.05945	2.1
187.03912	1.0
193.06367	4.9
195.08052	0.7
196.05212	3.4
197.02277	0.5
197.05984	3.0
197.07648	0.4
198.06801	1.2
198.14917	1.7
199.03893	0.6
199.07521	0.7
200.08392	2.4
207.04425	1.8
209.06067	1.0
209.12863	25.8
210.06770	2.1
211.07565	14.9
211.09126	0.5
212.08344	2.1
213.05545	0.8
213.09094	0.8
215.03421	1.5
221.06003	4.8
225.09149	1.0
226.14432	2.1
227.03427	1.2
227.06996	0.9
228.07790	1.9
239.07108	3.2
241.08656	0.5
242.09413	2.7
243.10205	1.7
256.07236	0.7
257.07941	0.5
271.00034	0.7
271.02417	39.2
271.06076	7.3
271.09637	43.0
271.14685	3.0
272.02863	1.7
272.10126	1.6
289.28601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
55.05522	1.4
56.96571	1.5
57.03441	3.4
57.07062	1.4
59.32461	0.5
59.36275	0.6
64.24941	0.5
64.25961	0.7
65.03941	1.9
67.05500	2.5
68.99812	0.6
69.03412	1.0
69.07072	2.4
69.25922	0.6
69.99165	2.6
70.06590	3.1
71.05022	1.3
72.08162	1.1
73.02921	31.0
75.04485	4.0
79.05495	1.7
81.07052	2.6
83.08624	1.1
84.08138	0.8
85.02910	1.3
85.06563	0.6
86.06062	1.0
91.03974	1.8
91.05497	2.9
93.03395	0.9
93.07056	2.4
95.04980	2.2
95.08604	2.7
97.02909	0.8
97.06540	0.7
98.21456	0.7
98.97524	0.7
103.05456	1.2
105.07045	1.6
107.04957	1.2
107.08610	1.3
107.94839	0.5
108.02107	0.7
109.02901	0.8
109.10149	1.4
110.03681	6.1
111.04468	5.5
112.51498	0.6
114.10291	1.0
116.98586	0.9
119.04974	2.4
119.08586	1.6
121.10155	2.4
123.04395	1.5
125.05999	41.8
129.07062	0.6
131.08565	0.8
133.10132	1.0
135.08055	0.9
137.02318	0.7
137.05995	2.5
141.05449	3.5
143.00191	1.2
145.10106	0.7
147.04507	1.2
147.06532	5.7
149.06001	3.5
151.03915	100.0
151.04982	5.1
151.07478	5.3
152.04294	0.8
153.01828	0.8
159.11655	1.0
161.01303	0.6
163.07578	3.6
165.06995	0.7
171.11838	0.7
177.40703	0.6
179.07040	22.5
179.08290	0.8
197.06250	1.0
197.08105	24.3
199.09648	1.8
211.07593	1.7
225.07571	3.5
229.04965	0.8
235.09880	0.5
239.07111	0.8
243.06581	0.7
249.03015	0.8
253.10733	3.8
267.03879	1.4
271.02814	1.1
271.06027	10.5
271.11789	35.2
271.17587	2.9
271.20450	1.1
271.24164	2.0
285.04913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.9
53.03928	1.0
55.01876	2.0
55.05497	2.6
56.96554	1.5
57.03431	1.0
57.07064	1.7
61.77687	0.8
63.82080	0.9
65.03934	2.2
67.05489	4.3
68.05004	2.8
68.99743	0.9
69.03419	1.5
69.07043	3.1
70.06579	1.5
70.97382	0.9
71.59851	1.6
72.08125	1.0
75.50879	0.9
78.04722	1.2
79.05496	6.8
80.05013	2.4
81.03400	1.1
81.05806	2.5
81.07064	7.8
83.04990	1.0
83.08607	1.5
85.06546	1.2
91.05483	12.2
91.15580	0.8
93.05785	1.8
93.07045	6.0
94.06586	4.7
95.04939	3.4
95.08617	6.2
96.08138	11.4
97.06484	1.4
98.97588	1.2
103.05439	1.4
104.04948	3.0
105.06998	1.8
106.06559	1.7
107.04955	2.8
107.08552	4.0
109.02821	1.6
109.06506	1.4
109.10141	4.5
110.05998	1.2
116.04984	1.4
116.98621	1.1
117.05748	1.1
118.06549	64.8
119.04939	6.5
119.07348	13.5
119.08179	1.3
119.08570	1.8
120.08092	8.2
121.06490	1.8
121.10119	2.8
122.05991	3.6
123.11714	1.5
124.07599	100.0
126.09137	4.0
129.07001	1.7
131.04858	1.2
131.08528	1.7
133.10080	3.2
134.06099	1.2
135.11627	1.2
137.05952	3.3
139.07497	1.2
139.22757	1.0
141.07024	2.2
142.06874	0.9
145.06445	1.4
145.10065	1.2
146.06018	31.4
147.04376	1.9
147.05759	1.5
147.06802	26.1
147.11617	1.4
148.07582	81.2
151.11136	1.4
152.06238	1.6
153.01805	4.8
153.07034	8.5
155.08574	6.7
157.06477	1.2
159.11673	1.1
161.13300	0.9
164.07008	1.9
165.07013	21.7
167.07040	2.5
168.05669	3.4
169.06409	2.4
171.08014	1.3
181.06442	5.6
183.06697	1.1
183.08073	12.9
189.16292	1.4
191.07028	1.1
193.06442	4.8
193.08383	1.1
193.62683	1.0
196.05121	3.3
197.05954	2.2
197.09526	1.0
198.12752	1.8
199.07564	1.1
200.08305	1.9
200.14243	3.9
207.04494	1.8
211.07549	12.7
212.08264	1.8
215.15521	4.6
215.17253	1.0
221.05898	3.3
226.12344	2.1
239.07002	2.7
240.08261	1.1
242.09351	2.0
243.10126	2.0
243.14981	10.8
245.16261	1.0
251.59172	1.1
253.13278	1.7
254.11719	2.1
271.05933	64.1
271.09549	37.0
271.14337	34.9
271.20560	1.3
271.23859	3.5
272.06323	2.2
289.15482	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	271.0965
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.04702	1.0
55.01869	4.5
55.05505	4.1
56.47636	1.0
57.03431	2.1
67.05492	4.5
68.99764	1.1
69.03425	2.4
69.07057	4.7
69.70727	6.3
70.06595	24.7
71.04986	2.8
79.05494	3.6
81.03423	1.9
81.07070	10.1
83.04957	1.9
83.08617	2.2
83.79752	0.9
85.02872	1.7
85.06548	1.8
86.06059	1.8
86.09709	15.0
89.04012	1.0
91.05487	11.5
93.07053	4.5
95.04967	4.7
95.08604	5.3
96.08083	1.1
97.02916	1.1
97.06535	1.2
97.10160	1.8
98.20828	2.3
102.05633	1.2
103.05421	1.2
105.07024	3.1
107.04975	3.4
107.08588	4.0
109.02863	1.6
109.10165	4.7
109.63569	0.9
110.09669	2.7
111.08041	1.3
112.07590	1.5
115.05465	3.2
116.07098	52.7
117.25598	1.0
118.06493	1.0
119.04958	10.5
119.08584	2.0
121.06512	3.1
121.10148	1.8
123.04459	1.7
123.08039	1.0
123.11701	1.4
127.03934	1.7
128.10725	10.6
129.07013	1.9
133.10129	2.0
135.04454	1.8
135.11725	1.9
136.11205	1.1
137.06013	7.0
137.09668	1.2
140.07109	2.2
141.07005	5.6
147.04396	2.1
147.11693	1.4
149.05997	2.3
150.06725	1.3
152.06200	5.3
153.05667	1.9
153.06990	21.1
154.07738	3.1
155.08575	13.6
156.10190	1.6
157.06544	2.4
158.54628	1.0
159.08083	1.2
165.07007	55.1
166.01256	1.1
166.07544	1.1
168.05739	9.5
169.06500	5.7
170.07251	1.7
179.07103	1.6
179.08549	1.1
181.06465	12.4
182.07289	6.1
182.11787	15.8
183.08066	32.3
184.23009	1.1
185.05940	4.8
193.06383	12.0
194.07321	1.2
195.08148	1.4
196.05212	7.3
197.06039	4.6
197.09515	1.4
198.06773	1.7
198.17635	1.0
199.07591	2.4
200.08392	3.7
207.04428	3.6
209.05948	1.8
209.12915	3.6
210.06810	3.7
211.07547	31.6
211.09462	2.1
212.08305	2.9
221.05986	11.5
225.05545	1.2
225.09166	2.8
227.07062	1.6
228.07785	3.8
235.20633	1.3
239.07109	7.5
242.09325	4.4
243.10095	4.6
253.08723	2.0
271.02472	4.3
271.06107	17.7
271.09671	100.0
272.10080	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	270.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01871	0.5
56.05037	1.4
56.96560	1.0
57.03430	0.9
63.40588	0.4
64.27340	0.4
67.05483	0.5
69.03427	0.8
69.37402	0.4
70.06611	2.2
71.18512	1.1
73.02922	0.7
74.06080	7.5
81.03419	25.7
84.04508	0.5
85.02898	1.1
86.06078	1.4
88.07616	0.5
91.05430	0.5
93.07067	0.5
95.05003	0.6
97.02892	0.7
98.06059	7.7
98.97612	0.7
107.08592	0.6
109.02880	100.0
110.03188	0.8
114.05581	0.6
116.07088	3.4
116.98640	0.5
119.04923	0.7
127.03943	0.8
137.05899	0.4
139.03871	0.5
141.32439	0.6
144.06560	3.4
151.03926	1.4
182.08153	3.2
200.09152	0.6
210.07587	1.7
224.09314	0.7
228.08636	3.9
238.05074	0.9
240.08740	2.1
252.08662	2.4
270.09747	6.6
271.05978	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	271.0967
Annotation	Amoenumin
Peak:m/z	Relative Intensity
51.19181	0.8
52.03151	1.0
53.03967	1.1
55.01877	5.2
55.05521	2.3
56.70202	0.9
57.03447	1.4
57.07065	1.4
64.31393	0.9
65.03919	1.7
67.05488	3.6
69.03413	2.3
69.07059	3.4
70.06598	15.9
71.04993	2.2
71.08628	1.0
71.58148	1.0
72.32813	0.9
75.24410	0.9
79.05497	3.4
79.91931	0.9
81.03416	1.9
81.07061	8.8
82.06573	1.6
83.04965	1.7
83.08619	1.5
85.06523	1.6
86.09728	8.9
89.03916	1.1
91.05488	14.4
93.07059	3.0
95.04971	3.7
95.08612	4.8
97.06529	1.7
97.08933	1.2
99.04452	1.6
99.08134	1.2
103.05444	1.5
105.07035	2.8
107.04961	4.6
107.08598	2.3
109.02874	1.0
109.06547	1.2
109.10154	3.6
110.09695	3.1
112.07594	1.3
115.05472	2.4
116.07100	31.8
118.04034	1.1
119.04945	9.7
119.08562	2.0
121.02885	1.5
121.06522	5.0
121.10181	1.7
123.08030	1.3
128.06204	1.6
128.10727	5.9
129.07080	2.3
129.38844	0.9
131.04996	1.0
131.08575	2.1
133.06467	1.1
133.10104	2.1
134.03641	2.2
135.04407	2.7
135.11726	1.5
137.05978	6.4
140.06155	1.5
140.07077	2.3
141.07024	6.9
145.06528	1.6
145.10201	1.0
147.04407	2.6
147.11737	1.4
149.05959	2.2
150.06721	1.5
152.06226	6.1
153.06999	24.0
154.07776	4.1
155.08569	14.7
157.06519	4.0
159.11694	1.3
161.05933	1.0
161.09607	1.1
165.07011	65.2
166.07613	1.6
167.07150	1.1
167.08548	1.5
168.05724	10.6
169.06506	7.3
170.07266	2.0
171.08080	1.2
178.07906	1.5
179.04887	1.1
179.07059	1.1
179.08534	1.2
181.06494	16.5
182.07269	6.5
182.11774	11.6
183.08057	35.2
185.05888	5.2
193.06395	11.7
195.08081	1.2
196.05219	7.4
197.05975	5.6
198.06786	1.9
199.07538	2.9
200.08302	3.1
207.04407	3.1
207.20990	1.1
209.05931	2.1
209.12917	3.8
210.06750	4.2
211.07553	34.0
212.08307	4.5
213.05571	2.2
213.09163	1.5
217.19536	1.4
221.06024	12.3
225.05475	1.9
225.09126	3.4
228.07808	3.8
239.06995	7.1
242.09308	5.2
243.06471	1.5
243.10078	4.5
253.05206	1.7
253.08434	1.3
256.07333	1.7
271.02362	5.8
271.06113	17.0
271.09674	100.0
272.10077	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	2.4
55.01861	3.9
55.05516	22.1
57.03191	2.4
57.03440	35.7
57.07058	5.9
57.26571	1.8
61.45353	1.7
65.03922	2.6
67.05508	83.1
69.07069	32.2
71.04972	6.6
71.08629	1.8
71.60890	1.8
79.05496	47.0
81.03413	3.7
81.07059	100.0
83.04981	14.5
83.08196	2.5
83.08622	19.3
84.08902	1.9
85.06522	6.5
91.05486	25.9
93.07047	79.1
95.04960	10.0
95.08609	27.4
97.06515	16.3
97.10148	2.1
99.08096	5.9
105.06996	10.1
107.04940	2.3
107.08598	44.1
107.24267	1.8
109.06487	4.5
109.10149	6.4
111.08054	11.3
113.05952	2.1
117.07020	13.9
119.08564	4.7
121.06487	2.4
121.10142	20.9
123.11696	4.6
131.08551	11.5
133.10126	12.6
135.08023	4.0
135.11682	11.8
147.11710	2.6
149.13257	49.4
157.10207	2.1
159.11696	24.6
177.12744	15.0
185.13072	2.2
190.18430	1.9
195.13814	18.4
213.14833	2.9
226.76941	1.7
251.20035	2.5
269.17474	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03936	3.3
55.01863	3.8
55.05510	19.3
56.96557	4.1
57.03185	2.0
57.03437	22.3
57.07068	6.5
57.79452	1.5
61.75342	1.8
67.05505	72.4
69.03443	2.2
69.06724	1.8
69.07068	26.9
71.04983	9.6
71.24074	4.6
79.05502	42.5
81.03416	3.7
81.07058	100.0
83.04987	9.8
83.08621	17.2
84.21058	1.5
85.02899	2.6
85.06532	9.1
91.05486	31.4
93.07047	71.3
95.05001	8.7
95.08048	2.7
95.08610	38.2
97.06527	17.3
97.10161	6.2
98.97610	3.1
99.08091	5.9
103.05440	2.0
105.07026	18.3
107.04924	4.6
107.08595	30.0
109.02830	1.9
109.06503	6.6
109.10151	13.4
111.04429	3.3
111.08083	7.6
111.11746	2.3
116.98612	2.7
117.07008	11.2
119.04945	3.4
119.08592	9.7
120.05698	2.7
121.06542	2.8
121.10159	25.9
123.08076	3.3
123.11700	6.9
131.08591	14.9
133.06479	2.2
133.10112	17.5
135.08116	7.8
135.11693	11.9
137.09506	1.8
139.11130	2.0
145.10156	5.2
147.04385	7.1
147.11678	3.9
149.05988	1.9
149.09641	3.2
149.13266	33.1
151.11171	4.4
153.09146	2.5
154.06302	8.2
155.10675	2.0
157.10178	3.3
159.11700	27.1
161.13252	4.8
163.07523	9.2
163.11154	1.7
165.05467	5.7
167.07063	3.0
171.11717	1.6
173.13367	1.7
177.00670	2.1
177.12729	12.4
179.14276	2.0
180.07816	35.6
187.14799	2.8
193.08514	3.6
195.10162	26.4
195.13811	11.4
204.68037	1.9
204.75658	1.8
215.17957	5.2
233.19002	4.3
241.13313	2.3
251.12828	2.0
251.16405	4.1
251.19994	6.3
269.04303	1.5
269.13208	2.7
269.17465	63.2
269.20807	2.5
270.17679	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
50.09882	2.7
53.00990	2.6
55.01857	3.2
55.05515	27.6
56.96558	6.0
57.03435	23.4
57.07070	8.6
62.54757	3.0
67.05171	4.7
67.05506	71.7
69.07072	32.1
70.06595	15.3
71.04996	7.9
71.61083	3.5
79.05058	4.6
79.05494	45.4
81.03441	3.3
81.06577	5.3
81.07059	100.0
83.04985	9.6
83.08633	17.2
85.06535	10.0
87.04428	2.6
87.08117	25.6
91.05473	28.3
93.07045	71.1
94.98208	2.9
95.04978	8.8
95.08617	24.1
97.06540	13.4
97.10185	4.2
99.08093	6.8
105.07021	12.2
107.08602	29.1
109.06522	6.6
109.07647	7.5
109.10154	7.8
111.08084	10.3
117.07021	11.4
119.08614	5.9
121.06483	4.4
121.10136	23.7
123.11730	3.9
128.07140	3.2
131.08568	11.4
133.10155	13.2
135.11705	14.3
137.01216	3.0
139.08662	11.5
148.95074	2.6
149.13255	46.4
150.12820	4.9
156.10213	9.6
159.11690	21.0
167.08180	9.2
177.12750	11.9
177.14087	4.1
195.13795	16.0
210.14879	21.9
237.15988	9.1
242.17525	32.7
251.20149	6.1
262.63474	3.2
269.17368	60.1
269.22546	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	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.49302	3.9
55.01894	4.5
55.05513	27.7
56.96560	5.5
57.03436	33.0
57.07073	8.7
67.05507	83.6
69.07066	30.9
71.04991	11.0
71.59911	7.3
79.05499	49.8
81.07063	100.0
83.04986	16.8
83.08649	23.5
85.06532	6.8
85.55505	4.4
91.05490	31.5
93.07052	84.2
95.04990	9.6
95.08611	33.7
97.06546	14.2
98.96629	3.9
99.08125	5.1
105.07052	11.7
107.08600	43.7
109.06557	5.4
109.10202	11.5
111.08075	6.2
117.07053	10.3
119.05540	4.1
119.08574	7.4
121.10162	26.9
123.11714	5.2
131.08583	16.4
133.10161	19.4
135.08083	4.9
135.11725	20.0
135.98479	3.6
136.97231	4.0
149.09702	4.8
149.13275	34.9
159.11717	30.5
177.12733	11.8
195.13797	21.3
211.10985	4.5
251.20103	11.0
269.17401	78.1
269.22446	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	269.175
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.31924	1.5
53.03933	3.8
55.01867	4.0
55.05518	20.2
57.03439	30.2
57.07066	6.4
62.59110	1.5
63.27380	1.6
63.63371	1.7
65.03932	2.5
67.05508	79.8
69.06267	1.7
69.06719	2.1
69.07069	27.0
70.34406	6.5
71.04981	6.8
79.05494	44.9
81.03423	2.9
81.07063	100.0
83.04991	8.4
83.08628	18.5
85.06543	5.5
91.05483	26.8
93.07048	74.6
95.04957	8.9
95.08617	26.6
97.06551	16.3
97.10140	1.9
98.31670	1.5
98.46390	1.7
99.04448	1.7
99.08085	5.4
105.07043	11.4
107.07966	2.2
107.08611	29.2
109.06511	4.9
109.10147	4.4
111.08066	5.5
117.07030	13.2
119.08583	5.4
121.06498	1.8
121.10146	23.7
123.11689	3.9
131.08569	15.3
133.10120	16.1
135.08012	2.7
135.11717	15.4
147.11670	3.4
149.09578	5.0
149.13271	43.7
151.11102	2.9
153.09175	2.3
157.10133	2.4
159.10452	2.2
159.11703	31.2
161.13249	3.8
177.12759	20.1
179.14360	2.2
195.13831	21.1
209.11716	2.9
213.14795	2.1
241.57217	1.8
251.16539	2.3
251.20036	2.5
269.17462	83.5
269.22311	3.6
270.18011	2.0
289.21460	1.6
292.99213	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03921	3.4
55.01862	3.3
55.05519	22.5
57.03444	26.8
57.07047	5.4
61.10913	1.2
65.03908	1.9
67.05510	73.0
69.03415	1.5
69.07076	24.6
69.88406	6.5
70.06604	8.9
71.05000	6.3
71.08601	2.3
77.03891	1.6
79.05502	43.0
81.03411	2.4
81.07066	100.0
83.04999	10.9
83.08628	19.3
85.06532	6.3
86.49798	1.5
87.08104	13.3
90.12421	1.3
91.05489	29.0
93.07054	66.0
94.07335	1.3
95.04964	7.6
95.08062	1.9
95.08614	27.1
97.06549	13.0
97.10153	2.8
98.21505	1.5
99.08044	5.0
105.04498	1.5
105.07047	12.0
107.08610	32.2
109.06491	2.5
109.07584	3.7
109.10104	4.8
111.08079	7.1
112.34944	1.4
113.09606	1.5
117.07039	11.7
119.08531	3.5
121.10157	24.5
123.11721	3.0
131.08563	12.2
133.10135	15.5
135.08005	2.2
135.11723	13.1
139.08665	9.8
147.11674	1.9
149.09569	5.3
149.13271	39.5
150.12685	3.8
155.73315	1.3
156.10139	5.7
159.10500	1.7
159.11693	26.4
161.13228	2.1
167.08168	8.7
177.09123	2.9
177.12680	14.8
177.13957	2.4
179.14284	3.8
195.13821	17.6
195.75403	1.2
203.27199	1.2
210.13116	1.4
210.14917	21.8
213.14679	2.1
213.84230	1.4
237.15889	4.8
242.15230	2.1
242.17513	21.7
269.17432	81.7
270.17807	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	3.8
55.01880	3.3
55.05510	20.9
56.32298	1.3
57.03155	1.7
57.03437	32.0
57.07065	5.5
57.70497	1.3
65.03934	3.3
67.05505	75.2
69.03431	3.0
69.07069	30.0
71.04987	6.7
71.08607	2.2
71.58687	2.3
79.05060	2.8
79.05496	46.1
81.03423	4.0
81.07061	100.0
83.05001	8.5
83.08623	19.5
85.06533	6.3
91.05476	23.6
93.07045	70.7
95.04961	6.3
95.08610	26.0
97.06535	18.4
97.10179	3.0
99.01015	1.3
99.08100	4.5
105.07043	10.4
107.08597	36.2
109.06498	3.8
109.10173	4.7
111.08109	7.8
113.05991	1.6
117.07021	9.9
119.08593	6.0
121.06477	1.6
121.10141	21.7
123.11689	4.3
131.08569	12.7
133.10147	13.4
135.08049	2.4
135.11685	13.0
139.11166	3.4
142.94165	1.4
143.08492	2.0
147.11745	2.0
149.09622	1.6
149.13260	47.4
157.10147	1.8
159.11687	26.3
161.13290	2.1
167.14278	2.6
171.11745	1.4
177.12764	13.4
179.14243	2.2
195.13820	20.7
209.27690	1.5
251.20142	2.3
269.08017	2.0
269.17480	73.3
269.22598	4.4
270.17807	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	3.9
55.01874	2.6
55.05271	1.3
55.05516	19.5
57.03442	39.7
57.07071	5.2
65.03916	2.0
67.05508	74.9
69.07072	32.2
69.07451	1.4
70.93565	1.8
70.93886	1.8
71.04995	7.5
71.08621	1.2
79.05496	40.8
81.03435	1.8
81.07063	100.0
82.09343	1.1
83.04996	9.7
83.08631	21.6
85.06543	5.9
86.87838	1.1
91.05484	25.3
93.07051	79.5
95.04987	9.1
95.08607	27.4
97.06537	15.7
97.10178	3.3
98.97531	1.5
99.08086	5.4
105.07050	8.7
107.08604	41.0
109.06514	4.7
109.10162	4.5
111.08094	11.5
114.84203	1.2
116.98582	1.7
117.07037	10.5
119.08567	2.6
121.10153	21.0
123.08083	1.7
123.11723	2.7
123.56207	1.3
125.09639	1.5
131.08578	12.7
133.10155	11.8
135.08105	2.9
135.11707	11.3
139.11169	4.1
147.11687	3.5
149.09662	1.6
149.13268	62.7
150.13477	1.5
151.11188	2.5
159.11700	25.0
167.14442	2.0
168.13428	1.3
177.12796	12.7
195.13788	16.2
201.72537	1.3
203.92474	1.1
210.36743	1.2
213.14909	3.0
222.56424	1.2
251.20000	1.8
269.07974	2.8
269.17502	73.3
269.22498	4.1
270.17776	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03930	4.6
53.06584	3.3
55.05507	19.3
56.15619	3.3
56.96548	5.2
57.03434	34.6
57.07057	8.1
67.05176	4.8
67.05505	81.6
69.06724	4.0
69.07066	39.3
71.04974	9.8
71.59846	3.7
71.60246	3.9
79.05495	41.9
81.03409	6.9
81.07055	100.0
83.04960	8.8
83.08612	23.7
84.08132	4.5
85.06536	8.0
87.53299	3.3
91.05475	29.4
93.06475	4.7
93.07044	75.7
95.04951	11.5
95.08605	34.4
97.06521	16.7
99.08067	8.3
105.07019	12.1
107.08598	38.9
109.02867	3.6
109.06519	4.0
109.10120	10.8
111.08043	10.2
111.81658	3.2
117.06999	10.5
119.08569	9.6
121.10129	24.2
123.11671	7.2
129.06989	6.4
131.08543	14.1
133.10136	20.9
135.11678	19.5
145.10072	5.0
147.11679	8.0
149.13248	56.2
157.10158	4.3
159.11688	28.2
171.75301	3.9
173.41316	3.1
177.12759	14.1
195.13829	18.3
213.15161	3.4
251.20038	8.2
269.08942	6.0
269.12915	4.2
269.17404	77.7
269.22263	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03928	3.5
53.55870	1.4
55.01868	2.9
55.05514	19.0
57.00441	1.5
57.03190	2.6
57.03439	34.9
57.07053	5.3
63.58849	1.6
65.03925	3.1
67.05508	76.6
68.04990	1.8
69.03458	1.8
69.07075	29.1
71.04993	10.0
71.58883	3.4
73.01848	1.7
79.05070	2.7
79.05499	39.3
81.03406	2.5
81.07063	100.0
83.04985	10.3
83.08627	21.7
85.06540	4.7
86.66603	1.7
91.05484	25.4
93.06474	3.7
93.07051	67.8
95.04964	9.9
95.08070	1.8
95.08614	26.8
97.06549	15.4
97.10149	2.5
98.47257	1.8
99.08068	3.4
105.07038	10.2
107.08601	35.9
109.06498	4.3
109.10149	5.0
111.08092	8.5
117.07023	11.6
119.08595	4.2
121.06503	2.5
121.10140	19.0
123.11666	3.5
125.09741	2.3
129.70323	1.6
131.08575	13.2
133.10139	12.7
133.16501	1.6
135.08052	2.6
135.11693	14.3
139.11087	1.9
145.10153	2.2
147.11601	2.0
149.13272	54.0
159.11685	25.6
177.12746	14.4
195.13832	18.7
195.65221	1.6
203.30672	2.0
251.20088	2.7
269.08081	2.8
269.17450	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79210	1.1
53.03949	1.2
55.01877	1.7
55.05514	13.4
56.96553	1.5
57.03442	11.8
57.07066	3.6
61.49876	1.1
62.66487	1.2
65.03945	2.0
67.05507	41.7
69.03415	1.9
69.07069	14.8
71.04996	7.5
71.59973	1.5
79.05065	1.5
79.05496	24.5
81.07059	50.4
83.04971	3.8
83.08627	9.6
85.06551	5.4
91.04967	1.5
91.05487	20.5
92.06268	1.4
93.07050	32.9
95.04957	4.7
95.08060	1.5
95.08614	24.8
97.02879	1.3
97.06547	7.2
97.10168	3.3
98.97571	3.2
99.04519	1.4
99.08092	2.2
101.06050	1.3
103.05468	8.0
105.03393	1.8
105.07043	11.6
107.04944	8.7
107.08604	22.3
109.02866	1.1
109.06508	2.0
109.10173	10.1
111.04409	1.3
111.08063	5.5
111.11685	1.4
115.05432	1.6
116.98605	1.5
117.07022	8.0
119.04137	1.2
119.04893	6.1
119.08610	6.9
119.15497	1.0
120.05721	9.4
121.06487	1.4
121.10158	14.0
123.08038	2.5
123.11716	5.5
124.05181	1.3
125.09622	1.3
131.04942	3.4
131.08589	6.7
133.02872	1.4
133.06502	2.9
133.10138	10.5
134.07317	2.8
134.99660	1.4
135.08060	8.2
135.11678	8.0
137.02365	1.6
137.05978	4.8
137.09612	2.0
139.03882	4.7
145.10075	4.1
147.04401	17.4
147.11714	2.6
148.05205	8.2
149.05974	3.9
149.09673	2.1
149.13266	16.3
151.11168	3.1
153.01826	2.1
153.09032	1.3
154.06248	24.7
158.99643	1.5
159.11684	14.0
161.06004	3.1
161.13229	2.3
162.06712	3.0
163.07550	25.9
163.11186	1.9
165.05486	14.1
167.07080	2.4
167.10706	1.6
167.14268	1.4
170.50073	1.0
173.13240	1.8
177.00716	1.9
177.12816	7.5
180.07825	100.0
181.12239	1.3
182.50218	1.2
193.08643	7.2
195.10176	72.0
195.13721	5.8
213.11208	3.4
215.17941	5.8
221.11636	1.8
233.19034	4.0
236.12773	1.3
237.10866	2.0
248.11594	1.3
251.12808	1.4
251.16306	2.3
251.20042	5.1
251.98373	1.3
257.12512	1.4
264.34262	1.1
269.04456	1.5
269.13388	3.0
269.17484	27.0
269.22729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03959	3.2
55.01867	4.7
55.05514	22.7
56.96560	3.9
57.03437	36.1
57.07069	6.5
65.03943	2.3
67.05507	80.6
68.05829	1.8
69.03422	2.7
69.06726	2.5
69.07068	29.3
71.04986	8.1
71.57814	2.0
73.02892	2.6
79.05495	47.7
79.05956	2.6
80.15903	1.8
81.03406	3.0
81.07059	100.0
83.04971	9.3
83.08619	21.1
85.06546	5.6
88.92506	1.8
91.05477	31.0
93.06474	4.4
93.07048	78.8
93.95217	2.1
95.04977	10.7
95.08607	30.9
95.09173	3.9
97.06534	18.0
97.10165	5.7
98.05389	1.8
99.08089	6.4
105.07044	12.1
107.08599	46.9
109.06506	4.2
109.10140	8.5
111.08089	12.5
117.07012	14.9
119.08565	4.4
121.10134	22.2
123.11671	6.0
125.09662	2.3
127.45676	2.0
129.06999	2.4
131.08595	15.5
133.10146	15.6
135.08047	3.6
135.11700	17.6
139.11218	2.7
145.10110	2.1
147.11702	3.5
149.09644	2.9
149.13261	54.0
151.11174	4.5
159.11707	31.7
161.13344	3.0
167.14273	2.4
173.13165	2.4
175.58838	2.4
177.12791	15.5
181.06398	2.8
195.13824	15.2
196.08884	1.9
213.14925	2.8
251.16402	3.8
251.20018	7.2
269.08038	4.2
269.17480	85.3
269.22583	7.8
270.17914	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	268.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99106	3.3
70.99430	1.8
76.65947	1.4
79.58894	1.4
92.48852	1.6
94.93009	1.4
136.93996	3.4
140.06523	1.5
157.76924	1.4
181.90689	1.4
185.27371	1.6
250.97127	1.5
268.98254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03936	3.4
55.01866	2.5
55.05506	5.0
57.03436	21.1
57.07064	1.4
67.05508	9.5
69.03420	2.2
69.07046	2.2
70.77017	2.9
71.05036	1.0
73.70718	1.0
79.05482	10.7
81.03418	100.0
81.07058	13.0
83.04984	6.1
83.08617	14.7
91.05489	15.4
93.07030	8.9
95.04967	22.3
95.08603	3.7
97.02895	2.7
97.06528	1.2
98.98460	1.6
103.05456	1.2
105.07039	13.0
107.04961	6.1
107.08607	3.8
109.06513	3.7
109.10152	1.7
111.04394	1.5
111.08091	6.5
115.05460	1.6
119.08578	10.3
121.06499	2.3
121.10130	4.7
123.08054	1.4
129.06978	8.0
131.08560	9.5
133.06522	2.8
133.10118	4.5
142.07776	3.2
147.08037	2.4
147.11687	8.4
149.09612	3.5
157.10117	9.9
165.12694	1.8
175.11217	8.4
193.12231	23.3
211.13277	4.4
249.14909	2.0
261.88684	1.0
267.15918	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01873	0.4
56.96563	0.6
57.03429	0.7
57.12582	0.3
61.02920	0.7
66.76826	0.2
68.04996	0.2
69.03424	1.1
70.06589	1.0
70.95183	0.4
71.01356	0.2
71.04987	0.5
71.06927	0.3
73.02918	0.8
74.06054	0.3
81.07070	0.5
83.72619	0.2
84.08129	0.4
85.02901	2.3
87.04468	0.3
89.06041	1.8
95.04952	0.3
95.06078	0.3
97.02889	1.0
98.97587	0.5
99.04438	0.3
109.02912	0.5
110.06030	0.3
110.07175	0.4
111.04446	0.3
116.98660	0.3
119.01818	0.4
119.03499	0.5
119.04968	0.4
127.03932	0.3
128.98647	0.3
132.04399	0.4
133.04871	0.4
134.99681	0.3
136.06187	100.0
137.02393	1.3
137.04562	0.6
137.06549	0.8
145.04985	0.4
146.99649	0.3
147.04428	0.4
148.04764	1.2
148.05936	0.2
153.05487	0.9
154.05794	0.6
161.01227	0.4
162.03323	0.3
163.03604	0.3
167.07002	0.3
168.03653	0.3
173.02917	0.3
177.00685	0.3
177.04135	0.3
177.05469	1.3
178.05840	4.0
178.07213	0.4
180.08627	0.4
190.06032	0.3
193.04532	0.3
204.07411	0.4
208.06837	0.7
219.01892	0.3
232.06674	0.3
250.07838	0.4
251.04364	0.3
251.10320	0.3
268.10446	6.9
268.13202	0.6
268.57230	0.3
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	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.78133	0.8
53.03948	4.6
55.01870	1.9
55.05510	5.8
57.03188	1.4
57.03442	20.4
67.05225	0.9
67.05508	11.4
69.03419	2.4
69.07071	3.1
70.13697	4.7
71.04967	1.3
79.05501	10.7
81.03423	100.0
81.07060	12.3
83.05002	5.7
83.08630	16.4
91.05482	18.0
93.07059	7.8
95.04977	22.1
95.08590	4.7
97.02895	1.9
97.06518	1.3
97.10166	2.6
105.07036	12.1
107.04931	4.5
107.08592	3.6
109.06506	4.2
109.10139	1.2
111.08102	7.2
115.05431	1.7
117.07016	1.2
119.08587	9.6
121.06516	1.8
121.10162	4.3
129.07022	8.0
131.08609	6.5
133.06509	1.7
133.10129	3.7
137.09560	2.2
142.07784	2.5
147.08069	2.9
147.11694	8.8
149.09631	3.7
157.10144	9.0
165.12744	1.3
175.11194	9.6
193.12251	24.8
197.96207	0.9
205.12331	0.8
211.13309	3.5
249.14973	1.8
267.15933	78.5
268.16360	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
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
53.03932	3.7
55.01860	3.3
55.05513	11.6
56.80910	1.1
56.96555	4.9
57.03156	1.1
57.03437	21.5
57.07062	1.3
65.03931	1.1
67.05507	20.1
69.03414	3.4
69.07071	9.1
69.46060	2.3
69.46452	10.3
70.06598	1.8
71.04977	4.1
79.05496	19.4
81.03419	100.0
81.07059	21.5
83.04977	9.9
83.08614	14.9
85.02898	2.0
85.06528	2.8
88.59415	1.1
91.05479	25.4
93.07050	13.3
95.04971	24.0
95.08606	14.4
97.02879	4.1
97.06554	2.5
97.10149	4.5
98.97597	6.3
105.03342	1.3
105.07041	20.3
107.04943	7.4
107.08600	7.5
109.02866	3.1
109.06498	5.0
109.10136	8.0
111.04465	2.6
111.08074	4.8
113.00583	1.5
115.05457	2.2
116.98666	7.0
117.07045	1.3
119.08599	16.0
121.06491	2.8
121.10124	8.0
123.04408	4.7
123.08038	3.0
123.11694	2.6
125.09638	2.0
127.03932	7.6
129.07004	9.5
131.08563	11.0
133.06491	3.7
133.10135	10.3
134.99635	5.3
135.08072	2.0
136.06119	1.3
137.02351	30.4
137.05957	4.0
137.09589	3.2
142.07771	1.8
145.10097	1.8
146.74672	1.3
147.08031	4.9
147.11687	11.4
149.09605	5.6
151.07590	1.4
151.11169	1.4
153.05466	1.5
157.10132	13.1
158.99715	2.1
161.05951	2.5
161.09637	2.4
161.13191	1.9
163.07506	1.5
163.11150	1.2
165.07109	1.7
165.12737	4.2
175.07523	1.9
175.11200	9.5
177.00705	4.2
177.05569	1.7
177.09102	2.4
183.04723	2.5
185.13234	1.4
186.10873	1.3
189.09111	1.3
189.12721	1.6
193.12245	23.4
197.65063	1.1
203.10699	1.2
203.14343	1.8
206.08844	1.4
207.08223	1.3
207.13786	1.6
209.05959	1.5
211.13214	2.9
223.09657	1.5
224.08302	2.7
231.13855	4.1
235.07527	2.4
239.10869	2.4
249.07622	1.8
249.11069	3.0
249.14880	9.7
252.07849	2.5
258.12921	1.9
265.84622	1.3
267.10077	12.2
267.15927	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1227
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
55.01850	1.9
55.05511	5.7
56.96578	4.4
57.03438	11.5
57.07053	3.2
67.05508	12.8
69.03425	5.0
69.07068	5.6
70.91238	4.5
71.05005	5.0
73.02921	3.1
79.05488	10.3
80.84931	1.9
81.03427	36.7
81.07063	19.5
83.04980	4.8
83.08623	6.9
85.02895	2.9
85.06557	2.3
87.04485	2.1
90.16811	1.9
91.05491	15.9
93.07071	8.9
95.04987	10.8
95.08604	8.5
97.02882	3.7
97.06543	8.7
97.10177	2.2
98.97598	9.5
105.07032	13.6
107.04971	6.5
107.08595	6.1
109.02887	12.8
109.06547	3.2
109.10161	6.0
110.03175	2.9
111.04478	1.9
111.08083	4.2
113.05994	1.6
115.05463	5.3
116.98629	5.1
117.07032	4.2
119.04906	2.9
119.08594	11.8
121.02869	2.8
121.06533	2.4
121.10165	8.7
123.08051	3.4
123.11673	3.0
125.09644	2.2
128.06235	4.8
128.98592	2.0
129.07021	12.7
131.07692	2.1
131.08578	14.2
133.06512	3.3
133.09209	1.8
133.10136	6.8
135.07964	2.1
135.11694	2.3
136.06149	1.7
137.05971	3.0
139.03789	2.0
141.06993	5.2
142.07797	4.5
143.08563	2.8
144.05710	6.4
145.06496	5.7
145.10097	3.3
147.04402	2.8
147.08086	2.4
147.11705	7.8
149.09584	3.9
151.03893	8.7
153.05525	8.0
153.06667	1.9
157.06511	6.0
157.10110	4.5
158.99710	3.4
159.08064	20.9
161.01288	1.7
161.06049	6.0
161.09616	6.3
163.03937	2.1
165.12735	1.8
167.07056	2.3
169.06444	2.0
170.07312	4.6
171.08081	5.5
172.05209	2.7
173.06068	2.7
174.06799	2.1
175.07590	4.9
175.11247	4.3
177.00777	3.3
177.05499	5.7
177.09108	1.9
185.13303	2.2
187.07544	13.2
189.05402	2.4
189.09167	5.7
191.03912	8.0
193.12256	8.3
200.02560	1.8
200.04472	5.1
203.07082	5.8
204.07803	9.3
207.09981	2.2
211.55193	2.7
216.07857	2.9
219.01801	4.8
219.10201	6.7
221.08163	2.1
221.11877	2.7
231.10219	1.9
237.02863	7.4
237.11156	3.2
249.11246	100.0
249.18541	2.4
250.11545	2.3
260.04703	2.0
261.02939	2.3
267.10126	11.6
267.12747	2.7
267.15918	30.9
279.03915	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82460	2.3
53.01057	2.2
53.03959	4.8
54.04283	2.2
55.05506	6.8
57.03451	11.4
57.07063	2.5
59.05003	7.5
65.03929	3.0
67.05511	11.0
69.03429	4.1
69.07057	6.1
70.06578	6.5
70.97915	7.7
79.05489	9.9
81.03426	67.4
81.07049	10.7
82.03751	8.8
83.08616	9.3
89.06041	6.2
91.05492	18.1
93.07030	6.4
95.04970	13.4
95.08630	8.4
97.02911	3.3
97.06523	7.8
97.10141	2.6
98.97591	7.7
103.05473	5.4
105.03377	3.8
105.07046	26.2
107.08627	4.5
109.02888	76.7
109.06500	2.6
109.10155	6.1
110.03215	53.3
111.08076	2.7
113.07913	3.6
113.17970	2.4
115.05470	6.7
116.98595	3.0
117.07013	3.9
118.04154	3.2
119.08602	8.9
121.06494	2.9
121.10107	3.0
123.04490	2.6
124.07626	2.8
128.06245	5.1
129.07008	16.1
131.04956	5.5
131.08549	16.9
132.05684	4.6
133.06494	18.2
133.08609	4.7
133.10141	4.6
138.17667	2.3
140.07179	2.2
141.07005	5.2
142.07843	3.8
143.08646	2.8
144.05707	6.1
145.06543	3.5
146.03635	25.9
146.07269	2.9
147.04391	4.9
147.11749	5.1
153.05470	7.4
157.06525	5.6
157.10181	5.7
159.08089	19.9
160.05305	3.8
161.06012	27.8
163.03966	5.4
163.07535	3.3
163.11195	3.1
168.51732	2.7
169.07768	2.8
170.07365	5.6
171.08064	4.0
172.05141	3.6
175.07539	3.1
175.11162	5.9
177.01866	6.4
177.05505	12.2
178.06265	76.6
187.07565	13.4
189.09096	7.1
190.06351	3.9
191.07062	11.2
192.07819	3.6
193.08588	29.3
193.12277	11.7
203.07060	5.3
204.07814	7.4
205.08580	3.9
216.07954	3.0
219.10207	5.6
221.11597	3.0
231.10182	7.2
237.11295	3.4
249.11243	100.0
250.11508	2.7
267.10471	7.4
267.15802	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	267.0866
Annotation	Diaportinol
Peak:m/z	Relative Intensity
51.87850	1.2
55.01866	1.7
55.05502	1.9
56.96554	2.1
57.03419	1.8
57.07061	2.4
57.63318	1.2
61.02924	6.8
65.03958	1.4
67.05495	1.8
69.03432	2.5
69.07071	5.9
69.66138	1.2
69.67033	4.8
69.67461	3.6
70.06596	14.6
71.04990	1.8
72.08144	1.3
73.02905	3.7
76.82832	1.3
79.05513	1.8
79.73919	1.1
81.03417	2.5
81.07062	2.4
83.81864	1.1
84.08150	1.5
85.02915	3.8
85.27012	1.2
87.08128	2.8
89.03912	1.6
91.05488	5.6
93.07053	2.5
95.04998	2.3
95.08603	2.8
97.02910	7.7
98.21473	2.2
102.96086	1.4
103.03939	8.3
103.05446	3.1
105.03445	1.5
105.07021	6.2
107.04951	1.6
107.08599	1.6
109.02897	2.8
109.10155	1.3
115.05449	4.8
119.04966	10.8
120.04497	1.4
120.08147	1.8
121.02876	1.5
123.04407	2.4
125.05991	2.7
131.04893	1.8
132.04456	3.3
133.02856	4.9
133.04904	1.2
133.06497	5.1
135.04509	1.3
136.06203	5.7
137.05998	5.3
143.04982	2.3
147.04420	22.4
147.08098	1.2
149.06013	2.4
150.03104	2.3
151.07536	2.3
153.05479	23.8
159.04457	1.6
160.05244	1.2
161.05978	10.8
162.03111	11.5
163.03888	2.5
164.04729	1.8
165.05476	4.8
165.09264	1.3
167.07045	6.2
171.04396	3.2
175.03943	3.9
177.05479	100.0
179.05728	1.4
179.06999	3.5
179.08287	13.6
184.30145	1.0
189.05455	7.4
192.04202	11.5
193.04985	1.6
203.07024	8.5
205.04947	8.5
207.06477	21.9
221.88557	1.2
231.06470	9.0
249.07523	6.6
249.14903	1.3
267.08435	12.6
267.11136	2.4
267.13434	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	267.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
55.05507	4.0
56.96553	1.3
57.03441	1.5
57.07067	1.1
67.05503	4.2
69.03397	1.8
69.07050	2.4
70.10884	4.1
73.02917	0.8
73.37462	0.7
79.05477	1.8
81.03431	4.1
81.07040	2.9
83.04984	0.8
83.08620	1.9
84.81194	0.8
91.05467	3.4
93.07036	2.4
93.33005	0.8
95.04966	2.1
95.08607	3.7
97.06523	1.3
98.10476	0.8
98.21552	0.8
100.11248	6.6
105.07013	3.1
107.04974	1.4
107.08577	1.9
109.02881	2.4
109.10187	2.0
111.08096	1.0
116.98596	1.1
117.13902	0.9
119.08572	2.1
120.08101	2.0
121.02858	1.2
121.10157	2.7
123.04463	0.8
129.06927	1.6
131.08591	1.3
133.10164	1.8
135.07964	0.8
136.52155	0.7
140.50929	0.8
147.11665	1.6
157.10130	1.4
168.13849	1.6
182.15430	1.1
185.16479	4.1
191.07037	1.0
194.05991	1.0
221.11769	0.8
223.09579	1.1
239.11673	1.6
249.11328	1.4
249.14758	1.0
267.12061	100.0
267.20712	5.3
268.12378	1.5
285.11948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1228
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
55.05507	2.5
56.96563	1.3
57.03450	2.2
65.14209	1.5
67.05509	3.4
69.03438	2.5
69.07073	2.7
71.57231	2.8
78.46253	1.3
79.05500	3.8
81.03422	16.8
81.07075	2.5
91.05494	5.8
93.07066	3.0
95.04974	2.1
95.08611	2.0
97.06549	4.6
98.97620	1.5
103.05458	1.5
105.07029	6.4
107.04962	2.8
107.08634	1.8
109.02894	7.5
109.06548	1.5
109.10146	1.8
115.05484	3.3
116.06270	2.9
117.07018	2.3
119.08586	2.5
121.10124	1.7
123.08070	1.2
128.06245	5.8
129.07004	13.7
131.08589	15.9
132.05736	1.5
133.06564	2.9
133.10153	2.7
133.26859	1.4
137.09518	1.3
141.06970	6.9
142.07802	2.9
142.50395	1.2
143.08560	2.8
144.05716	7.5
145.06487	3.7
146.07245	2.5
147.04506	1.7
147.08063	1.6
149.06062	1.3
157.06506	7.6
157.10309	1.8
158.07315	1.6
159.08057	22.0
161.06017	4.6
161.09648	5.1
167.07034	2.3
168.90158	1.2
169.07645	2.3
170.07291	3.9
171.08017	3.0
172.05284	2.4
173.06046	3.8
174.06848	1.9
175.07639	3.8
175.11200	1.6
187.07535	14.5
189.09084	7.2
191.06960	2.0
193.12302	3.2
199.07591	1.2
201.05504	2.3
203.07077	3.0
204.07921	7.7
205.08650	1.7
216.07857	2.5
219.10176	5.6
221.11707	2.4
231.10146	2.1
237.11221	2.0
249.11238	100.0
250.11523	2.6
267.10413	2.6
267.15970	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	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.2
55.01833	0.9
55.05487	0.9
56.96533	1.5
69.03398	1.2
69.07042	0.6
70.06595	50.4
70.06953	1.6
70.48497	1.1
70.48849	1.4
71.01327	0.8
71.04958	0.7
81.03419	7.5
81.07025	1.0
85.02879	1.5
91.05453	1.1
93.07043	0.8
95.04992	0.8
97.02868	1.3
98.97562	1.2
105.07068	0.9
107.04942	0.8
109.02883	15.3
110.08045	0.5
111.08101	0.5
112.07550	1.2
116.08444	0.5
116.98593	1.1
121.02865	1.5
122.03195	1.8
127.03958	3.0
128.05289	1.0
128.98578	0.8
130.08643	100.0
137.02348	78.0
137.03415	5.7
138.17932	0.5
146.99701	0.7
177.00839	0.8
181.04993	0.9
206.08244	2.0
234.07867	0.9
237.03001	0.8
266.03870	0.5
266.07874	0.9
266.10464	4.7
266.15903	0.8
275.09003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	7.5
56.96547	14.6
59.14117	5.1
62.06537	5.6
63.06844	5.6
67.05499	13.2
69.07097	4.6
70.06578	7.2
70.28542	18.5
73.46120	5.4
79.05493	5.2
81.03416	10.4
81.07043	8.2
91.05466	13.1
93.07066	8.9
95.08591	11.0
98.97580	23.4
100.80840	4.8
105.07019	14.5
107.04973	6.1
109.02875	19.2
111.04410	5.4
115.14014	5.2
116.98620	23.6
117.49335	4.7
119.08554	7.2
128.19763	5.2
132.08113	7.1
133.08829	16.6
133.68221	5.0
134.09615	16.4
134.99673	9.9
137.05971	7.4
145.08987	5.4
148.11211	65.1
158.99687	12.3
159.11674	5.9
160.11206	61.6
161.05952	10.8
162.12761	10.6
163.07642	5.6
165.11490	8.1
174.06366	6.3
177.00739	16.7
178.12218	8.9
185.13280	8.4
192.13847	51.3
194.05911	5.3
206.11827	48.6
220.13348	100.0
239.03404	6.8
248.12859	14.7
263.45764	5.9
265.08643	5.5
266.13870	35.9
266.17447	12.9
267.11893	8.7
270.01276	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	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03947	2.5
55.05515	43.5
57.07084	16.2
58.75717	2.4
60.02256	2.7
60.05345	2.3
67.05504	42.6
69.06716	4.3
69.07073	64.6
71.04986	4.2
71.08634	11.3
79.05492	20.7
81.07060	49.2
83.08617	38.8
85.06531	3.0
85.10168	6.7
85.36188	3.0
91.05464	2.5
93.07051	28.8
94.79086	2.8
95.05014	3.3
95.08610	46.9
97.06548	13.4
97.10180	30.9
99.08083	2.7
102.92875	2.4
107.08595	16.2
109.10152	21.8
111.08089	10.6
111.11729	8.9
119.08576	4.8
121.10151	40.5
123.11698	9.9
125.09656	4.3
135.11716	30.2
137.13269	4.4
139.11182	2.5
148.22472	2.6
149.13292	14.6
149.66321	2.4
151.14798	3.9
163.14812	5.0
165.16418	6.1
213.93326	2.6
214.01335	2.7
247.24274	39.9
265.17868	5.1
265.22095	4.1
265.25278	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19156	0.1
71.23408	0.2
82.99905	0.2
101.00878	1.4
119.01922	10.2
120.01997	0.1
122.97887	0.2
134.99864	0.8
137.02962	3.9
140.98848	0.2
142.03484	0.3
153.00955	0.5
158.99864	0.9
160.04584	0.1
165.34103	0.1
165.99611	0.2
170.73105	0.1
175.03046	0.3
177.00952	22.9
178.01112	0.6
179.01382	0.2
182.99846	0.5
183.01317	0.1
193.04047	0.6
195.01936	0.6
199.02948	0.2
200.02635	0.5
201.00934	1.2
201.02496	0.3
209.98570	0.1
217.04080	3.8
218.03920	0.1
219.02005	27.8
219.94569	0.2
220.02144	1.7
221.02043	0.1
225.00835	2.5
227.99687	0.1
237.02994	0.1
237.95497	0.1
240.05534	0.1
242.03679	1.1
243.01962	7.1
244.02142	0.2
260.04611	0.2
261.03058	100.0
262.03183	2.2
263.03452	0.5
266.03470	0.6
275.04584	0.2
284.04660	5.3
285.04822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
56.96564	0.3
67.05486	0.3
69.03438	0.3
69.67184	0.4
69.67598	1.8
70.06603	3.9
72.08202	0.2
73.36557	0.2
78.50684	0.2
78.73965	0.3
81.03423	23.9
84.44395	0.3
85.02905	0.5
93.07142	0.2
97.02891	0.5
109.02885	100.0
109.10215	0.3
110.03228	0.8
112.07597	2.6
131.08543	0.2
140.07101	1.2
166.75162	0.2
178.06253	0.4
178.08725	0.3
208.90134	0.3
224.09302	1.1
266.07590	0.5
266.10233	5.6
266.18097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2165
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
51.79193	1.6
53.03942	2.3
53.07761	1.8
53.73308	1.4
55.05518	9.0
56.96579	3.0
57.07077	2.7
59.82321	1.5
63.91193	1.5
65.03936	1.8
67.05510	100.0
69.03432	1.7
69.07072	11.3
71.04980	1.4
71.59917	3.1
79.05502	12.5
81.03390	1.8
81.07063	97.0
83.04976	3.0
83.08620	5.5
85.02891	1.9
85.06516	3.3
91.05486	4.7
93.07056	14.3
95.04976	2.3
95.08614	86.8
97.10149	3.4
105.07066	3.6
107.08604	11.2
107.84062	1.6
109.10165	64.0
111.04411	1.9
111.11691	1.7
117.07014	3.1
119.08565	3.3
121.10150	6.9
123.08088	2.4
123.11711	30.8
130.05666	1.5
131.08542	3.6
133.10117	2.6
135.08136	2.0
135.11710	6.1
137.09521	1.8
137.13257	5.5
145.10123	2.5
147.11696	4.1
149.09647	3.3
149.13277	4.3
151.14903	1.9
159.11757	2.6
163.11223	2.1
165.12837	2.4
173.13278	2.3
177.12712	1.9
183.20268	1.5
187.14812	2.8
188.59781	1.5
209.15326	3.5
229.19606	2.6
247.20459	3.3
265.18488	3.4
265.21661	69.8
266.21762	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	(E)-Nerolidol acetate
Peak:m/z	Relative Intensity
50.63651	1.0
53.03960	1.2
55.05518	10.5
56.96546	2.5
57.03460	1.1
57.07077	7.1
65.03933	3.6
67.05507	99.3
69.07074	11.6
69.33146	2.8
69.33564	10.3
70.02250	1.0
71.04992	2.6
72.57886	1.2
79.05495	12.2
81.03434	1.3
81.07059	100.0
83.08625	6.3
85.06510	1.7
91.05476	4.3
93.07051	11.7
95.08611	85.0
97.06509	2.3
97.10174	1.9
99.08076	1.9
105.07047	2.8
107.08595	10.0
109.06477	1.5
109.10162	70.4
110.33658	1.2
117.07037	1.5
119.08595	2.8
121.10170	7.1
123.04417	1.3
123.08111	1.9
123.11711	32.6
125.09618	1.8
131.08582	2.9
133.10104	3.6
135.08069	2.5
135.11676	4.6
136.91707	1.2
137.13261	8.0
145.10167	3.0
147.11688	3.7
148.37642	1.3
149.09622	2.2
149.13252	4.2
151.14798	1.6
158.30031	1.3
159.11716	2.2
163.11205	2.2
165.12717	1.4
167.10649	1.3
171.07422	1.3
173.13239	3.6
177.12773	2.7
181.12215	2.3
187.14833	1.7
195.13818	3.5
196.53185	1.3
199.77133	1.3
209.15370	4.7
223.16742	1.9
229.19539	2.6
247.20599	5.8
260.17484	1.3
265.12076	2.2
265.18362	4.8
265.21643	88.0
266.21832	1.7
279.79184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03942	2.0
55.05518	6.5
56.96569	1.0
57.07066	2.4
60.90218	1.0
65.03936	2.7
67.05508	100.0
69.07085	6.7
70.01711	5.9
71.04987	2.2
72.67618	1.2
79.05495	10.1
81.07060	93.8
83.08612	4.6
85.06530	1.7
91.05470	3.1
93.07056	8.3
95.04965	2.3
95.08608	65.2
97.06512	3.2
97.10145	1.7
98.47892	1.0
99.08083	1.6
99.89776	1.1
105.07052	3.9
107.08606	7.4
109.10161	52.2
111.08070	1.4
117.07032	1.5
119.08578	3.4
121.02933	1.4
121.10138	7.5
123.08100	2.0
123.11718	27.5
127.07581	1.1
128.61557	1.1
131.08568	4.6
133.10117	3.1
135.08008	1.2
135.11775	5.3
137.13251	7.2
145.10136	2.7
147.11676	4.0
149.09619	2.5
149.13252	4.5
151.11119	1.8
151.14743	1.3
155.56583	1.2
159.11763	2.7
163.11186	2.8
163.14766	2.6
165.12740	1.8
173.13266	4.3
177.12709	1.9
181.12279	1.5
187.14836	2.6
191.14313	1.6
195.13794	3.4
201.85071	1.0
209.15410	4.6
218.68266	1.4
223.17058	1.7
229.19562	3.6
247.20662	5.3
265.12064	2.1
265.18683	1.7
265.21661	29.8
265.24567	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
53.03942	2.7
54.92897	3.2
55.05510	6.0
56.96555	5.9
57.07074	6.4
57.73460	2.4
59.95340	2.6
60.28761	3.2
61.99969	3.1
67.05495	8.8
68.99786	3.7
69.03424	14.4
70.85790	3.1
70.86143	7.9
71.04969	3.5
73.43199	2.6
78.76888	2.9
79.05486	12.2
80.63137	2.7
81.03414	6.8
81.07053	6.4
83.04981	42.5
83.08621	2.6
85.06519	3.4
87.04427	2.7
91.05491	17.9
93.03365	3.7
93.07061	16.6
95.04964	9.8
95.06048	3.8
95.08575	5.9
97.02873	6.2
97.06536	3.9
105.07033	12.5
107.04984	3.2
107.08595	29.2
109.02893	16.1
109.06510	11.4
109.10178	5.4
111.04439	25.6
111.08121	7.9
113.06016	11.2
115.05431	3.5
117.07005	9.5
119.08593	19.5
121.02877	6.7
121.06496	37.2
121.10164	6.7
123.08062	10.7
129.07016	4.4
131.08591	15.5
133.06482	3.3
133.10117	9.2
135.07091	5.8
135.08054	60.3
137.05946	6.6
137.09602	6.3
143.08530	5.3
144.09396	4.9
145.06479	13.3
145.10159	8.6
146.07101	2.7
147.08066	3.1
149.05966	6.6
149.09656	15.3
153.09065	10.6
157.10078	3.2
158.10887	6.9
159.08075	6.2
159.11681	17.9
161.09631	8.0
163.07545	50.3
163.11195	9.4
165.09149	5.1
172.08842	8.6
173.09662	15.9
173.13277	30.8
177.12785	5.9
177.20152	3.1
183.11765	5.3
186.10416	11.6
187.11182	47.9
191.07001	16.7
194.16414	5.6
195.08038	3.3
196.08682	3.3
201.12729	48.2
205.08540	3.7
205.12242	20.9
209.08104	4.7
211.11227	6.1
219.13832	23.1
229.12230	59.7
247.13301	100.0
265.14499	17.9
265.17108	2.7
287.05551	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	265.1436
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
50.14680	4.3
50.43885	4.3
53.03948	6.8
55.01866	6.5
55.05515	11.3
56.05029	5.3
56.96564	11.6
57.03439	6.4
65.03932	8.3
67.05511	21.4
69.03438	39.0
69.07058	7.3
70.06586	12.6
71.05011	5.1
71.51480	8.0
72.08164	21.1
76.03994	5.0
79.05505	17.3
81.03423	15.9
81.07062	24.1
83.04994	10.0
84.04512	10.0
84.08160	7.6
85.02917	14.9
91.05479	41.9
93.03420	6.1
93.07059	39.2
95.04969	37.0
95.08607	18.1
97.02876	11.4
97.06539	8.8
99.04446	6.2
100.13481	3.9
103.05504	5.4
105.07030	60.4
107.04989	6.1
107.08581	21.8
109.02890	21.8
109.06554	28.3
109.10175	9.3
111.04434	29.5
111.08095	10.1
111.61481	4.0
113.06012	13.6
114.10307	11.2
115.05445	7.7
116.98645	5.2
117.07034	24.3
119.08581	72.6
120.08138	5.9
121.02876	17.7
121.06509	35.6
121.10138	20.7
122.07158	13.8
123.04443	6.2
123.08032	44.8
127.03928	8.9
128.06293	8.8
129.07019	13.3
131.04929	8.7
131.08575	34.7
132.04559	5.3
132.05688	4.3
133.06517	9.0
133.10147	20.8
135.08055	67.0
137.06018	6.4
137.09608	10.0
139.03935	14.0
139.07530	10.4
141.06998	9.1
142.07800	8.5
143.08565	12.4
144.09395	5.1
145.02895	5.0
145.06500	15.5
145.10114	24.9
147.08044	34.1
147.11670	13.0
149.05991	6.8
149.09625	12.2
151.07503	7.0
153.09105	4.3
155.08569	5.3
156.09302	4.4
157.06494	6.9
157.10149	19.2
158.07259	16.2
159.08076	35.2
159.11696	35.5
161.05902	5.9
161.09645	37.3
163.07574	9.5
165.09137	33.3
167.07053	6.8
168.09315	6.0
171.08035	6.5
171.11702	6.8
172.08870	17.0
173.06021	7.1
173.09668	11.5
173.13280	27.3
175.07541	53.3
175.11130	26.1
177.05521	15.7
183.11674	10.1
185.09602	7.4
186.10376	4.2
187.07568	7.9
187.11166	33.0
189.09134	14.6
189.12730	12.0
191.07161	7.5
193.08672	29.5
199.11208	9.2
201.12721	32.4
203.10698	43.1
205.08627	8.4
205.12213	13.2
207.10201	5.8
211.11156	19.2
217.04834	6.0
217.08330	4.4
217.12267	24.0
219.06593	6.7
219.13861	13.0
229.12219	26.6
235.13263	6.2
246.69856	3.7
247.09479	5.0
247.13210	50.9
265.07162	5.2
265.08078	4.8
265.11136	33.1
265.14597	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.44747	5.2
55.05517	15.9
56.82214	5.6
64.30912	5.6
65.03941	9.0
67.05511	39.5
69.03431	45.5
69.07068	13.1
69.82932	5.3
70.06597	10.3
70.97496	8.4
70.97839	12.5
71.04987	8.6
72.08144	13.6
79.05499	31.4
81.03412	8.6
81.07065	24.2
83.04990	10.3
83.09637	5.0
84.04543	7.6
85.02895	12.0
91.05482	52.6
93.07063	45.5
95.04967	51.8
95.08613	39.0
97.02912	5.7
97.06534	10.3
99.04449	6.7
103.05456	8.3
105.07026	73.2
107.04997	8.7
107.08604	22.2
109.02861	12.2
109.06529	33.2
109.10160	13.9
111.04428	29.4
111.08099	13.3
113.06017	20.0
114.10292	7.5
115.05429	7.5
117.07034	19.4
119.08584	94.7
121.02885	16.3
121.06507	56.8
121.10143	17.1
122.07105	7.8
123.08037	39.3
128.06252	8.7
129.07024	22.0
131.08580	40.5
132.16521	5.9
133.06531	13.0
133.10132	23.8
135.04424	9.7
135.08047	92.9
135.33177	5.8
137.09644	19.3
139.03940	16.1
139.07590	9.3
141.07042	9.7
142.07709	13.2
143.08577	19.0
144.05742	9.0
144.09293	6.8
145.02858	14.3
145.06516	17.6
145.10133	37.0
147.08055	52.7
147.11708	24.7
149.06001	8.8
149.09653	9.0
151.07533	12.3
155.08571	14.1
156.09311	5.8
157.10126	30.8
158.07259	25.9
159.08035	39.0
159.11700	45.6
160.08873	6.9
161.05923	6.4
161.09637	43.0
165.09148	38.2
167.06981	6.5
168.09401	12.0
169.10136	8.9
170.07285	5.6
171.08087	6.6
171.11734	12.8
172.08859	33.3
173.06001	5.7
173.09625	24.6
173.13297	24.7
175.06081	6.7
175.07574	99.3
175.11169	50.5
177.05495	25.8
183.11665	10.0
185.09682	7.7
186.10474	13.9
187.07561	11.4
187.11162	38.5
189.09094	14.0
189.12776	18.4
193.08566	30.7
193.10162	7.3
196.08905	12.5
199.11195	15.1
201.12773	50.1
203.07211	6.2
203.10698	66.1
205.12210	12.3
211.11206	29.0
217.12267	28.9
219.13823	9.4
229.12241	37.1
235.13232	12.0
244.08844	8.1
244.58925	6.6
247.13261	75.7
265.11285	14.5
265.14514	100.0
280.46808	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03941	8.5
55.01861	11.7
55.05510	22.2
56.96557	11.2
57.07082	6.4
65.03944	11.4
67.05508	32.4
69.03434	52.6
69.07059	12.8
69.62511	5.3
70.00783	33.2
70.06590	15.4
71.04997	12.5
72.08173	11.0
73.02967	6.0
79.05496	23.3
79.39123	5.7
81.03428	11.9
81.07050	32.0
83.04990	12.1
83.08623	5.9
85.02900	28.1
91.05487	56.2
93.03391	11.8
93.07058	49.3
95.04974	55.3
95.08614	31.3
97.02924	10.7
97.06565	14.2
98.97602	8.6
99.04502	8.8
103.05469	7.8
105.07043	87.7
107.04943	13.5
107.08617	22.8
109.02902	22.2
109.06540	37.6
109.10191	13.4
111.04449	43.0
111.08077	15.0
113.06013	14.7
114.10305	11.3
115.05400	9.4
117.06998	30.9
119.08588	100.0
120.08123	23.5
121.02888	21.7
121.06516	50.1
121.10184	18.9
122.07184	5.9
123.08061	34.6
128.06244	13.5
129.07018	23.0
130.07768	8.8
131.04959	7.0
131.08591	51.6
133.06516	13.6
133.10181	27.7
134.09651	9.4
134.99654	7.4
135.08061	87.7
135.10025	14.7
137.09618	16.5
139.03937	14.3
139.07581	15.8
141.07004	11.8
142.07826	9.4
143.08582	21.1
144.09337	10.0
145.02858	10.5
145.06526	25.9
145.10133	39.8
146.07260	6.1
147.08060	52.7
147.11713	21.2
149.06001	9.8
149.09566	9.6
153.09149	7.4
155.08563	13.4
156.09271	6.7
157.06487	11.5
157.10139	21.6
158.07317	31.6
158.99646	6.5
159.08058	47.5
159.11732	40.3
161.06013	7.2
161.09651	51.7
163.07509	6.5
165.09093	35.3
167.07031	10.9
168.09410	8.0
169.10207	13.3
171.08072	16.8
171.11671	16.2
172.08855	25.7
173.05971	8.4
173.09630	18.5
173.13266	25.9
175.07564	82.2
175.11118	33.7
177.00627	8.0
177.05481	13.6
183.11687	14.2
185.09584	12.7
185.13165	6.0
187.07602	11.5
187.11172	56.0
189.09157	19.1
189.12794	13.3
193.08609	23.6
193.10248	6.6
196.08865	9.4
199.11128	17.4
201.12721	40.3
203.06992	11.9
203.10652	59.4
205.08563	6.6
205.12314	10.6
207.10083	8.8
211.11179	17.0
216.12546	7.3
217.12267	23.3
219.13779	10.6
229.12190	35.2
235.13332	10.1
241.03864	8.0
247.13574	55.0
255.37503	5.7
265.14990	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1071
Annotation	Peucedanol
Peak:m/z	Relative Intensity
53.25114	1.7
55.01880	2.7
55.05513	5.4
57.03426	2.1
57.07062	2.8
63.80289	1.4
67.05504	7.7
69.07067	11.2
71.04984	5.7
71.59882	3.3
79.05502	7.0
81.03425	4.9
81.07064	12.2
83.08623	6.5
85.02908	3.5
85.06551	2.0
85.19024	1.5
91.05473	8.3
93.07043	8.3
93.34270	1.8
95.04988	3.7
95.08601	11.1
97.06537	2.2
97.10184	2.0
98.97583	2.3
99.08178	1.6
103.05457	8.2
105.07014	6.4
107.04958	4.8
107.08607	4.9
109.02899	2.2
109.06505	2.6
109.10177	7.6
111.08128	2.1
115.05466	7.6
117.07001	8.4
119.08582	3.0
121.02950	2.0
121.06489	4.0
121.10144	6.5
123.04433	2.4
123.08118	2.5
123.11692	2.7
125.05997	2.3
129.07004	4.3
131.04947	12.5
131.08557	11.6
133.06448	1.8
133.10124	1.8
135.04436	5.4
135.08008	3.7
135.11711	2.8
137.05988	2.1
141.06978	16.2
144.05675	4.1
145.06470	12.7
145.10147	3.3
147.04468	2.7
149.06001	25.3
149.09639	2.3
149.13176	2.7
153.05502	4.3
155.06049	1.8
157.06543	2.3
159.04460	2.7
159.08069	12.4
160.05217	4.3
161.05972	12.8
163.03911	16.6
163.07544	4.2
167.07056	6.6
169.06500	22.2
173.05981	15.9
175.07607	2.8
176.04739	10.6
177.05472	64.0
177.09038	10.5
179.33987	2.0
181.05009	2.6
187.07550	23.9
189.05469	12.2
189.09148	4.5
190.06245	6.2
191.07048	3.2
193.08698	2.4
197.06001	16.3
200.04669	3.9
203.07072	4.7
205.08589	44.6
211.14848	2.1
215.07025	100.0
217.08615	5.3
219.10289	3.1
221.08061	4.4
230.79021	1.8
233.08066	25.9
247.09607	11.1
247.13394	4.1
247.17010	5.8
265.03238	2.0
265.10764	18.0
265.14243	3.2
265.18057	5.7
265.25381	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.10603	2.3
53.03928	4.2
55.05513	13.9
57.07073	14.6
57.55354	2.3
64.34463	2.1
67.05510	75.4
69.07084	14.5
71.08631	6.9
71.59882	3.2
79.05496	17.6
81.07062	85.5
83.08634	13.2
85.06559	2.6
85.10165	2.7
91.05485	20.4
93.07052	21.5
95.08614	84.8
97.06528	7.0
97.10152	5.7
99.08090	7.4
100.48270	2.2
104.99274	3.2
105.07053	12.1
107.08610	12.8
109.06490	3.4
109.10160	48.0
111.08107	3.7
116.83541	2.4
119.08568	12.4
119.90523	2.6
121.10164	15.0
123.08121	2.9
123.11707	21.8
133.10146	17.0
135.11682	8.4
137.09608	3.1
137.13251	10.3
138.48480	2.4
147.11682	14.7
149.13266	8.8
151.14856	8.8
161.13283	11.3
163.14833	8.4
165.16373	11.4
175.14815	5.5
177.16446	2.8
179.17958	5.1
189.16431	4.0
245.22679	39.1
247.11696	5.7
248.12378	5.6
263.14691	41.7
263.17322	3.4
263.23730	100.0
264.24112	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0709
Annotation	7-Acetoxy-5,6-dimethoxycoumarin
Peak:m/z	Relative Intensity
51.96356	0.4
54.79095	0.4
55.05519	0.5
56.96569	0.5
58.86239	0.4
67.05498	0.8
69.07069	0.6
70.06585	1.1
70.20493	1.3
70.20892	1.0
72.08142	0.6
79.05473	0.7
81.03437	1.0
81.07037	1.1
91.05490	1.0
93.07028	0.9
95.04968	0.7
95.08610	0.7
97.02920	0.8
98.21439	0.4
105.07045	1.0
107.05000	0.5
107.08608	0.7
109.02902	2.2
114.10329	2.1
116.98678	0.7
119.08620	0.8
121.02850	2.5
121.10136	0.9
131.08569	1.1
133.10117	0.7
136.06175	1.8
137.05952	0.7
139.05861	0.4
145.06331	0.4
147.04300	0.5
147.08028	0.6
159.08043	0.5
159.11749	0.5
163.03952	1.6
167.03404	4.1
169.10178	0.5
176.04701	0.9
177.05460	0.7
187.07492	1.0
191.07098	0.6
193.08627	0.6
201.12683	0.5
204.04193	13.0
205.04984	9.2
206.05771	7.7
214.58440	0.4
219.06552	12.7
219.08557	0.8
219.10054	0.8
222.05229	0.6
232.03693	3.7
234.13484	0.6
247.06099	0.5
247.09760	0.8
247.14323	0.5
250.04773	15.2
251.01950	0.5
265.07092	100.0
266.07526	2.1
266.09952	0.5
266.16135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.11929	0.8
53.03936	1.5
55.05265	1.0
55.05510	13.5
57.03404	1.4
57.07084	11.4
65.03925	2.1
66.99321	1.0
67.05507	84.6
69.07070	16.9
70.23647	1.6
70.24036	1.5
71.04974	2.1
71.08350	0.7
71.08633	8.3
79.05062	1.4
79.05498	20.2
81.07060	100.0
83.04973	1.9
83.08619	15.8
85.06535	4.7
85.10169	2.9
90.39061	1.1
91.05482	16.2
93.07053	21.1
95.04963	1.7
95.08610	85.7
97.06530	8.6
97.10174	7.4
99.08098	6.2
104.99287	1.3
105.07034	8.2
107.08591	14.0
109.10159	49.2
111.08084	4.0
111.11739	1.5
113.09632	4.1
119.08573	10.7
121.10146	16.4
123.08051	2.5
123.11712	21.3
125.09638	1.6
127.11184	1.6
133.10124	17.5
135.11696	10.2
137.09650	2.1
137.13255	10.2
141.12740	3.4
147.11670	12.0
149.13266	10.0
151.11180	1.7
151.14827	10.1
155.14267	3.4
161.13260	13.5
163.14824	9.1
165.16380	10.8
175.14844	10.6
177.16373	1.8
179.17978	5.8
181.15941	1.4
189.16457	4.5
203.17877	1.0
217.19542	1.8
219.21088	1.4
241.42772	0.9
245.22647	40.3
246.22963	1.2
263.23706	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03942	1.4
55.05513	15.8
55.05780	0.9
56.96568	0.6
57.03435	2.0
57.07077	11.4
65.03932	1.8
67.05506	89.1
69.03458	0.9
69.06719	1.1
69.07072	15.4
69.45126	5.8
69.54456	0.6
71.04998	1.7
71.08631	7.0
73.54180	0.6
79.00719	0.5
79.05500	20.4
81.07059	100.0
83.04968	1.6
83.08618	14.2
85.06518	4.0
85.10178	3.0
91.05479	18.5
93.07048	23.5
95.04996	2.5
95.08609	92.9
97.06533	8.3
97.10172	7.7
98.20808	1.5
99.08092	7.5
104.99252	1.9
105.07031	12.8
107.08595	15.0
109.06528	1.4
109.10160	43.2
111.08117	4.8
111.11703	1.3
113.09660	3.9
119.08585	12.8
121.10152	18.5
121.11024	1.1
123.08076	2.6
123.11713	22.9
125.09637	1.4
127.11192	1.5
129.74890	0.7
131.08592	1.3
133.10147	16.3
135.11699	10.2
137.09607	3.0
137.13271	8.2
139.11201	1.1
140.71852	0.6
141.12740	2.3
147.11691	11.2
149.13243	7.9
151.11188	1.4
151.14835	9.1
155.14328	2.5
161.13255	12.7
163.14824	8.1
165.16397	10.6
167.14365	0.7
175.14786	7.6
177.16388	2.3
179.14348	1.1
179.17970	4.8
181.15843	1.3
189.16417	5.0
193.15872	0.9
203.17993	1.3
207.17426	1.2
217.07565	0.8
217.19539	1.9
231.01189	0.7
245.22662	39.9
263.23706	88.6
264.24118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.05517	18.0
57.03444	2.6
57.07076	10.0
65.03941	2.7
67.05508	93.1
69.07076	15.6
69.47115	7.2
69.47547	8.1
71.08614	6.0
79.05495	23.5
81.07061	100.0
83.04986	2.1
83.08620	17.2
85.06583	2.0
85.10166	4.2
89.05762	1.6
91.05488	16.4
93.07051	27.8
95.04987	2.4
95.08612	83.2
97.06534	9.0
97.10165	7.2
99.08089	5.5
105.07047	14.3
107.08586	12.9
109.10165	41.9
111.08076	6.3
119.08605	12.6
121.10144	17.4
123.08047	4.0
123.11723	21.7
127.11172	2.5
133.10158	16.1
135.11674	8.3
137.13249	6.7
141.12706	2.1
147.11687	11.7
149.13264	9.1
151.11137	2.7
151.14801	6.2
155.14354	2.2
159.17981	1.8
161.13254	11.8
163.14847	8.4
165.16414	9.7
175.14825	7.7
179.17957	4.9
181.15858	2.1
189.16402	5.6
217.10193	2.1
217.19633	2.0
245.22668	40.8
263.23715	86.9
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
53.03953	5.8
55.05513	27.6
57.06862	5.2
57.07085	57.8
57.37646	5.3
67.05508	64.5
69.07078	23.1
70.85708	16.0
79.05497	61.4
81.07059	66.9
83.08633	14.0
85.06547	40.5
91.05488	42.9
92.29399	6.1
93.07056	73.0
95.04961	12.8
95.08596	55.9
97.06506	7.5
97.10179	6.6
100.95366	6.3
102.24997	6.8
104.48093	4.9
104.99265	25.4
105.07064	36.6
107.08613	39.9
108.58420	5.6
109.06509	8.5
109.10172	18.6
113.19736	6.6
114.00745	5.3
117.07085	7.0
119.08612	24.0
121.10126	42.5
123.11787	6.0
133.10138	23.2
135.11719	21.6
137.09616	22.9
147.11641	14.5
149.13287	9.3
153.09084	6.8
161.13274	14.3
171.11761	9.3
179.14302	65.3
245.18741	6.1
245.22646	7.9
245.41988	6.1
263.20102	100.0
263.23706	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05513	16.9
57.03426	2.9
57.07059	14.2
65.03918	3.5
67.05506	90.2
69.07059	17.5
69.39024	30.2
70.83036	2.9
71.08635	7.7
79.05495	27.5
81.06584	5.4
81.07056	100.0
82.35284	3.2
83.08621	14.7
85.06537	7.0
85.10187	3.3
85.28273	3.0
90.88584	3.0
91.05469	21.2
93.07037	33.9
95.04984	3.7
95.08607	88.1
97.06510	11.3
97.10169	6.0
99.08092	7.1
104.99290	19.5
105.07022	17.4
107.08584	24.0
109.06535	3.3
109.10158	44.7
111.08060	5.7
113.09613	4.6
119.08562	13.4
121.10147	24.3
123.08036	6.9
123.11721	21.5
133.10139	21.4
135.11699	13.3
137.13232	9.0
147.11702	12.2
149.13235	9.8
151.14798	9.5
161.11896	3.3
161.13239	14.0
163.14807	10.6
165.16376	12.3
175.14777	9.1
179.17935	6.2
182.42972	2.9
189.16432	3.2
192.40013	3.5
245.22676	43.2
263.17590	3.5
263.20111	13.6
263.23700	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.20563	2.6
55.01872	18.3
55.05515	18.7
56.96555	4.7
57.07055	7.3
67.05504	29.5
69.07067	20.6
69.37525	26.4
71.08613	6.5
72.63634	2.6
77.48190	2.3
79.05494	58.1
81.07061	41.4
83.04977	9.8
83.08607	10.6
85.06539	6.1
91.05489	29.3
92.96851	2.6
93.07049	79.2
95.04974	12.1
95.08603	32.5
97.06533	38.4
97.10150	3.2
98.21489	5.1
99.08100	3.4
104.99274	14.7
105.07024	14.7
106.77443	2.4
107.08598	45.6
107.37105	2.3
109.06478	6.1
109.10163	14.2
109.25419	2.5
111.08109	3.1
114.17519	2.3
117.07005	5.1
119.08572	15.5
121.10153	39.9
123.08032	3.3
123.11768	3.5
125.09611	2.7
125.46674	2.8
131.08545	8.0
133.10144	18.6
135.11685	25.3
137.09633	3.9
143.08533	5.5
145.10060	3.9
147.11696	12.3
149.09631	4.2
149.13274	14.8
151.11203	6.2
159.11717	4.9
161.13251	9.4
165.12741	3.7
171.11617	3.6
175.11305	2.7
185.13167	4.2
207.13867	3.7
217.07518	4.0
217.19409	4.4
222.77365	2.7
227.17953	4.1
235.20522	3.7
245.19113	5.1
263.20081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02346	0.9
53.03944	2.9
55.01862	3.2
55.05515	21.8
56.96553	3.2
57.03416	1.5
57.07069	2.9
65.03940	1.8
67.05505	43.3
69.03416	5.1
69.07071	15.5
71.04983	3.9
72.05824	1.0
79.05495	37.3
81.03407	4.1
81.07060	31.4
83.04971	3.3
83.08621	8.6
85.06545	2.2
89.81067	1.1
91.04956	1.9
91.05481	21.0
93.07047	53.9
93.12617	1.1
95.04970	9.0
95.08612	32.7
97.02893	4.5
97.06510	5.3
97.10159	8.1
98.21500	3.0
99.08089	1.5
104.99257	2.6
105.07030	13.7
107.08593	31.8
109.02888	1.3
109.06506	4.3
109.09454	1.8
109.10153	24.2
111.04462	1.0
111.08067	2.9
117.06999	4.7
119.08576	15.5
121.06531	1.1
121.09301	2.1
121.10145	27.7
123.08060	4.7
123.11706	3.6
125.09625	3.7
129.07047	3.0
131.08531	4.4
133.06470	1.6
133.10138	13.3
135.08084	1.6
135.11699	19.7
137.09593	8.0
143.08530	3.3
145.10126	4.3
147.11719	8.6
149.09610	2.3
149.13255	5.8
151.11200	2.2
157.10152	3.3
159.11679	3.8
161.09615	1.3
161.13263	4.6
163.11131	1.3
165.09160	1.3
167.10562	1.2
170.96407	1.1
171.11661	3.2
173.11736	5.1
173.13055	1.3
175.14803	1.7
177.12805	1.5
178.41997	1.1
181.12273	1.8
185.13310	2.6
187.14720	1.5
189.12755	1.5
193.12202	1.8
195.13820	6.5
199.06465	2.4
203.14336	1.4
203.17851	1.7
207.13826	1.8
217.07486	4.7
217.19568	2.8
221.15381	1.5
227.17932	5.1
242.07239	1.1
245.19048	10.3
263.20071	100.0
281.12402	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2008
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.66787	1.4
53.03955	2.6
55.01865	3.3
55.05515	17.7
55.35442	1.8
56.96553	2.2
57.07071	3.5
67.05511	29.3
69.03426	2.0
69.07075	13.8
70.79495	4.9
71.04977	2.9
79.05059	2.6
79.05497	39.2
81.07063	26.6
83.04977	4.3
83.08613	6.2
91.05483	16.7
93.07053	55.3
95.04958	6.5
95.08610	25.6
97.02887	2.7
97.06536	3.3
97.10146	3.9
104.99288	8.8
105.07040	16.8
107.04962	2.1
107.08602	31.5
109.06524	5.5
109.10168	14.5
111.04434	2.7
111.08081	6.3
117.07000	2.9
119.08587	11.1
121.10151	37.6
123.07990	2.0
123.11667	3.4
125.09650	1.6
126.91296	1.7
129.06999	3.2
131.08505	3.9
133.10132	11.1
135.07997	2.1
135.11710	17.0
137.09669	3.8
139.07553	5.8
143.08600	2.8
145.10094	3.4
147.08026	3.6
147.11703	8.5
149.09727	1.7
149.13266	8.7
150.97287	1.9
151.11197	4.9
153.09151	1.9
157.10123	2.9
161.09622	3.6
161.13287	6.0
163.11235	2.8
171.11658	2.7
175.11227	1.6
178.62117	1.5
185.13400	1.7
189.12755	2.4
195.13715	1.5
199.06354	2.6
203.14421	2.0
207.13774	5.1
217.07457	5.1
217.19531	3.4
218.70348	1.7
227.18021	2.7
235.20609	2.1
245.19034	6.7
263.06900	1.6
263.20093	100.0
263.22925	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	263.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21174	1.1
56.96560	3.4
67.05504	1.7
69.03415	2.0
69.07058	1.5
70.06590	2.7
71.57609	2.1
71.57990	1.3
74.97590	1.7
79.05499	1.8
81.03377	1.3
81.07034	1.9
84.04497	16.4
84.08115	1.3
85.02425	1.9
85.02906	25.0
86.06077	1.3
86.09738	1.5
91.05439	1.3
91.15252	1.0
95.01326	2.8
95.04964	1.8
95.08615	1.5
97.02910	1.5
97.56396	1.3
101.00876	2.5
101.07150	1.3
102.05538	12.2
107.08588	1.8
112.03976	1.7
115.05325	1.7
116.07028	1.3
116.98622	1.2
117.07047	2.0
118.06552	3.7
119.01923	12.7
119.07313	2.7
119.08552	1.5
130.05006	100.0
131.61371	1.3
132.04434	2.6
133.10190	1.4
134.09657	98.2
137.02933	2.6
143.01888	14.3
147.07899	1.2
156.68817	1.2
161.02956	44.9
161.05998	1.5
162.03058	1.2
169.00142	1.3
175.11993	1.5
179.04102	2.0
184.04567	3.6
184.06160	1.2
189.12767	1.3
203.04024	17.9
203.07024	2.8
221.05089	2.1
240.48416	1.2
245.12819	5.9
245.15065	1.3
246.11284	3.5
263.06018	3.7
263.09555	2.7
263.14087	22.1
263.16693	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03928	2.7
55.01865	1.6
55.05516	16.1
57.03452	4.7
57.07066	1.4
67.05173	1.6
67.05506	24.0
69.03453	0.9
69.06720	1.0
69.07071	14.3
69.58438	0.7
69.62956	6.2
71.04984	2.9
71.08643	0.9
73.06543	1.1
77.02228	0.8
79.05496	59.6
81.07059	29.3
83.04969	1.4
83.08625	8.3
85.06535	3.4
90.22967	0.9
91.05486	23.7
93.07047	76.5
95.04968	7.1
95.08611	25.1
97.06525	4.3
97.10165	2.6
99.08089	2.0
105.07039	18.8
107.04921	1.5
107.08598	60.0
109.06515	7.9
109.10172	11.2
111.08079	1.8
113.06026	0.9
113.09673	1.2
117.07018	3.5
119.08579	15.3
121.06503	1.0
121.10147	55.9
123.08064	3.4
123.11714	2.6
125.09615	2.1
127.07549	1.0
128.06169	1.1
129.07007	2.3
131.08559	5.0
133.10146	14.1
135.08018	2.1
135.11699	30.2
137.09602	1.7
139.07547	0.9
143.08580	2.9
145.10124	5.8
147.08043	2.2
147.11694	9.0
149.09633	2.2
149.13260	10.6
151.11174	1.9
156.09331	1.0
157.10124	3.2
159.11670	4.0
161.09607	3.4
161.13269	3.9
163.11165	2.5
163.14809	1.9
167.10757	1.1
171.11708	3.2
173.13307	4.4
175.07574	0.9
175.11081	1.5
175.14818	1.4
177.12732	1.1
178.33359	1.0
180.31445	0.8
181.12242	2.6
185.13225	2.9
189.09135	1.4
189.12781	1.6
191.14389	4.8
193.12234	1.3
199.14854	2.4
203.14253	2.3
203.17900	0.9
207.11914	1.2
207.13835	2.1
215.22023	2.1
217.07471	1.5
217.16013	1.5
217.19365	1.2
221.15338	1.5
227.17984	2.9
245.11952	1.3
245.15201	1.0
245.18990	7.8
263.09116	1.7
263.16544	11.4
263.20071	100.0
263.24008	6.1
276.85846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50810	7.8
56.96554	19.9
57.03418	11.3
61.02922	24.8
69.03426	27.1
70.06610	47.3
70.87034	10.4
70.87392	23.3
71.04998	12.2
72.08151	16.0
73.02923	17.0
77.09909	8.2
81.03391	18.3
84.04501	21.3
84.08150	100.0
85.02923	49.3
85.06541	16.0
97.02892	24.3
98.06049	9.4
98.09689	30.8
98.97581	33.9
99.04458	15.4
100.03986	37.0
101.00884	14.1
101.06054	11.3
109.02905	11.7
112.08705	9.4
116.07056	16.3
116.10760	32.2
116.64869	8.5
116.98635	10.3
117.48476	8.5
117.65712	9.9
119.01951	34.9
127.03900	14.2
130.05013	12.0
130.08609	27.1
131.00174	9.5
131.96176	16.1
133.03484	31.7
143.01945	16.9
145.04893	12.5
147.04971	11.0
161.01186	13.0
161.02968	51.8
165.00723	10.0
173.02986	28.1
175.11929	28.8
176.03395	13.2
185.03760	10.3
191.04007	20.0
201.15990	79.8
203.04025	29.0
217.05670	10.7
221.05090	11.6
227.17705	11.8
231.03607	13.8
236.79715	9.6
237.02885	13.7
245.12407	30.2
245.18590	29.2
263.01563	29.3
263.06326	45.8
263.09772	10.4
263.12549	35.9
263.16101	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74323	4.9
56.26170	4.3
59.24259	4.8
60.05634	6.5
69.86782	26.2
70.06603	35.0
70.14461	4.7
71.04972	6.3
75.35880	4.2
84.04500	8.5
84.07684	8.4
84.08149	93.7
84.96030	5.1
85.02937	4.7
101.00931	6.8
116.07138	10.3
119.01939	30.1
129.10262	28.0
130.04958	8.0
130.08627	15.3
130.09700	7.4
137.02937	5.6
143.01894	25.6
144.42444	4.5
145.03397	5.7
147.11353	9.0
155.01918	6.6
158.09230	4.8
161.02972	100.0
173.02950	9.3
175.11961	25.2
191.03987	5.6
203.04039	29.6
221.05029	6.4
227.10165	4.8
244.88402	4.8
245.12369	19.8
263.01764	43.1
263.06003	15.7
263.12268	46.0
283.25064	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	262.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05499	2.4
56.05038	4.3
56.96556	1.3
57.03437	1.1
57.07066	0.6
58.06601	1.1
65.00034	0.6
67.05507	5.8
68.05023	1.2
69.03416	1.3
69.07048	2.2
69.73741	1.7
69.74174	2.2
70.02934	1.8
70.06595	10.2
71.04980	2.4
79.05495	5.7
81.03392	1.4
81.07061	10.1
82.06567	2.5
83.04967	2.7
83.08611	0.9
84.04489	2.7
84.08144	0.9
85.02895	2.2
85.06561	0.6
88.03992	15.8
91.05463	2.2
93.07043	7.7
94.06586	0.8
95.04955	0.7
95.08614	5.8
96.04491	0.7
96.08125	1.5
97.06545	1.3
98.21473	1.2
98.97597	3.2
105.07041	2.1
107.04937	2.7
107.08580	2.8
109.06548	0.7
109.10159	1.1
110.06004	0.6
110.07129	0.7
111.04432	1.3
116.07102	3.7
116.98650	1.2
117.07003	0.9
119.08559	1.4
120.08112	5.7
121.02892	2.9
121.08423	1.1
121.10152	8.3
123.08077	0.8
123.11575	0.7
125.05990	0.9
128.98590	0.6
130.04865	0.8
131.08543	2.8
133.10104	0.7
135.11676	1.8
137.02350	0.8
138.12769	10.1
141.40843	0.8
145.10092	3.3
148.11200	2.4
149.09636	3.7
152.14415	0.9
157.10640	0.6
158.99611	0.7
161.01236	0.6
161.03004	0.9
163.11205	3.2
166.12282	16.5
167.10677	0.9
173.09618	1.4
180.13817	1.6
181.12187	0.8
182.15413	11.9
184.13338	100.0
185.13570	0.9
191.10710	2.7
198.14882	0.7
200.16531	0.9
202.14413	7.4
203.10555	0.8
208.13289	6.0
208.14818	0.6
209.11794	1.6
226.14375	20.8
227.12834	1.4
244.15442	9.2
262.10788	2.8
262.16525	65.2
263.05539	0.8
263.13913	1.0
263.16727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.4
55.05509	2.3
56.96563	5.9
60.04514	2.8
61.02932	1.3
66.44244	1.2
69.03430	2.7
69.07058	2.2
70.06593	96.2
71.04995	41.2
71.57639	1.4
72.01174	1.1
73.02917	2.9
73.06573	1.6
81.03397	2.1
83.01335	1.3
84.04482	2.4
84.08135	4.1
85.02902	5.7
85.13151	1.3
87.00814	4.5
88.07088	1.9
88.07632	34.3
91.81564	1.2
97.02900	3.5
98.06055	22.5
98.97585	5.7
99.04433	4.1
100.03967	4.9
109.02846	1.5
112.07574	3.6
116.07094	61.3
116.98619	3.5
117.05485	6.7
119.01912	5.5
121.44196	1.5
122.06033	1.8
124.07658	1.7
128.98634	1.5
130.08640	100.0
131.00145	1.8
131.28618	1.2
132.04466	2.9
132.25583	1.3
133.04965	4.7
134.08125	12.3
134.99648	2.8
137.02309	2.2
140.07068	3.2
143.01923	3.6
155.04707	2.5
158.08142	24.3
158.99632	2.9
161.02959	13.2
173.00763	2.0
176.09184	60.7
177.00726	3.5
177.14627	1.3
184.06032	17.5
201.12346	1.7
202.07112	30.0
203.03990	5.1
220.08197	7.8
226.14420	2.0
244.08327	6.2
262.06567	3.0
262.09192	10.5
262.11917	2.6
262.14517	5.4
263.05920	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	1.9
55.05513	9.3
57.03436	0.8
57.07082	3.0
65.03935	1.1
67.05506	29.8
68.24509	0.5
69.07067	9.2
69.52599	0.4
70.05127	2.2
71.04993	2.2
71.08623	1.1
77.03912	0.7
79.05495	41.6
81.07060	33.3
83.04972	1.6
83.08617	4.2
85.06567	2.6
91.05486	19.7
93.07049	57.5
95.04980	4.3
95.08610	23.7
97.06526	3.8
97.10178	2.3
99.08073	2.7
105.04520	0.6
105.07035	13.9
107.08599	36.5
109.06516	2.4
109.10175	10.7
111.08070	1.4
113.09632	1.2
117.07018	5.0
119.07780	1.0
119.08583	11.1
121.06487	0.6
121.10147	32.3
123.08081	1.0
123.11705	4.2
125.09560	0.5
131.08572	10.6
133.10130	9.3
135.08067	0.5
135.11702	27.3
137.09570	1.4
137.13245	1.4
145.10132	10.2
147.11693	8.2
149.09627	0.8
149.13263	19.2
151.11241	1.3
151.14813	0.7
159.11707	8.1
161.13266	10.0
163.11143	0.6
163.14838	14.6
165.12764	1.0
173.13264	8.3
175.14873	3.1
177.16391	4.2
179.14346	1.3
187.14854	5.4
189.16341	1.2
191.14363	0.6
201.16423	2.5
203.17958	0.5
205.14087	0.7
205.15993	0.6
215.17973	1.1
219.17407	0.8
221.06186	0.5
233.22630	1.5
243.21100	25.2
261.22156	100.0
262.22415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01873	1.0
55.05512	9.2
57.03437	0.7
57.07079	3.1
59.13562	0.5
65.03941	1.2
67.05505	32.4
69.07069	8.8
69.88530	2.1
71.04986	2.2
71.08639	1.5
74.63322	0.4
79.05494	41.9
81.03407	0.4
81.07057	37.7
83.04975	1.4
83.08617	6.0
85.06538	2.3
85.10225	0.4
91.05481	22.6
93.07047	56.5
95.04967	4.9
95.08610	27.7
97.06539	2.8
97.10174	2.9
99.08112	3.5
103.05465	0.4
105.04525	0.8
105.07031	14.2
107.04948	0.6
107.08595	36.5
109.06515	1.5
109.10159	12.0
111.08086	2.8
113.09655	0.8
117.07007	5.5
119.08582	11.9
121.06510	0.4
121.10147	34.0
123.08084	1.8
123.11697	3.7
125.09618	0.8
129.06940	0.5
129.72189	0.4
131.08562	12.0
131.09508	0.7
133.10138	10.8
133.11086	0.8
135.08073	0.5
135.11697	29.7
137.09641	1.7
137.13240	1.4
145.10118	11.7
147.11685	9.0
149.09564	0.5
149.13258	21.9
151.11194	0.8
151.14813	0.6
153.12741	0.5
156.59319	0.4
159.11697	9.4
161.13254	8.2
163.14828	15.3
165.12741	1.3
173.13281	8.3
175.14836	3.2
177.12749	0.8
177.16374	5.2
179.14326	1.6
182.90399	0.4
187.14841	4.8
189.16306	0.5
201.16441	2.9
203.17963	0.7
205.15907	0.7
215.17978	1.4
217.19530	0.6
219.17513	0.8
233.22670	1.3
243.21095	26.6
261.22150	100.0
262.22546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	5-(1-oxopropan-2-yl)isolongifol-5-ene
Peak:m/z	Relative Intensity
54.12968	1.6
55.05514	9.7
56.35158	2.6
57.07066	4.0
58.66887	1.7
60.29789	2.3
60.93973	1.6
67.05177	1.9
67.05511	27.0
68.08554	1.7
68.46672	2.0
69.07090	11.8
69.07435	2.8
69.31386	1.9
70.61240	7.0
71.04977	4.4
71.08617	1.8
72.93087	1.9
79.05064	2.5
79.05495	35.9
81.07063	31.4
83.08600	5.8
85.50920	1.9
91.05484	16.0
93.07050	48.2
95.04967	4.2
95.08609	30.1
97.06542	4.5
97.10160	4.2
99.08091	4.1
105.04456	1.9
105.07036	19.0
106.32475	1.8
107.07960	3.1
107.08604	38.7
109.10170	11.8
113.09653	2.1
117.07004	3.8
119.08578	14.9
121.06521	2.3
121.10149	29.7
123.08052	2.6
123.11685	3.7
131.08580	12.2
133.10147	10.7
135.08052	5.0
135.11702	20.1
136.71124	1.8
137.09540	1.9
145.10129	9.9
147.11702	10.6
148.22742	1.7
149.09612	2.1
149.13278	15.8
159.11708	8.8
161.13269	7.5
163.14853	14.9
173.13272	11.1
175.14851	2.7
177.16385	2.6
179.14305	5.3
187.14835	8.3
203.17998	8.4
205.15886	2.7
215.17961	4.2
217.19528	2.0
231.22725	2.1
235.98892	2.0
243.21071	26.3
261.03949	2.2
261.13025	6.6
261.18707	6.6
261.22144	100.0
276.96555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	1.3
55.01879	0.5
55.05515	8.2
57.03430	1.2
57.07070	2.7
65.03954	0.9
67.05506	25.6
69.07072	9.0
69.71025	3.6
71.04974	1.5
71.08624	1.3
79.05494	35.4
81.07059	30.4
83.08639	4.3
84.62840	0.5
85.06535	2.6
91.05484	17.9
93.07045	48.8
95.04430	0.5
95.04952	2.9
95.08609	23.6
97.06528	2.4
97.10172	1.2
99.08092	3.0
105.06377	1.0
105.07034	12.7
107.08597	34.3
109.06495	2.0
109.10159	11.3
111.08077	2.0
113.09669	0.9
117.07038	3.2
119.08585	11.6
121.10148	31.8
123.08098	1.5
123.11701	3.8
125.09605	1.2
131.08577	10.5
133.10143	9.4
135.08054	0.7
135.11699	24.8
137.09575	0.9
137.13243	1.0
145.10127	10.7
145.93550	0.5
147.11688	9.1
149.13268	19.8
151.11201	1.1
153.12775	0.6
159.11702	8.8
161.13260	7.4
163.11176	0.9
163.13438	0.6
163.14816	12.2
165.12752	0.8
173.13261	8.7
175.14789	3.0
175.67299	0.5
177.16356	4.2
179.14349	1.2
187.14845	5.7
201.16376	2.3
203.17952	1.1
205.15852	0.8
215.17918	1.1
233.22617	1.4
243.21083	27.4
261.22150	100.0
262.14453	1.0
262.22583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23203	0.7
53.03944	2.0
55.05511	9.2
57.07074	4.3
67.05508	33.7
69.07072	9.5
69.64308	5.6
71.04984	2.0
71.08624	0.8
71.92269	0.6
76.35537	0.8
79.05496	44.6
81.07059	40.5
83.04956	1.0
83.08613	6.1
85.06540	2.9
90.52115	0.7
91.05484	19.8
93.07048	58.6
95.04954	4.6
95.08614	27.4
97.06516	1.8
97.10170	2.2
98.21429	1.4
99.08099	2.6
105.07027	15.3
106.69164	0.7
107.08599	37.0
109.06540	1.4
109.10146	9.7
111.08082	2.1
111.11702	0.8
113.09652	0.8
117.07020	5.8
119.08580	10.9
121.10146	34.1
123.08076	1.7
123.11716	4.5
125.09629	1.3
131.08578	11.9
133.10136	11.4
135.11697	25.6
136.36859	0.9
137.09598	2.0
145.10138	12.4
147.11682	8.5
148.84534	0.7
149.13264	20.8
151.11174	1.1
159.11714	9.4
161.13268	8.9
163.14821	15.0
165.12717	1.3
171.11638	0.8
173.13257	10.3
175.14825	3.9
177.16386	5.1
178.84079	0.7
179.14305	0.9
187.14798	4.7
201.16449	1.9
203.17953	1.3
215.17940	2.5
219.17398	0.9
222.82190	0.8
233.22672	1.3
243.21094	29.1
261.22159	100.0
262.14401	1.6
262.22452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02382	0.4
52.32725	0.3
53.03944	1.3
55.01870	0.7
55.05510	9.7
57.03426	1.3
57.05002	0.3
57.07075	2.8
64.27713	0.3
65.03932	1.3
66.44235	0.3
67.05503	32.1
69.07069	10.0
69.07337	0.2
71.04996	1.7
71.08630	1.4
77.03926	0.7
79.05492	42.2
81.07056	38.4
81.07433	0.6
83.04990	0.7
83.08614	5.5
85.06549	3.1
91.05478	22.0
93.07044	57.7
93.37852	0.3
95.04965	3.7
95.08607	26.9
97.06525	2.8
97.10190	2.0
99.08087	3.1
105.04552	0.8
105.07031	14.1
107.08595	36.8
109.06504	1.8
109.10158	9.7
111.08064	2.2
111.11727	0.5
113.09648	1.4
115.05486	0.4
117.07013	4.9
119.08580	12.9
121.10144	34.4
123.08055	1.3
123.11707	3.9
125.09644	0.7
129.06998	0.4
131.08572	11.9
133.10130	10.6
135.11693	27.4
137.09604	1.3
137.13260	1.2
143.08595	0.5
145.10121	12.2
147.11690	9.6
149.09624	0.7
149.13257	23.6
151.11179	1.1
151.14778	0.6
153.12758	0.7
157.10085	0.3
159.11705	7.1
161.13263	10.0
163.14824	17.0
163.95390	0.3
165.12762	1.1
173.13258	8.3
175.14810	3.8
177.12659	0.4
177.16379	4.6
179.14288	1.4
187.14844	5.7
189.16377	0.6
191.14351	0.6
201.16373	2.3
203.17917	0.4
205.15895	0.3
215.18034	1.7
217.19316	0.6
219.17409	0.5
233.22655	1.2
243.18491	0.6
243.21088	26.4
261.22137	100.0
262.22559	1.8
265.92831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
53.93604	0.5
55.01870	1.2
55.05511	9.0
56.96566	5.9
57.03440	1.0
59.04979	0.7
60.05656	4.2
60.08149	0.7
61.02925	1.2
68.05035	1.5
69.03406	2.0
70.02972	0.5
70.06596	43.6
70.43947	2.1
71.04996	12.5
72.08158	9.0
72.63569	0.5
73.02902	0.7
73.06521	2.2
75.78190	0.5
78.37500	0.5
79.05492	0.5
81.03384	0.9
82.06588	0.8
83.04970	0.8
84.04491	1.8
84.08141	6.4
84.96009	1.1
85.02892	2.4
86.03587	0.5
86.06051	0.7
86.09719	3.1
88.03982	2.3
90.72982	0.5
95.04945	0.5
95.06087	2.4
96.04502	6.3
97.02881	1.1
97.06502	0.6
97.07663	2.5
98.06059	24.5
98.20869	0.7
98.97578	7.6
99.04450	2.8
100.03956	3.4
104.03468	15.9
109.02898	0.7
110.97563	1.3
112.08734	12.2
113.07117	3.6
114.05531	6.3
115.02320	0.8
115.08703	3.4
116.03458	19.2
116.07070	0.9
116.98631	5.0
119.01985	2.6
122.06054	0.7
128.07040	1.9
128.98621	3.9
129.11320	1.1
130.04997	3.8
130.08742	1.0
130.09752	3.4
131.01878	1.3
133.03459	1.3
134.04492	0.9
134.99612	1.6
138.06544	0.8
140.08199	1.7
140.98587	1.1
141.06572	3.6
142.05020	1.1
143.00162	1.6
145.01576	0.7
146.99635	2.1
147.07564	0.6
149.01173	0.6
154.08560	0.5
155.01917	1.0
155.08163	0.6
156.06577	13.1
157.09697	4.2
157.10846	9.5
158.08130	30.3
158.99672	1.0
159.05051	0.8
161.01286	1.3
161.02930	1.3
165.00697	1.2
166.15036	0.5
169.00914	0.8
170.99693	1.3
173.02892	0.7
175.10764	1.6
175.12143	0.7
177.00693	2.3
184.07176	1.3
189.00748	1.8
191.02299	0.7
191.04030	0.9
200.10284	1.6
201.00687	1.6
201.03793	0.8
201.08524	3.1
201.09863	5.6
202.07118	20.1
217.13071	3.0
219.01752	4.4
219.03481	0.7
219.09743	2.1
221.04985	1.6
229.03209	9.5
237.02855	7.6
243.04820	0.9
243.13303	1.0
244.09096	4.8
255.03783	0.8
261.02930	2.5
261.05817	38.9
261.09387	13.0
261.11938	100.0
262.06152	1.0
279.03778	2.6
279.09210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.7
55.01864	0.9
55.05512	5.8
56.96560	2.5
60.05661	4.0
61.02909	1.0
69.03416	1.9
70.06593	31.9
70.20663	2.8
71.04993	11.1
72.08166	5.8
73.06567	2.0
81.03415	0.7
82.06609	0.7
83.04990	0.7
84.04529	0.7
84.08127	2.1
85.02901	1.3
86.09685	1.4
88.03975	2.1
88.31969	0.6
91.08937	0.7
95.06092	1.9
96.04501	5.0
97.02861	1.1
97.07661	2.1
98.06055	19.7
98.97589	2.5
99.04440	3.2
99.38944	0.8
99.65660	0.7
100.03967	2.2
101.00874	1.1
104.03471	11.7
109.02928	0.7
110.97541	0.8
112.08743	9.8
113.07127	2.9
114.05537	4.9
114.10270	1.1
115.08686	2.5
116.02664	1.2
116.03456	16.4
116.07113	0.8
116.98627	1.7
119.01923	1.6
127.03926	1.2
128.07097	1.6
128.98663	0.9
129.11392	1.0
130.04976	4.4
130.09767	1.6
131.01826	1.1
133.03462	0.9
140.08194	1.4
141.06583	2.9
146.99577	0.7
147.07635	0.8
154.08679	0.9
155.01897	1.0
156.06572	11.7
157.09709	3.6
157.10860	7.2
158.08134	25.3
169.01064	0.9
173.02910	1.2
173.06711	0.8
175.10704	1.1
175.12025	1.0
200.10347	1.4
201.03629	1.0
201.08591	3.5
201.09912	4.1
202.07104	17.8
217.12979	4.0
219.01843	1.6
219.09709	1.4
221.05083	1.7
229.03210	14.1
235.94046	0.7
237.02870	2.1
243.04825	2.6
244.09187	5.2
251.55792	0.7
261.05829	49.5
261.09399	27.0
261.11969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.5
56.96566	0.8
68.36446	0.7
70.06241	1.3
70.06593	13.5
70.78574	0.6
70.94872	1.5
70.95240	1.0
71.04987	4.3
72.08141	1.8
84.08134	2.6
85.02900	1.0
86.09702	1.2
96.04495	1.4
98.06064	5.9
99.04456	0.7
100.03979	1.0
104.03475	2.9
112.08720	3.1
113.07149	0.8
114.05519	1.3
115.08706	1.3
116.03448	4.4
116.07106	1.2
130.04974	1.3
130.08714	1.0
130.09781	1.0
148.06090	0.9
156.06549	3.1
157.09732	1.8
157.10904	1.9
158.08147	7.4
169.01048	1.5
171.02667	1.0
201.03673	2.1
201.10017	1.5
202.07094	5.1
217.13036	2.0
229.03204	28.7
230.22969	0.8
243.04779	6.2
244.09148	1.3
261.05841	100.0
261.09363	12.5
261.11829	31.2
261.14786	2.8
262.06155	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	260.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96995	2.6
55.05509	10.3
56.96560	4.2
57.03429	3.8
59.05008	8.7
67.05500	20.6
68.68813	3.0
69.07059	11.6
70.06583	4.7
71.05002	16.1
71.31910	8.1
79.05483	14.5
81.03408	13.2
81.07063	18.6
82.07424	3.3
83.04986	5.5
83.08620	7.2
85.02893	3.8
85.06527	4.6
91.05492	21.0
93.07037	11.4
95.04960	10.5
95.08607	12.6
97.06509	6.2
98.97601	7.1
104.84426	3.1
105.07021	14.0
107.08598	19.6
109.10130	7.2
110.31813	3.2
111.08084	3.6
116.98626	4.5
119.08574	11.4
121.10133	10.3
123.11718	4.9
129.07021	4.5
131.08565	12.3
133.10152	17.0
134.99669	5.8
147.11665	9.4
149.01228	4.3
149.09633	11.4
157.10139	9.3
164.04185	3.7
175.11208	10.1
177.00793	3.9
183.57265	3.2
190.95294	6.2
192.27686	3.1
193.12242	26.9
194.72130	3.6
199.13351	4.1
201.05482	3.9
204.13870	5.5
211.13315	100.0
213.97026	3.7
225.14870	7.7
238.09741	15.9
238.59845	6.9
258.60938	4.0
260.20316	5.3
260.24536	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	261.0307
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
51.50548	0.1
55.05510	0.3
56.15289	0.1
56.96555	0.8
71.57466	0.1
83.04976	0.3
96.19789	0.1
98.97583	2.2
101.00853	0.8
107.08611	0.2
116.98621	2.6
119.01923	7.3
119.08614	0.2
120.01993	0.4
121.10133	0.2
122.06324	0.2
122.97843	0.2
128.98569	0.2
133.03354	0.2
133.10074	0.2
134.99677	2.1
137.02962	2.5
138.98961	0.2
140.98790	0.3
146.99692	0.2
153.00778	0.7
158.99805	0.8
161.02972	0.2
165.99666	0.3
175.03073	0.2
177.00951	13.6
178.01103	0.4
179.00731	0.3
182.99779	0.4
189.00746	0.2
193.04047	0.3
195.01933	0.4
200.02524	0.4
201.00912	0.7
203.17885	0.2
217.04085	2.4
218.03642	0.3
219.02010	20.2
220.02139	0.9
221.01830	1.1
222.01801	0.2
225.00829	2.1
237.02861	0.3
237.98720	0.5
238.98354	0.2
242.03607	0.5
243.01968	6.7
243.21140	0.3
244.02130	0.3
260.04666	0.2
261.03055	100.0
262.03198	4.3
263.03458	0.4
266.03586	0.5
275.04565	0.2
279.00574	2.0
279.03485	0.2
284.04645	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	260.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60954	1.4
53.03956	1.3
56.96560	4.9
60.05654	2.2
64.38206	1.8
67.05481	1.6
69.95181	1.3
70.06596	11.4
70.24768	5.6
71.04993	3.8
72.08157	3.1
73.04048	7.8
74.02435	2.8
84.08157	2.3
85.02899	8.4
91.05471	2.1
93.07058	2.6
95.04999	2.4
97.02889	3.0
98.20695	1.6
98.97598	5.1
99.05576	19.9
100.07580	1.8
106.06571	3.9
111.05625	2.0
112.08708	2.7
115.05045	24.3
116.07147	2.8
116.98593	2.7
118.06550	3.0
120.08112	3.5
121.06562	3.2
127.05059	12.6
128.05042	1.8
128.07126	2.1
130.06534	91.3
131.04968	1.5
132.04474	11.6
134.06013	21.8
134.58525	1.4
134.99611	1.8
138.09108	1.7
139.05031	3.5
139.09486	2.6
141.81871	1.4
142.02223	1.5
142.06467	2.4
145.07582	3.4
146.06012	44.6
157.07623	36.4
157.08876	2.6
158.06007	21.1
158.99651	2.0
163.04053	1.8
169.07639	4.1
170.05994	16.0
175.08713	6.8
175.11940	5.8
177.00719	3.0
185.07124	4.7
187.08763	2.7
188.07063	14.2
193.06757	1.5
201.09836	1.9
204.13924	2.5
207.08080	2.4
214.09741	9.4
216.10207	4.0
221.06012	3.1
223.07552	1.7
228.10088	6.0
228.60202	1.8
232.06923	1.7
235.07529	4.0
236.61278	3.7
237.02829	2.3
239.06976	2.0
242.09251	100.0
243.81100	1.5
259.61505	2.4
260.06647	7.5
260.10330	37.7
261.04089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09728	1.6
55.01871	16.9
55.05507	10.0
56.96555	1.3
57.03436	1.4
57.07071	1.5
59.04988	1.6
67.05505	30.7
67.77469	1.4
69.07069	8.5
71.04987	5.0
71.60027	2.3
73.02926	1.6
79.05488	17.0
80.59845	1.3
81.07056	25.0
83.04985	45.1
83.08621	7.5
85.02902	5.6
85.06548	4.1
87.04449	1.6
91.05474	9.4
93.07048	29.2
95.04940	4.6
95.08591	9.7
97.06520	10.8
97.10179	3.4
98.97601	2.0
99.04446	5.9
99.08081	3.2
105.07024	7.8
107.04947	5.4
107.08595	14.9
109.02879	1.8
109.06519	3.8
109.10155	18.2
111.04446	100.0
111.07366	1.9
111.08083	27.6
115.03941	16.5
117.07022	4.7
118.78525	1.5
119.08595	15.7
121.06538	3.7
121.10143	20.4
125.05999	5.5
125.09615	1.5
129.05507	2.1
129.06998	4.1
131.08609	8.9
133.10129	6.3
135.08038	2.0
135.11713	21.9
139.11163	1.9
143.08559	1.9
145.10120	21.7
147.08040	2.6
147.11693	6.9
149.09651	8.0
153.12758	27.0
155.08560	2.7
157.10144	1.6
161.02417	1.2
161.09842	1.5
163.03812	1.9
163.11192	58.0
171.11777	2.5
173.08354	1.9
173.09613	12.2
173.90987	1.4
181.12236	71.5
191.10677	90.6
201.16502	2.0
209.11746	41.7
212.92563	1.4
213.96907	1.6
227.12788	88.2
241.14249	6.9
241.19449	1.8
245.13976	2.3
259.05960	4.2
259.16931	3.9
259.20499	5.5
259.24182	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	259.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.3
57.07071	7.2
58.25132	2.4
67.05505	8.5
69.07075	24.1
71.05008	17.9
71.59332	4.3
77.29547	2.5
79.05503	8.2
81.07076	13.3
83.08617	8.0
85.06524	14.7
91.05473	11.8
93.07045	11.0
95.05006	5.4
95.08604	15.6
97.06537	4.6
97.10165	6.1
105.03383	12.5
105.07039	32.5
106.76519	3.0
107.04966	3.0
107.08576	19.2
109.06541	7.4
109.10157	9.9
111.08092	13.2
111.11778	2.9
117.07041	9.9
119.08590	40.0
121.10149	9.8
123.11713	21.1
129.07016	13.1
130.08661	3.2
131.08575	14.3
133.06519	3.3
133.10147	23.9
135.08073	12.1
135.11661	3.1
137.09602	3.3
138.12555	2.4
143.08565	9.8
145.10132	28.6
147.11711	16.1
157.10121	9.3
159.11708	20.2
160.08856	2.8
161.09615	3.4
161.13280	33.4
163.11201	3.4
171.11739	16.9
173.13272	5.5
175.11214	28.1
175.14835	58.6
176.15550	3.6
177.12781	3.6
177.16379	5.7
185.13297	9.1
189.12825	6.2
189.16382	5.4
199.14857	4.0
201.16368	19.8
203.14372	7.5
210.92618	3.0
215.17938	6.8
224.46570	3.5
241.19608	20.1
259.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
54.36993	2.8
55.05513	14.5
57.07063	3.6
58.74088	2.6
67.05498	13.5
69.07073	44.9
69.29700	3.5
69.30005	37.6
71.04994	40.2
78.16939	2.9
79.05495	6.8
81.07063	21.8
83.04958	5.4
83.08616	9.1
85.06549	19.3
90.91453	2.8
91.05480	14.0
93.07048	19.7
95.08615	24.5
97.06561	3.6
97.10161	4.6
98.20760	5.9
101.86349	3.6
105.03389	3.2
105.07032	30.0
107.08587	23.4
109.06526	14.1
109.10153	17.6
111.08080	20.7
117.07030	9.1
119.08587	73.5
121.06451	4.1
121.10146	11.7
123.11693	28.1
128.06274	3.5
131.08571	15.0
133.10130	43.3
135.08034	24.2
135.11717	7.3
143.08589	7.9
145.10098	34.1
147.11717	25.0
149.09616	4.9
156.09293	4.4
157.10143	9.2
159.11714	31.5
160.12479	5.7
161.13263	40.7
163.11172	4.8
171.11682	15.4
173.13348	11.0
175.14819	100.0
175.16254	6.3
176.15535	6.7
177.12848	4.9
177.16408	5.3
185.13272	18.2
189.12793	8.4
189.16470	5.3
190.13503	4.1
199.14819	7.7
201.16409	29.0
203.14349	12.6
215.17984	7.4
241.19505	19.8
259.20578	98.2
261.52069	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	258.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
55.05504	0.7
56.05025	2.2
56.96549	2.1
57.03436	6.3
57.07089	1.2
59.04983	0.8
60.05646	0.8
60.08156	2.9
60.35400	0.6
61.02921	3.4
63.28929	0.7
67.05495	2.3
67.29884	0.6
68.05017	1.2
69.03429	7.9
70.06593	8.4
71.04984	2.6
71.59622	1.1
72.08144	1.9
72.93772	0.6
73.02920	4.6
81.03426	2.9
81.04555	0.7
82.05320	2.1
83.04984	0.9
83.06111	8.2
84.04041	1.2
84.04510	17.9
84.08143	2.9
85.02911	17.0
85.06542	6.6
86.06058	0.8
86.09698	6.4
91.03964	0.6
93.04515	4.2
94.06567	0.8
95.05016	0.7
95.06091	17.6
96.02397	0.7
97.02284	0.9
97.02894	15.8
98.97575	2.2
98.98474	1.2
99.04456	1.9
100.02205	0.9
101.00838	1.3
101.02315	0.7
103.03922	1.9
104.10748	36.5
109.02879	2.0
109.07640	4.7
110.07167	56.4
111.02971	0.8
111.05569	3.2
112.08755	3.1
114.05515	1.0
115.02441	1.7
115.03943	0.6
116.07091	0.8
116.98600	2.0
118.01124	1.0
119.01917	7.6
121.01668	0.7
124.03901	1.0
125.00005	7.7
126.03507	0.7
126.05486	0.7
127.03926	6.1
128.02315	1.1
128.98586	1.1
129.02983	0.8
129.06610	5.4
130.05016	3.8
131.01886	1.4
131.96126	0.6
132.03429	1.4
132.04425	1.6
133.03474	10.8
134.03603	0.7
134.99673	0.6
137.02919	1.7
138.09053	0.8
141.03960	2.1
145.03516	1.4
145.04948	2.5
146.02661	0.9
146.99651	1.2
147.04033	1.2
148.03940	1.9
149.01202	0.7
149.02963	0.6
150.05539	0.9
151.04549	1.3
152.07094	1.0
155.08138	3.4
156.02654	0.9
156.07690	4.5
157.03459	1.6
159.05066	0.6
161.02931	1.9
161.05577	0.9
165.00677	0.7
166.09729	1.5
167.08240	0.6
168.04497	4.5
170.08104	1.3
172.05988	0.7
173.02972	7.6
174.03070	0.8
175.04613	0.6
175.11917	1.3
177.05058	4.0
177.06934	1.1
178.04938	1.0
183.07701	3.2
184.02336	0.8
184.04538	0.6
184.07349	2.7
184.12062	3.0
185.02946	1.0
185.12799	1.5
186.05547	0.9
186.97003	0.8
189.00734	1.4
189.05899	0.9
191.04022	7.0
192.04120	0.9
193.00102	1.3
194.04556	0.7
195.07629	1.8
197.09203	0.8
197.12842	4.7
203.03972	0.9
207.01660	0.8
212.03789	0.6
212.10580	9.9
212.13939	55.8
213.12434	3.2
213.14156	0.8
214.15514	1.1
217.06952	3.7
226.01711	0.6
233.05075	10.3
234.05307	1.4
234.98924	1.0
235.06746	3.7
240.08640	1.2
241.08159	0.9
245.05084	1.2
251.06117	1.5
253.07692	2.2
258.10971	23.2
258.14493	100.0
259.07968	8.3
259.12814	1.4
263.06116	0.9
274.07300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05504	11.0
56.96545	6.1
57.07064	12.9
58.06588	2.7
67.05510	22.1
69.07055	9.3
70.06583	7.9
71.04988	4.8
71.08604	4.3
71.31840	5.4
79.05492	11.0
81.07053	16.7
81.12441	2.5
83.08623	4.2
88.07617	7.6
89.07974	4.0
90.09219	3.5
91.05475	16.0
93.07041	18.2
95.04946	6.8
95.08619	17.5
98.97564	3.4
102.09199	4.5
103.09450	3.8
105.07050	26.3
107.08598	15.7
109.06523	7.8
109.10173	12.3
117.07030	12.7
119.08564	19.6
121.10160	59.5
123.08067	5.1
128.06198	6.4
129.07022	5.5
130.07774	4.2
131.08583	28.5
133.10147	8.9
134.99677	3.5
135.08064	16.7
135.11661	3.9
141.06949	4.9
142.07750	4.5
143.08632	14.7
145.10118	42.0
147.11699	4.8
151.02455	7.4
155.01913	4.5
155.08560	5.7
156.09415	4.2
157.10179	21.0
159.11684	25.4
161.09692	5.6
161.13321	3.3
162.03372	4.1
169.03493	91.2
169.10136	10.4
171.01414	8.7
171.11719	13.7
173.13266	17.7
183.11700	13.4
185.13220	3.5
187.11186	5.4
187.14772	4.2
192.05035	6.6
197.13315	10.6
199.14851	26.3
207.46616	3.3
213.16438	8.3
215.17960	4.0
216.56560	3.1
235.11794	35.4
239.17955	19.9
257.16028	4.9
257.19040	94.2
257.26715	100.0
258.28021	20.3
278.91754	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03933	0.9
55.01871	1.5
55.05511	5.7
57.03435	1.3
57.07065	1.2
65.03925	0.8
65.33721	0.5
65.76572	0.5
67.05507	12.3
69.07075	5.5
69.86282	1.8
69.86699	1.4
70.82483	0.5
71.05005	1.3
79.05496	8.3
81.07058	14.1
83.04971	2.0
83.08626	2.6
84.77250	0.5
86.47115	0.5
87.02195	0.5
91.04967	1.0
91.05488	14.0
93.07056	9.6
95.04958	2.2
95.08614	10.5
96.18517	0.5
97.06526	2.5
97.10170	1.3
103.05447	0.6
105.03415	0.5
105.07036	12.0
107.04936	1.8
107.08595	6.3
109.06525	2.3
109.10143	4.4
110.63356	0.6
111.08067	1.8
115.05443	1.8
116.06237	1.5
117.06216	1.1
117.07022	17.8
119.08595	9.2
121.06490	1.4
121.10160	5.2
123.08073	1.7
123.11711	0.7
125.09610	0.8
128.06218	2.1
129.06999	9.1
130.07782	2.9
131.08572	34.5
133.06508	4.9
133.10143	7.5
135.08072	2.8
135.11703	2.8
137.09624	1.1
141.07002	3.5
142.07762	1.7
143.08574	11.4
144.09326	0.9
145.06470	3.4
145.10129	42.3
147.08084	4.5
147.11676	5.0
149.09618	3.0
154.07706	0.6
155.08556	5.3
156.09395	0.9
157.10127	14.9
159.08072	4.2
159.11697	19.5
161.09605	6.3
161.13234	1.9
163.11162	1.9
165.12773	0.6
168.09357	1.3
169.10126	9.4
171.11699	11.2
172.08893	0.6
173.09666	4.6
173.13261	9.4
175.11218	5.9
175.14810	1.2
181.10074	0.8
182.10851	1.1
183.11710	8.3
184.12408	0.7
185.13298	3.6
187.11188	6.7
187.14816	2.3
189.12807	1.8
197.13283	7.8
199.14803	3.2
201.12718	4.0
201.16460	0.8
210.14102	0.7
211.14822	2.5
213.16429	2.7
215.14317	2.3
215.17953	2.1
223.35170	0.5
229.15871	1.3
229.19513	4.1
239.17941	19.6
244.40010	0.6
257.19012	100.0
258.19379	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01857	2.0
55.05506	6.6
57.03423	1.1
57.07067	1.4
59.04985	0.6
65.03943	0.7
67.05505	16.1
69.03435	0.6
69.07068	3.1
69.41092	5.2
71.04993	1.0
79.05492	10.2
81.07059	11.8
83.04988	4.7
83.08623	2.7
91.05478	12.5
93.07040	9.6
95.04955	1.6
95.08044	1.1
95.08609	14.1
97.06527	3.0
97.10162	1.8
99.31438	0.5
105.07030	14.9
105.71223	0.6
107.08595	8.2
109.06518	1.2
109.10159	5.6
110.10502	0.7
111.08073	1.6
115.05461	1.7
116.06226	1.1
117.07023	19.4
119.08580	11.2
121.06496	0.7
121.10153	6.1
123.08056	2.3
123.11719	0.6
125.09629	2.5
125.86555	0.6
128.06262	3.0
129.07008	9.5
130.07817	3.5
131.08580	23.8
133.06487	1.0
133.10127	13.2
135.08060	1.9
135.11691	2.7
137.09618	2.3
140.06825	2.0
141.06989	4.4
142.07803	1.9
143.08568	11.6
144.06769	0.6
144.09213	0.9
145.06453	2.0
145.10123	72.9
146.10522	0.8
147.08052	1.3
147.11691	4.1
149.09669	3.3
149.13142	0.8
151.11142	1.6
153.07048	1.0
154.07806	1.2
155.08562	6.5
156.09293	1.4
157.10138	16.0
159.08043	1.0
159.11693	25.8
161.09641	4.0
161.13237	2.6
163.11156	2.7
165.12752	0.8
167.08603	1.4
168.09320	1.2
169.10138	11.7
171.11697	16.0
173.09631	10.3
173.13249	9.7
175.11183	6.6
175.14774	3.9
177.12679	0.6
182.10866	1.4
183.11699	13.3
184.12445	0.7
185.13229	5.4
187.11154	4.5
187.14824	1.1
189.12793	1.8
195.11671	0.5
196.12520	1.0
197.13261	12.2
197.40549	0.5
198.13887	0.6
199.14818	1.0
201.12756	3.6
201.16470	0.8
203.14256	0.8
210.14090	1.2
211.14850	3.8
213.16422	6.8
214.16653	0.8
215.14258	2.8
215.17900	4.0
229.15819	1.3
229.19478	1.7
239.17949	33.2
257.04312	0.6
257.19003	100.0
258.19379	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	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03974	1.4
55.05514	10.5
57.07074	2.7
59.05011	1.7
60.08167	7.3
67.05508	25.1
69.07065	4.6
70.14430	1.4
71.05014	1.6
79.05492	5.9
81.07063	17.1
83.04993	1.8
83.08614	4.0
85.71013	1.4
91.05496	16.3
93.07039	6.2
94.40061	1.5
95.08605	10.7
97.10167	1.4
98.21502	3.5
105.03397	1.2
105.07044	12.8
107.05045	2.1
107.08616	3.8
108.11269	1.7
109.10164	5.8
115.05444	2.8
116.06261	1.6
117.07030	15.8
119.08572	4.6
121.10170	3.3
128.06204	3.5
129.06982	9.1
130.07776	2.6
131.08578	100.0
132.08896	1.7
133.06488	1.9
133.10139	7.3
134.99664	1.7
140.19237	1.5
141.06989	5.0
142.07828	3.1
143.08577	24.9
145.06488	5.8
145.10135	75.0
147.11670	3.5
154.94168	1.9
155.08539	6.4
157.10141	17.0
159.11702	12.7
161.09666	1.6
168.09291	1.9
169.10088	8.9
171.11737	13.8
172.95242	6.0
173.13255	4.4
183.11676	8.5
185.13292	3.5
187.11215	10.9
187.14850	1.7
190.96263	3.6
197.13246	7.9
211.14796	2.5
215.14436	2.4
239.17957	13.9
257.19019	75.4
257.26486	2.1
257.27396	2.5
257.30331	37.1
258.19357	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	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13698	2.0
55.05507	9.9
57.03422	3.5
57.07067	2.5
59.25337	2.3
61.27664	1.9
67.05223	2.3
67.05512	22.6
68.21945	1.8
69.07056	5.7
70.12786	10.9
70.13113	2.3
79.05495	9.9
81.07050	21.5
82.99865	1.9
83.04950	2.2
83.08620	3.8
84.33708	2.2
84.97343	1.9
85.06547	5.6
89.01247	2.1
91.05474	19.2
93.07028	6.2
95.08601	16.1
105.07020	13.6
107.08588	7.7
109.10150	5.7
116.06261	2.6
117.07014	28.7
119.08603	11.7
121.10153	5.9
123.08036	2.6
128.06308	4.2
129.06195	2.6
129.07010	15.7
130.07819	3.5
130.84262	1.8
131.08568	49.0
133.06493	3.2
133.10138	12.3
135.08040	3.8
141.06992	3.7
142.07773	3.4
143.08586	13.8
145.06506	2.3
145.10127	67.1
147.11617	4.8
149.09677	2.5
155.08556	6.5
157.10153	26.5
158.10855	2.4
159.11693	27.9
161.09615	6.3
161.13245	3.5
165.86232	2.1
168.09280	2.3
169.03508	3.5
169.10092	11.9
171.11684	18.8
173.09561	3.6
173.13264	12.2
175.11177	4.5
181.10272	2.4
183.11688	17.9
185.13264	7.0
187.11209	2.4
197.13303	12.6
199.14793	3.4
211.14836	5.2
213.16321	3.0
229.19545	5.6
239.17937	31.8
257.04205	3.0
257.11560	2.9
257.19031	100.0
257.22867	4.4
257.26721	8.3
258.19318	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.05507	2.0
56.96571	2.5
57.03437	6.2
59.04975	1.5
67.05515	3.1
69.03432	2.5
69.07065	2.0
70.06594	2.8
71.04998	3.6
71.12327	1.8
71.12669	2.8
75.04459	3.1
79.05491	5.0
81.07057	3.7
83.04971	4.0
84.08149	2.4
84.97155	1.3
85.02915	2.8
85.06544	1.6
91.05475	4.3
93.07047	3.2
95.04962	1.7
95.08607	2.4
97.02879	3.6
98.97580	3.5
99.04441	1.9
103.05481	3.9
105.07034	29.9
105.99204	1.4
106.92081	1.2
107.04977	3.6
107.08578	2.7
109.02910	2.0
109.06496	2.6
111.04453	2.1
111.08123	1.8
115.05484	1.3
116.06083	1.2
116.07047	1.9
116.98638	3.5
119.08589	3.3
121.10138	1.6
122.03681	3.5
123.11567	1.4
127.03975	1.4
128.06305	1.3
131.04948	2.3
133.06499	47.4
133.10117	1.6
134.99666	2.9
135.08063	1.5
137.05984	100.0
137.09567	1.8
143.08626	1.5
145.10165	1.4
147.08015	1.7
147.11635	1.4
151.03992	2.4
151.07562	2.5
153.05473	2.1
154.06833	1.8
157.04988	2.8
159.11661	1.6
161.06013	2.7
163.07555	4.2
165.09116	29.1
175.07596	3.5
177.00754	2.1
179.07050	2.2
179.10561	1.4
181.04999	1.5
181.08569	3.4
183.06596	2.9
183.10181	7.1
193.06459	2.3
197.06006	2.1
197.09566	1.7
203.10641	3.3
211.07573	2.0
211.11237	1.3
219.01781	1.6
221.11725	2.9
225.09160	2.4
229.05022	2.1
230.04451	1.5
234.98932	2.1
237.06902	1.4
239.09117	2.6
239.12775	1.7
257.04230	5.1
257.07993	2.7
257.11871	3.8
257.19147	3.9
257.22552	1.6
257.26654	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.75397	0.9
55.01868	2.1
55.05520	7.7
57.03433	1.5
57.07075	1.6
65.03944	0.9
67.05506	11.1
69.03417	0.9
69.07078	5.4
71.04990	0.8
71.61057	1.0
73.71421	0.7
79.05493	7.6
81.03383	0.8
81.07069	8.9
83.04974	2.3
83.08617	3.6
91.05486	11.1
93.07045	7.6
95.04976	1.9
95.08602	8.0
97.06533	2.0
97.10162	2.0
105.07040	15.7
107.04967	3.9
107.08593	7.2
109.06523	2.0
109.10162	3.9
109.88225	0.8
111.08031	0.8
115.05444	1.2
116.06258	1.6
117.07037	11.3
119.08589	10.3
121.06502	2.8
121.10168	4.6
123.08054	0.8
128.06261	1.6
129.07002	6.5
130.07797	1.6
131.04950	1.0
131.08577	24.9
133.06500	7.8
133.10132	8.0
135.08041	1.9
135.11647	1.8
140.06812	2.1
141.06975	2.1
142.07753	1.5
143.08568	6.6
145.06491	8.8
145.09038	1.7
145.10130	24.6
147.08035	8.0
147.11719	3.8
149.09653	2.6
155.08528	3.5
157.10130	8.8
158.07256	1.7
159.08083	8.1
159.11707	10.3
161.09630	10.1
161.13248	1.9
163.11182	2.6
169.10168	5.1
170.10820	1.2
171.11691	5.3
173.09647	12.1
173.13289	3.6
175.11205	7.1
175.14751	1.3
182.10814	0.8
183.11748	4.3
185.13287	2.1
187.11182	8.5
187.14790	1.8
189.12785	1.9
197.13245	6.5
199.14886	2.6
201.12767	5.7
211.14853	1.4
213.16261	1.7
215.14351	2.1
215.17987	2.2
229.19521	3.4
239.17970	9.2
257.04391	1.1
257.19028	100.0
257.26614	2.0
258.19333	2.0
258.27979	1.8
274.97781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01868	1.1
55.05519	0.6
56.96575	0.8
57.03439	6.0
62.34212	0.5
65.03942	0.6
67.05488	0.6
68.51151	0.4
69.03430	0.5
71.04995	0.6
71.32766	0.5
71.64342	0.4
71.75359	0.5
75.04482	2.8
75.60062	0.4
79.05489	3.9
80.36095	0.4
81.07059	1.1
83.04982	0.7
85.02896	1.3
91.05496	1.6
94.04205	0.5
95.04963	1.0
96.47330	0.5
98.97585	0.8
103.05456	2.6
105.07035	29.0
107.04945	2.0
107.08633	0.8
109.06508	1.3
109.10170	0.6
110.83970	0.4
115.05459	1.3
116.98637	0.8
117.07026	0.7
119.08572	0.7
121.06516	0.7
122.03651	3.1
123.04412	0.5
123.08108	0.5
127.03865	0.6
133.06497	48.3
134.06853	0.6
135.04471	0.9
135.08035	0.9
137.05981	100.0
138.06349	0.9
145.10100	0.6
147.04553	0.6
147.08049	0.8
149.05885	0.5
151.07460	0.5
163.03923	1.0
163.07527	4.5
165.09119	25.5
175.07533	2.6
177.00722	0.6
181.08617	1.9
183.06615	0.9
183.10170	6.8
183.11629	0.8
203.10654	1.6
209.11792	0.8
221.11725	2.9
225.07182	0.7
229.05032	0.5
233.99509	0.5
234.99088	0.7
239.12836	0.9
252.01953	0.5
257.04346	0.9
257.08224	0.5
257.13718	1.1
257.19254	0.7
257.22748	0.7
258.00516	0.7
272.30212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.9
55.01879	15.6
55.05508	5.3
56.96569	24.7
57.03439	36.4
59.04989	7.4
60.05631	2.7
61.02638	3.5
61.02927	41.3
67.05507	3.1
69.03438	31.3
70.06580	8.8
70.55672	8.4
71.01355	6.9
71.04993	13.0
72.08121	2.9
73.02923	27.9
75.04485	5.6
79.05514	2.5
81.03439	12.0
83.01354	7.3
83.04948	4.3
83.06112	3.9
84.04483	2.9
84.08113	3.9
85.02908	100.0
85.06540	4.4
86.13892	2.4
87.04474	18.7
87.47713	2.3
89.02394	6.5
91.03970	13.4
95.06088	6.9
97.02895	36.7
98.97584	22.3
99.04462	10.5
101.00848	6.5
101.02384	28.1
101.06013	7.9
103.03944	6.0
109.02888	10.5
110.07175	26.0
110.97549	3.7
112.99125	3.3
114.04346	2.5
114.05531	3.2
115.02383	5.1
115.03933	30.4
116.03462	2.6
116.98636	13.2
117.03998	4.9
119.01914	15.7
120.02031	3.5
124.03966	24.4
127.03928	27.4
128.98650	7.2
129.01837	29.7
129.05527	2.9
131.00186	6.7
131.01915	5.5
131.05573	8.3
132.04430	4.5
133.03418	5.8
133.04971	8.8
134.99628	6.9
135.05048	3.3
137.03012	3.6
141.01794	2.4
143.03391	16.9
145.03453	5.1
145.04974	38.1
146.99638	6.2
147.02962	4.8
148.03835	5.6
149.01263	2.7
149.06647	13.7
150.06702	12.9
153.05789	38.7
153.55934	4.0
154.03900	3.4
155.08130	7.8
157.01347	26.5
158.99709	4.6
161.01476	2.4
161.03038	6.1
161.04483	25.7
161.06631	10.6
162.06345	25.5
163.02853	2.5
163.04562	5.3
163.06044	13.9
164.08176	2.9
165.00697	2.6
169.04495	6.3
170.05212	3.6
171.01498	3.4
171.02782	13.4
173.01112	2.9
173.06628	2.8
173.57100	8.6
175.02579	4.2
175.05383	2.9
177.00717	5.6
177.04169	2.7
179.07475	2.5
184.04576	6.1
187.04614	2.9
189.02438	4.9
189.03943	93.1
189.55763	2.6
190.98634	3.9
196.07208	17.3
198.04747	3.8
203.05522	29.8
203.07414	5.4
207.01761	4.2
207.05089	4.8
210.08794	8.2
210.12436	24.5
211.10976	2.6
215.07625	2.7
219.01752	3.5
221.06590	11.1
232.99739	3.1
237.02852	6.4
256.09457	22.7
256.12982	42.3
256.26392	5.4
257.12558	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2319
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
54.58379	2.5
55.01867	4.9
55.05264	4.3
55.05514	62.7
57.03420	7.8
57.07079	81.3
59.04985	3.4
60.08162	3.9
67.05508	32.0
69.03438	3.2
69.07071	100.0
69.39973	19.1
69.40400	6.8
71.04990	7.7
71.08629	42.1
73.02911	2.4
73.06540	4.7
79.05494	29.2
81.07059	60.5
82.02791	2.5
83.04969	10.9
83.08145	4.5
83.08624	85.2
85.02909	2.8
85.06551	8.2
85.10195	22.6
91.05474	8.7
93.07050	40.8
95.08614	45.5
97.06535	33.1
97.10178	50.0
98.98480	19.8
99.08103	4.9
101.06035	5.1
105.07020	8.8
107.08601	36.2
109.06537	4.7
109.10162	28.0
111.08070	19.1
111.11745	14.2
115.07555	7.2
117.06979	3.7
119.08564	4.3
121.10138	42.3
123.11708	21.2
125.09692	15.6
125.13233	3.5
128.06247	5.1
129.06929	3.9
129.09103	5.8
131.08563	7.7
133.10112	2.9
135.11705	41.7
137.13255	13.0
139.11192	15.4
143.08566	10.8
143.10655	6.3
145.06526	3.8
145.10112	7.0
147.11671	3.3
149.13266	32.1
151.14771	3.7
153.12750	14.1
155.08585	4.8
157.10164	10.0
157.12283	3.0
159.08099	3.0
159.11734	6.7
163.14828	24.0
167.14278	12.2
169.10027	5.8
171.08029	4.2
171.11711	4.1
173.09625	6.1
177.16385	9.1
181.10153	5.9
181.15843	8.3
183.11671	4.8
185.09561	3.3
185.13307	4.7
187.11214	4.0
195.11742	5.4
195.17352	2.6
199.14737	2.7
209.11655	3.4
211.14806	2.8
219.21112	61.8
227.17928	6.1
237.16341	6.6
237.22153	33.7
255.17485	70.9
255.21118	6.4
256.17676	5.0
256.30023	20.5
258.38992	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	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
54.29847	1.8
55.05519	16.8
57.03439	22.2
57.07074	3.6
57.44225	2.1
67.05515	43.1
69.03436	2.5
69.07067	24.1
71.01357	4.8
71.04990	5.1
71.59773	2.4
79.05499	37.2
81.03431	6.1
81.07067	32.2
83.04980	13.3
83.08612	9.8
85.06552	4.9
91.05489	21.7
93.07062	39.4
95.04987	7.7
95.08611	15.7
97.06555	11.8
97.10182	9.0
98.98479	22.4
99.08103	4.7
105.07038	13.3
107.04973	2.9
107.08606	26.8
109.06569	2.7
109.10175	9.0
111.08085	4.6
111.11740	2.6
115.05508	2.2
116.49660	2.3
117.07020	9.3
119.08598	7.6
121.06508	2.0
121.10165	9.8
123.08035	2.3
125.09694	3.5
125.54114	1.9
128.06236	3.3
129.07048	13.8
129.07883	2.2
131.04976	2.5
131.08578	6.0
133.10121	6.6
135.08104	3.8
135.11705	49.3
137.09619	3.6
139.11269	2.0
141.07028	5.7
142.07794	5.5
143.08583	23.6
145.06546	3.0
145.10143	16.6
147.11630	3.0
149.09653	2.7
153.06979	2.6
154.07735	3.1
155.08551	9.8
157.10144	26.4
159.08098	3.7
159.11752	8.5
161.09613	3.4
163.11235	6.2
165.07039	3.3
167.08591	7.3
169.10138	7.2
171.08115	2.9
171.11757	15.6
173.09656	7.9
175.11197	3.0
181.10146	12.0
181.12254	9.0
183.11687	21.8
185.09647	5.5
185.13292	4.9
187.11226	5.1
189.12697	3.3
195.11720	9.1
197.13358	5.8
199.11243	5.0
199.14871	2.8
209.13307	5.6
211.14795	3.5
213.12781	5.5
213.16382	2.2
227.14406	3.4
227.17950	9.0
237.16441	19.2
238.67229	2.1
252.27386	2.1
255.17775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.01865	7.1
55.05513	27.3
57.03181	3.9
57.03436	44.1
57.07063	5.8
59.05032	3.1
65.03934	2.5
67.05505	75.6
69.03413	5.0
69.07063	31.3
71.01358	3.1
71.04992	5.6
71.57975	3.1
79.05493	75.5
81.03419	10.6
81.07057	50.7
83.04985	22.3
83.08623	13.2
85.06532	6.4
91.05491	33.2
92.70558	2.6
93.07045	65.0
95.04971	11.6
95.08606	23.3
97.06528	25.9
97.10168	18.2
98.98479	25.0
99.04469	3.0
105.07031	13.1
107.08597	49.9
109.06512	5.1
109.10191	12.4
111.08085	5.4
111.11690	3.0
117.07029	15.9
119.08600	17.6
121.10148	18.3
123.11743	3.3
125.09647	6.1
127.03829	4.5
128.06227	6.7
129.06992	15.9
131.08563	9.5
133.10127	9.1
133.24548	2.8
135.08029	3.8
135.11687	100.0
137.09576	3.1
141.06990	7.6
142.07733	9.1
143.08565	25.0
145.10100	29.2
153.12773	4.7
155.08540	10.3
157.10127	28.8
159.08026	4.6
159.11678	7.8
161.09566	3.6
163.11208	12.7
165.06923	4.5
167.08539	7.9
169.10159	17.1
171.08040	3.0
171.11664	20.4
173.09657	6.7
181.10178	14.3
181.12183	16.8
183.11699	18.2
185.09624	6.1
185.13173	3.6
187.11157	6.7
195.11690	10.4
195.13742	3.3
199.11217	6.8
199.14839	4.2
209.13263	7.3
211.14853	5.1
213.12700	7.5
227.14171	3.7
227.17995	9.0
237.16452	21.8
255.06535	6.3
255.10075	5.3
255.15511	35.6
255.17422	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
53.28616	2.0
55.01859	5.0
55.05508	29.3
57.03437	49.0
57.07062	8.0
57.99341	2.3
60.53883	2.1
67.05506	85.6
67.26354	2.1
69.03422	3.3
69.07067	27.6
70.43840	5.6
70.44230	3.5
71.01351	4.9
71.04988	10.3
73.07220	2.3
79.05492	76.3
81.03394	9.5
81.07050	42.7
83.04971	23.2
83.08616	12.1
85.06538	6.4
91.05481	37.0
93.07046	84.6
95.04974	14.2
95.08599	22.9
97.06525	27.0
97.10171	16.0
98.98454	20.8
99.04457	3.2
99.08060	3.8
99.29560	2.3
103.05403	3.1
105.07019	13.4
107.04917	4.5
107.08598	58.4
107.37126	2.8
109.06483	4.4
109.10133	9.1
109.47034	2.1
111.08067	4.2
111.11711	2.6
117.07028	15.2
118.93497	2.4
119.08574	13.2
121.06519	3.5
121.10156	12.8
125.09576	3.4
128.06242	4.9
129.06993	10.4
131.08572	9.0
133.10130	11.8
135.11693	100.0
135.78992	2.3
137.09581	6.1
140.10843	2.6
142.07765	4.4
143.08588	14.7
145.06421	3.3
145.10135	24.7
149.09720	2.4
151.11156	2.5
153.12666	4.0
155.08557	6.2
157.06465	3.5
157.10181	12.2
159.08131	4.1
159.11717	3.3
163.11157	13.4
167.08508	4.4
169.10167	5.8
171.11673	8.7
173.09575	6.0
175.11183	3.9
181.10014	3.5
181.12265	19.6
183.77098	2.3
185.09608	5.7
187.11185	2.6
195.11702	4.4
199.11212	6.2
201.12877	2.4
209.13315	2.7
211.14757	3.4
213.12746	4.2
213.16394	2.7
227.17978	4.9
237.13147	3.8
237.16394	10.9
250.97618	2.6
255.06923	4.3
255.10141	4.9
255.15694	52.8
255.17545	65.2
256.26337	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	255.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57906	0.4
55.05513	2.8
56.96568	0.7
65.03936	0.5
67.05505	2.0
68.99789	1.6
69.03432	0.6
69.07063	1.1
70.72246	1.5
71.44724	0.5
77.81395	0.4
79.05470	0.7
81.07066	2.7
83.04984	1.7
83.08611	0.6
85.02909	0.6
91.05423	0.5
92.17722	0.4
93.07037	0.6
95.08605	0.8
98.97600	2.7
98.98463	1.1
101.06021	2.0
103.05487	0.4
105.07051	1.2
107.04976	1.5
107.08616	0.7
110.97591	0.4
111.00813	7.0
111.04422	2.9
116.98608	1.4
117.06982	0.6
119.08601	0.6
121.06497	0.4
123.04461	0.7
127.03931	11.1
128.98601	0.7
129.05479	1.2
131.04953	0.8
133.10031	0.5
135.08032	1.0
135.69586	0.6
139.03886	0.9
145.10194	0.5
147.04385	1.0
147.06532	1.2
147.11690	0.9
149.05974	1.5
151.07594	0.5
152.14301	0.9
153.01851	5.6
155.04936	1.6
158.29825	0.4
159.04459	0.9
163.03923	1.7
163.07535	0.9
168.76192	0.4
171.04434	1.9
177.00627	0.5
181.04965	1.0
183.04500	2.3
187.03833	0.6
191.07047	28.1
199.03903	3.6
211.03926	3.4
212.10718	0.5
214.08556	1.7
219.04381	1.0
219.06548	20.8
223.05475	0.6
223.09131	3.1
223.59225	0.5
227.03404	1.0
234.59930	1.2
236.62595	1.2
237.07584	3.9
245.63112	0.7
246.12985	0.7
254.63708	2.8
255.02904	100.0
255.13443	3.2
256.03235	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	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03933	5.5
53.77038	1.9
55.01850	3.6
55.05516	28.0
56.30561	2.2
56.96550	2.9
57.03436	39.8
57.07050	6.0
58.64712	2.0
67.05505	69.1
69.07072	26.2
69.95905	12.9
70.06578	4.7
71.01309	4.9
71.04962	7.5
71.34998	2.3
79.05493	69.6
81.03397	6.8
81.07057	39.9
81.74871	2.3
83.04976	21.1
83.08591	9.4
85.06502	7.1
88.07632	2.2
91.05482	29.6
92.18886	2.2
93.06490	4.6
93.07043	71.9
95.04968	11.6
95.08610	15.9
97.06541	23.5
97.10183	17.7
98.98470	21.2
99.04408	2.4
99.08106	3.3
105.06980	7.3
107.04915	4.4
107.08598	49.9
109.06529	5.8
109.10153	13.2
110.32781	2.1
111.08069	5.2
117.06970	9.3
119.08579	14.1
121.06418	6.3
121.10162	16.2
123.08079	2.3
125.09587	3.0
128.60097	2.1
129.06958	4.3
131.08514	2.9
133.10092	6.9
134.81360	2.4
135.07979	5.5
135.11690	100.0
137.09608	4.8
145.10115	18.7
160.49672	2.1
163.11147	16.2
171.11760	3.6
172.95151	5.5
181.12260	21.1
190.96185	4.3
195.11684	2.5
199.13089	2.8
219.21048	3.8
232.96364	2.5
237.18428	2.8
238.74638	2.0
255.15813	77.2
255.19958	4.2
256.09644	2.9
256.26331	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	255.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11094	0.2
53.03904	0.3
55.01825	0.5
55.05446	1.1
56.96505	0.7
57.03378	0.4
57.07042	0.5
65.03878	7.3
65.04248	0.5
66.24245	0.2
67.05431	1.1
69.03391	0.3
69.07004	1.1
70.06544	0.4
70.99810	0.5
71.00175	0.5
72.08128	0.3
79.05430	0.8
80.04974	0.5
81.03350	1.0
81.07066	1.8
82.06541	0.3
83.04916	0.5
83.08560	0.7
84.04462	0.2
85.02844	0.5
85.06495	0.5
90.03408	0.4
91.05405	0.7
91.70859	0.3
93.03394	2.0
93.07030	1.2
94.04158	0.3
95.04894	0.8
95.08533	0.8
95.54634	0.2
97.02856	0.5
97.06478	0.5
98.97561	0.5
98.98405	2.2
99.04443	0.3
100.11236	0.3
103.05415	0.4
105.06945	0.7
107.08523	1.0
108.04494	0.5
108.08057	1.0
109.02824	0.6
109.06451	0.4
109.10072	0.9
111.04446	3.6
111.08025	0.2
115.05405	0.7
116.04960	0.4
116.98560	0.5
117.04494	1.2
119.08537	0.4
121.03986	1.4
121.06453	0.3
121.10092	0.6
125.09585	0.6
127.03884	0.5
131.04877	0.9
133.10097	0.3
134.02359	0.4
134.99545	0.3
135.08028	0.3
135.11667	1.2
136.03946	6.7
137.03448	0.3
137.09689	0.3
139.11122	0.2
142.89774	0.3
143.08527	0.3
144.08049	0.3
145.03973	17.8
145.06406	0.6
145.10086	0.3
148.03917	0.4
149.13120	0.3
154.06551	1.5
155.04926	1.5
155.05965	0.4
158.05992	0.5
159.04372	0.7
159.11655	0.3
162.62056	0.2
162.75230	0.2
163.11113	0.3
167.07222	0.3
170.06017	0.5
171.04443	1.9
172.07570	3.4
175.07579	0.3
177.00703	0.4
181.07539	0.6
182.06012	11.0
183.04449	1.7
187.03918	0.4
191.10638	0.3
193.08597	0.3
199.03906	4.1
199.05777	0.5
200.07094	2.6
201.16321	0.4
209.07146	2.1
210.05515	2.7
211.03926	3.4
211.05927	0.4
219.13756	0.3
219.21111	0.3
225.53728	0.3
227.03394	0.8
227.08167	1.5
228.06558	96.9
229.07027	1.7
237.06621	2.1
237.11087	0.5
237.18552	0.4
238.05145	0.5
238.07353	0.9
255.02927	100.0
255.07593	75.3
255.15044	0.6
255.20667	0.9
256.03256	3.8
256.07800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.7
56.96568	0.7
57.07062	1.1
65.03936	1.7
67.05508	1.2
69.07069	1.6
69.40170	2.6
69.40388	0.5
70.06571	0.3
71.04982	0.4
71.08611	0.3
79.05476	1.3
81.03408	0.6
81.07061	2.8
83.04958	0.3
83.08614	1.1
84.04501	0.5
85.02918	0.5
85.06523	0.5
91.05492	1.0
93.03407	0.5
93.07037	1.5
93.36910	0.3
95.04971	0.4
95.08595	1.3
97.06514	0.4
98.97546	0.4
98.98479	3.6
103.05464	0.8
105.07023	0.8
107.08585	1.0
109.10140	0.9
111.04443	0.7
111.08033	0.5
111.40475	0.3
114.05634	0.3
114.09161	1.1
115.05442	0.7
116.98637	0.5
117.04540	0.3
117.07013	0.4
119.08560	0.7
121.10157	1.1
123.08073	0.4
123.11674	0.4
125.09571	0.4
131.04906	1.3
131.08633	0.5
133.06601	0.3
133.10118	0.4
135.11668	0.9
136.03967	1.6
143.04953	0.3
145.03981	4.2
145.10130	0.5
149.13213	0.4
155.04906	1.0
159.04433	1.1
161.13257	0.3
168.98439	0.3
171.04445	1.7
172.07608	0.8
173.13292	0.4
181.04860	0.6
182.06004	2.3
183.04449	1.6
187.04004	0.6
199.03922	4.3
200.07082	0.6
210.05466	0.5
211.03912	3.5
227.03423	1.1
228.06558	22.6
228.12328	1.8
237.14850	0.4
247.10577	0.3
255.02902	100.0
255.07361	18.5
255.20850	1.8
256.03290	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
56.96554	0.4
57.07077	0.4
65.03935	0.9
67.05501	0.6
68.99789	0.5
69.07064	0.7
71.04975	0.4
71.34777	0.3
71.35092	0.4
77.63322	0.3
79.05486	0.5
81.07064	1.5
82.06570	0.3
83.04965	1.0
83.08622	0.6
83.19707	0.2
91.05476	0.5
93.07043	0.8
95.08598	0.9
97.06477	0.3
98.09717	0.4
98.97595	1.9
98.98463	2.0
99.04475	0.3
100.11225	0.4
101.06013	0.5
103.05452	0.4
105.07020	0.9
107.04964	0.8
107.08611	0.8
109.06544	0.3
109.07654	0.4
109.10173	0.4
111.00800	2.7
111.04420	2.4
112.44812	0.3
115.05461	0.6
116.98602	0.7
119.08600	0.7
119.11195	0.3
121.03988	0.9
121.10146	1.0
123.04398	0.3
125.09655	0.3
127.03933	3.6
129.05473	0.3
131.04945	0.8
133.10152	0.5
134.99669	0.5
135.11728	0.3
143.04970	0.4
145.03970	5.0
145.06456	0.3
145.10114	0.3
147.06464	0.3
147.11673	0.5
149.02330	0.3
149.06030	0.5
151.03943	0.3
152.14352	0.4
153.01836	1.5
155.04947	1.2
158.99684	0.3
159.04430	1.0
161.13171	0.3
163.03928	0.8
167.08527	0.3
171.04408	1.9
173.13271	0.4
175.14842	0.3
175.32414	0.3
177.00752	0.9
181.67508	0.3
183.04422	1.8
187.03886	0.4
189.64119	0.2
191.07033	8.4
193.05029	0.4
199.03917	4.0
199.74654	0.3
211.03911	2.9
214.08513	2.6
214.58833	0.3
219.01791	0.3
219.06522	6.1
223.09175	1.9
227.03473	1.3
228.06555	0.4
234.59897	0.8
235.09891	0.3
236.62509	1.7
237.07597	1.2
237.12698	0.5
237.14970	0.3
245.63185	1.1
246.13075	0.8
254.63632	4.5
255.02890	100.0
255.07545	5.4
255.13506	4.5
255.63828	0.4
256.03198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
50.12686	0.7
55.01872	1.5
55.05511	4.1
56.96573	1.0
57.03441	1.2
57.07072	2.0
65.03956	0.7
67.05504	13.4
69.03432	100.0
69.07072	4.7
70.70610	2.0
71.04994	2.1
79.05487	8.0
80.68737	0.8
81.03431	1.2
81.07060	16.7
83.05001	1.9
83.08612	3.1
85.06542	1.5
89.75785	0.8
91.05484	14.0
93.07043	10.7
93.66788	0.7
95.04977	2.4
95.08617	9.0
97.06543	4.4
97.10178	1.7
98.98471	36.0
99.08128	1.4
105.07043	7.9
107.08598	8.6
109.06522	4.1
109.10160	7.2
111.08036	1.5
116.99535	1.2
119.08594	4.7
121.06537	1.2
121.10151	5.2
123.08066	4.1
123.11687	3.9
125.09630	1.0
129.07005	0.9
131.08617	2.6
133.10139	21.2
135.11702	1.9
137.09657	2.0
139.17844	0.7
140.01096	1.3
147.11694	4.2
149.09650	3.2
149.13269	2.5
149.14369	0.8
151.11177	6.3
157.10158	1.8
161.13356	1.0
165.12726	1.0
172.44772	0.8
175.11200	1.8
176.98903	1.2
179.10732	0.9
189.16371	4.2
197.11728	2.4
199.14926	2.4
207.17499	2.8
217.15915	4.1
225.14853	1.0
235.16937	32.6
253.14445	2.6
253.18071	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	254.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.8
55.05517	2.8
56.05023	1.0
56.96569	2.5
56.96806	0.6
57.03417	1.5
57.07059	0.7
60.04532	4.3
61.02938	1.0
67.05484	0.5
68.05032	0.8
69.03414	1.7
69.07037	0.5
69.73368	1.2
69.73781	2.3
70.06596	3.6
71.01367	0.7
72.08170	1.0
73.02909	0.9
73.06557	2.9
74.06877	1.7
75.04443	0.7
75.52282	0.5
79.05482	2.5
80.05032	0.7
81.03414	1.3
81.04537	1.2
81.07066	11.0
82.05305	1.7
83.04948	0.6
83.05639	0.6
83.06107	12.0
84.08144	1.0
85.02915	5.1
86.03230	1.7
86.99722	0.5
91.03916	0.6
93.04533	7.1
94.06561	1.1
95.05503	0.9
95.06094	17.1
97.02860	1.4
98.06026	1.6
98.20798	0.6
98.97559	1.3
98.98482	5.3
104.05798	0.6
107.06052	1.8
109.02833	0.9
109.06372	0.6
110.03250	0.6
110.07170	62.1
111.05592	2.7
112.07581	0.6
112.08717	1.8
116.98601	1.8
116.99403	0.6
120.06808	0.5
120.08079	1.9
121.02854	0.8
121.07590	1.3
121.08437	3.6
123.04431	1.5
125.07104	1.4
127.03934	1.3
128.04195	0.7
134.99651	1.0
136.07532	1.2
145.04944	1.5
146.05225	0.7
146.09619	0.7
147.04346	0.6
149.10614	0.5
150.07430	0.5
156.07683	2.5
163.07593	0.9
163.12315	32.4
167.11754	1.6
180.12582	1.7
181.13342	2.2
188.92366	1.3
190.13426	11.6
193.13405	4.1
195.05103	0.7
195.11290	8.1
208.14474	50.6
209.12796	2.1
210.15991	1.4
213.34882	0.6
219.05022	1.5
236.14046	1.2
254.14984	100.0
255.09885	0.6
255.15126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
51.30228	1.0
53.03944	0.9
53.99023	0.9
55.01872	7.2
55.05505	4.0
57.03424	2.1
57.07073	2.0
57.89759	1.0
59.76674	0.8
62.48266	0.9
67.05176	1.5
67.05507	23.7
69.03412	1.5
69.07075	6.8
69.42386	8.9
71.04987	2.1
79.05492	9.6
81.03405	4.4
81.07059	23.7
83.04976	4.0
83.08607	3.3
85.06519	3.3
91.05479	20.0
92.09922	1.0
93.07063	8.2
95.04966	2.9
95.08584	4.3
97.06523	1.6
98.98467	26.6
99.04442	1.2
105.07037	16.4
107.04956	1.3
107.08600	16.3
109.06504	3.1
109.09458	2.0
109.10155	29.1
113.13612	0.9
117.40575	0.9
119.08544	2.0
123.11713	5.5
127.07478	1.5
128.06267	1.0
131.08589	1.1
133.10129	32.6
135.11676	1.5
140.01125	1.1
151.11182	18.6
161.03633	0.9
161.09682	1.2
169.12263	4.7
174.99150	1.0
197.11713	2.2
211.18549	0.9
253.14354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01868	2.1
55.05513	7.0
56.96572	1.0
57.03442	5.2
57.07072	1.1
61.02931	8.4
67.05495	0.7
69.03077	0.9
69.03436	16.5
69.07062	0.9
69.66264	2.4
69.66685	1.1
70.06590	2.7
71.04981	1.7
73.02927	3.5
73.06558	31.8
81.03421	6.3
81.07060	1.8
84.08141	1.1
85.02909	100.0
86.03248	0.5
86.30657	0.5
87.04475	1.9
89.06025	0.6
91.03935	3.5
91.05436	0.5
95.04963	0.6
95.08607	1.6
97.02896	18.8
98.98473	21.6
99.04452	4.7
101.02404	1.0
103.03940	1.3
103.05504	0.5
105.07050	0.7
107.08604	0.5
109.02885	8.2
110.07169	2.0
115.03969	1.1
116.98648	0.7
116.99464	1.1
119.04954	0.5
120.08124	4.3
127.03928	22.0
136.73045	0.5
137.02280	0.5
141.05508	1.1
145.04964	23.4
147.04414	0.6
153.10915	0.4
160.41203	0.5
162.05536	1.4
163.06018	4.9
163.12340	0.9
166.05089	0.6
166.11401	1.5
175.11961	0.7
176.98941	0.6
187.92812	0.8
197.11732	1.5
205.93945	0.5
208.14488	1.3
238.75972	0.5
253.08537	0.7
253.12346	1.8
254.14941	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1959
Annotation	CHEBI:70402
Peak:m/z	Relative Intensity
55.05510	5.1
57.07066	1.8
58.06596	1.7
58.51576	0.6
58.77124	0.6
59.05000	2.2
60.04530	9.3
65.03928	0.9
67.05501	2.9
69.03445	1.0
69.07074	7.2
69.31221	3.7
69.31654	3.1
70.06582	3.1
76.37926	0.7
79.05492	1.4
81.07068	3.3
83.04971	2.7
83.08612	2.7
84.08142	2.3
85.06538	1.1
86.06061	2.5
91.05511	3.3
93.07050	4.6
94.07361	0.8
95.08611	5.7
96.08131	1.8
97.02879	1.1
97.06533	1.7
98.97548	0.9
98.98473	19.9
103.05468	1.1
105.07034	6.5
106.07406	0.8
107.04976	0.9
107.08603	8.5
109.02930	0.8
109.06526	1.5
109.10155	8.5
111.08066	1.5
112.07581	0.8
114.05514	0.7
114.09237	0.9
114.26115	0.7
116.98638	0.9
119.08587	23.5
119.10373	0.7
120.08106	5.3
121.10152	31.1
122.09663	1.8
123.08076	3.0
123.11668	1.3
124.07613	0.9
127.03922	1.7
130.07385	0.7
131.08562	1.0
133.10147	16.1
135.11732	3.8
137.09616	2.7
140.10741	3.5
145.10123	1.1
147.11687	2.9
149.06035	1.0
149.13266	45.8
150.13771	1.0
151.14844	1.8
153.01823	5.0
153.09039	1.4
161.05956	2.0
164.14375	0.7
170.06886	0.7
171.11548	0.7
173.13261	1.0
175.14841	41.4
178.05794	0.7
181.05070	0.9
188.07118	0.7
191.06918	0.8
192.17490	5.4
193.08609	2.0
193.15936	3.2
194.08920	0.7
205.98810	1.1
206.06311	0.7
206.08200	3.0
208.16972	2.2
209.08015	0.8
210.18681	1.1
211.17036	1.6
216.07393	0.9
217.04922	1.2
217.12294	0.9
234.11937	0.9
234.18526	9.7
235.05977	3.0
252.12285	9.5
252.19609	100.0
253.07106	2.1
253.15814	0.9
253.19937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05499	5.0
57.03433	1.4
57.07073	2.9
57.22302	1.1
58.06595	2.5
62.12490	1.0
67.05507	6.1
69.07072	8.6
69.73394	6.8
69.73820	2.5
70.06588	2.5
73.19909	1.1
79.05487	6.4
81.07058	9.3
83.04945	1.7
83.08644	2.1
84.08149	2.5
85.10186	2.1
87.00816	2.1
91.05480	3.8
93.07047	35.8
95.04976	1.8
95.08611	9.1
97.06551	2.5
98.97533	1.5
98.98470	21.7
103.05468	4.6
104.03496	6.4
104.04070	1.2
105.07021	5.1
106.06525	4.5
107.04959	15.6
107.08602	25.4
108.08107	1.5
109.02839	1.8
109.06528	4.5
109.09449	2.4
109.10159	31.4
110.09705	1.3
111.08087	1.9
112.07615	2.3
114.09203	2.0
116.98657	1.4
116.99465	1.4
118.06551	7.9
119.08597	9.0
120.08113	67.5
121.08473	2.0
121.10133	7.3
123.08080	2.5
123.11702	5.6
125.09665	8.3
128.10719	8.4
129.06990	1.5
131.04912	4.8
133.10130	10.6
135.11700	74.6
136.06216	8.8
137.09631	4.2
139.11177	2.7
146.06020	12.9
147.11720	5.8
149.09563	1.2
149.13237	2.3
151.11186	10.2
157.48157	1.0
163.11220	4.6
165.16399	3.4
166.08681	1.8
175.14857	6.3
188.07065	11.8
189.16368	13.5
192.06596	4.6
193.15878	12.5
206.08136	44.1
207.08498	2.8
207.17471	12.1
210.18462	7.6
212.50453	1.3
217.15903	4.3
234.13486	1.6
234.18584	4.5
235.09651	2.0
235.16881	3.5
252.08664	1.7
252.12204	4.8
252.14610	3.6
252.19615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03946	1.4
55.05517	2.7
56.96558	2.0
57.03452	1.3
57.07064	1.8
58.03411	0.8
65.03921	0.9
67.05508	10.5
69.07073	3.7
71.04990	2.3
71.59962	1.1
71.60378	1.5
79.05499	8.3
81.03429	7.1
81.07053	13.2
83.04989	1.8
83.08619	1.3
85.06521	1.0
91.05491	9.3
93.07058	10.5
95.04970	16.2
95.08601	8.7
97.06539	2.1
97.10127	1.0
98.98471	100.0
105.07022	7.6
107.04938	2.1
107.08595	6.2
109.06548	4.1
109.10164	3.9
115.05531	1.0
116.99526	4.3
117.07043	3.4
119.08592	5.7
121.06496	2.9
121.10163	3.6
123.04438	1.1
123.08074	2.4
123.11710	1.5
129.06998	1.5
131.08569	5.3
133.06502	2.1
133.10103	2.1
135.08057	2.4
135.11711	4.0
137.05959	1.6
137.09627	1.0
140.01073	2.2
145.10136	3.6
147.11693	1.8
149.06078	1.2
149.13380	1.0
151.14377	1.0
153.12766	2.7
159.11670	1.0
161.05984	1.8
163.11220	1.2
163.15096	0.9
173.13271	1.5
174.99242	4.0
175.11302	0.9
178.59447	0.8
187.14801	2.4
193.08595	1.3
197.13242	1.3
205.15909	2.0
205.98763	1.7
215.14325	1.4
224.16483	1.3
233.15410	10.4
233.18918	1.7
251.05090	1.3
251.16095	6.9
251.20117	3.2
251.23828	1.1
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	N-Feruloylglycine
Peak:m/z	Relative Intensity
53.80701	0.7
55.05517	1.5
56.96565	0.9
57.07079	1.9
57.43622	0.7
70.06596	41.9
71.00327	1.6
71.04999	1.4
71.50572	0.7
81.03420	3.6
83.04983	1.5
85.02890	1.9
87.71378	0.7
91.05462	0.8
92.71237	0.7
95.04973	0.9
97.06528	0.7
98.97589	2.2
98.98477	8.7
105.07058	0.9
109.02878	2.4
109.06467	0.9
109.10164	0.9
116.07098	94.6
116.98582	1.4
120.08099	1.0
127.03905	3.3
131.00168	0.7
133.10117	0.8
136.62630	0.8
137.02353	100.0
138.02655	1.1
151.11201	0.8
176.96931	1.3
201.05231	1.1
206.08234	0.9
220.07770	2.4
225.16788	1.0
229.08450	0.9
252.06317	1.2
252.08656	5.8
252.15794	1.1
252.19753	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.4
56.96558	2.6
67.05510	1.1
69.03439	1.6
69.07066	1.3
69.77167	5.4
70.06566	0.9
73.02913	0.8
79.05503	1.9
81.07077	1.8
85.02904	2.0
85.06513	0.8
87.00838	3.4
91.05480	1.8
93.07037	1.9
95.08608	1.0
97.02894	2.1
97.06562	1.0
98.97592	2.6
98.98479	17.0
103.05447	5.6
105.07024	1.8
107.04945	1.4
107.08631	1.0
109.02870	0.9
116.98602	1.4
118.06552	9.0
120.08114	100.0
121.10174	0.8
121.75259	0.8
131.04958	0.9
134.99690	1.8
136.06194	9.9
140.77063	0.7
146.06018	17.4
146.07088	1.4
158.99632	0.9
161.06006	1.4
166.08635	1.9
169.06450	1.8
177.00650	0.8
177.05817	0.8
178.06532	4.1
181.08615	2.6
188.07083	17.8
192.06635	0.9
205.98790	1.3
206.06075	6.1
206.08125	70.6
224.07144	1.9
229.00421	1.3
234.05551	2.5
234.07700	1.9
250.13506	1.1
252.06575	8.0
252.09190	4.3
252.12282	2.3
252.14642	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	252.1232
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
54.19043	0.8
55.01865	1.2
56.96559	2.9
60.04507	0.9
71.59907	1.2
77.84490	0.7
79.05485	2.3
81.07056	1.9
91.05486	1.9
93.07022	0.9
95.04973	0.8
95.08588	1.6
98.98471	25.2
103.05455	1.7
105.07034	21.5
109.10172	0.8
113.94681	0.8
115.05463	4.1
116.99505	1.0
131.04860	0.9
132.08038	1.2
133.06488	21.9
133.10110	0.9
141.55659	0.8
143.06041	1.1
157.13356	0.9
159.06880	1.0
160.07585	18.3
161.05983	26.0
167.07036	3.5
178.08704	1.1
188.07088	2.8
191.09413	19.8
191.11073	1.4
192.10274	0.8
193.08611	36.6
205.98759	2.5
206.08144	8.7
208.09636	2.2
210.11279	5.8
219.08937	6.6
220.09709	1.1
222.07626	2.3
229.00404	0.9
229.07515	2.7
236.09158	1.1
237.09940	11.5
247.08565	3.0
252.12323	100.0
252.23033	2.0
253.08730	1.5
253.12677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
55.01874	0.8
55.05501	3.1
56.38234	0.9
56.96553	2.5
57.07055	1.2
59.04981	1.1
61.18042	0.9
67.05508	7.6
69.07068	3.1
70.56502	1.0
70.56839	2.3
71.04990	1.2
79.05488	8.9
81.03418	1.6
81.07048	10.9
83.04975	1.2
83.08588	1.5
91.05476	9.4
93.07065	5.8
95.04967	4.4
95.08611	6.5
97.06512	1.2
98.20902	1.0
98.98467	100.0
103.05483	1.0
105.07040	7.6
107.04967	2.0
107.08601	4.4
109.06524	1.6
109.10149	3.2
116.99483	4.6
117.07008	3.6
119.08590	6.4
121.06476	0.9
121.10149	2.4
123.08051	1.7
125.90169	0.8
129.06987	1.9
131.08577	6.8
133.10110	1.9
135.08017	1.3
135.11659	2.2
137.09608	1.1
140.01059	3.2
145.10130	2.4
147.11684	1.4
148.02045	0.9
153.12750	1.7
159.11708	1.4
168.76430	0.8
171.11690	1.1
173.13266	1.6
174.99266	5.2
187.14787	2.0
188.18925	0.9
197.13242	1.4
205.15996	0.9
205.98793	1.2
209.20937	1.0
215.14363	1.6
229.00409	1.2
229.07631	1.3
233.15375	9.3
251.16342	2.3
251.20038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
52.26273	0.9
55.05521	5.0
55.05738	1.1
56.96544	1.8
57.03436	1.2
57.07048	3.9
57.36148	0.8
58.15820	0.9
59.04980	3.1
65.03930	1.2
67.05511	8.1
69.03433	5.3
69.07080	5.5
70.66137	3.3
71.04997	20.3
79.05500	6.6
81.03387	3.0
81.07065	11.4
83.04967	4.6
83.08578	4.0
85.02883	1.9
85.06551	4.3
91.05479	7.6
91.54171	0.9
93.07050	9.8
94.06576	1.4
95.04981	6.9
95.08621	10.0
97.06522	8.1
98.98471	100.0
99.04453	1.3
105.06502	1.0
105.07036	9.1
107.04938	2.3
107.07984	0.9
107.08606	9.2
109.06448	3.5
109.10162	8.6
111.08101	4.8
113.05946	3.1
113.09622	1.1
116.98692	1.0
116.99481	5.4
117.07008	3.0
119.08598	13.8
121.06419	3.3
121.10159	14.8
123.08057	4.6
123.11714	5.0
125.05978	8.1
125.09551	1.1
129.06921	1.8
130.07732	1.2
131.08524	5.1
133.06422	2.7
133.10170	5.2
134.99651	1.1
135.07990	3.1
135.11693	5.7
137.05876	1.1
137.08658	1.4
137.09619	16.0
140.01051	1.7
142.07701	0.9
145.06473	1.3
145.10106	9.7
147.06950	1.6
147.08057	27.8
147.11699	5.8
149.09653	5.6
151.07449	2.9
151.11150	1.4
153.09126	2.1
153.12654	2.2
155.10593	2.1
157.10121	1.7
159.11624	2.2
161.05885	2.7
161.13202	1.3
163.11198	18.3
163.14723	1.4
163.97624	1.2
165.09027	1.6
173.09557	2.3
173.13184	3.9
174.99217	6.8
175.11179	5.9
177.05312	2.0
177.09038	2.5
179.14308	8.2
181.12314	4.4
187.14874	4.7
189.05318	1.0
189.12738	1.9
191.10605	1.6
191.14268	5.0
193.12218	1.5
195.10043	1.4
205.08499	1.8
205.15816	3.2
207.06436	3.3
207.13734	2.3
211.17140	1.0
215.14409	4.6
224.16402	2.7
233.13275	1.6
233.15363	22.7
233.18845	1.2
251.08951	2.2
251.12273	6.7
251.16339	35.4
251.20047	1.8
252.12320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	(Z)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid
Peak:m/z	Relative Intensity
51.02393	0.8
53.03948	4.0
55.01859	0.7
55.05509	4.6
57.07067	0.9
57.76818	0.7
59.04999	1.7
61.77711	0.7
65.03946	0.6
67.05512	11.1
69.03426	1.6
69.07059	2.8
70.19419	3.2
71.04988	4.0
71.99895	0.6
79.05495	20.1
79.05962	1.1
81.03397	1.4
81.07063	5.7
83.04971	1.5
83.08636	1.5
91.05485	10.6
93.07040	7.7
95.04973	8.1
95.08607	16.1
97.06523	1.2
97.10163	1.1
98.20796	0.8
103.05452	0.9
105.04482	1.0
105.07032	6.6
107.04960	100.0
107.08601	2.8
109.06493	1.2
109.10162	3.1
115.04446	0.7
115.05456	0.7
117.07047	2.3
119.04951	1.3
119.08587	4.2
121.06502	3.7
121.10161	1.8
121.51257	0.7
125.75339	0.6
128.06213	0.9
129.07025	3.0
131.04938	2.6
131.08585	1.7
133.06496	6.6
133.10172	1.6
137.09587	1.6
141.06952	1.0
142.07826	0.7
143.08588	1.9
145.06502	2.0
145.10121	1.8
147.08047	3.7
149.09619	1.3
157.06468	1.2
157.10136	1.4
159.08067	1.8
161.05957	0.8
161.09641	2.2
161.13306	0.8
166.80038	0.7
171.08069	1.8
171.11729	1.4
175.07669	0.8
177.52333	0.7
185.13284	2.8
187.07443	0.8
188.08588	0.7
189.09251	0.8
193.16133	0.7
203.14363	2.6
207.13895	1.0
213.12791	1.9
221.15361	1.0
231.10182	0.8
231.13802	5.6
231.17589	0.8
249.08844	0.9
249.11145	5.9
249.14806	5.6
249.18576	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Lyratol D
Peak:m/z	Relative Intensity
51.32414	0.7
53.03934	1.4
55.01851	1.6
55.05517	5.7
56.96554	1.8
57.03421	1.2
57.07067	3.4
58.06598	3.8
59.04998	2.3
62.98534	0.7
65.03941	1.9
67.01863	6.7
67.05173	1.0
67.05508	16.6
69.03426	13.7
69.07065	5.1
69.39983	4.4
69.40401	2.4
71.04993	1.1
77.03885	1.2
77.05821	0.7
77.67618	0.8
79.05493	7.9
81.03425	1.4
81.07060	11.9
83.04989	5.6
83.08614	3.9
84.04543	1.0
84.21087	0.8
85.02892	1.7
85.06550	1.0
91.05482	21.7
91.52664	0.8
93.07046	10.1
95.04361	1.4
95.04971	28.1
95.08603	10.4
97.02902	2.3
97.06511	2.2
98.97593	2.1
103.05470	2.3
105.07042	12.3
107.04968	3.6
107.08603	10.7
109.02894	4.7
109.06531	6.0
109.10163	6.3
111.04455	4.7
111.08080	4.0
113.06014	0.8
115.05452	4.7
116.06250	5.5
116.98628	2.7
117.07031	5.7
119.04941	2.7
119.08580	31.1
120.08061	0.9
121.06503	4.1
121.10150	6.7
123.04488	1.1
123.08064	1.6
123.11758	1.0
125.09644	1.3
126.65146	0.8
128.06223	7.1
129.07010	17.8
130.07776	1.6
131.04929	1.2
131.08572	14.8
132.05685	2.1
133.06508	6.1
133.10124	7.9
134.99678	1.6
135.08041	8.4
135.11658	2.6
137.05995	2.7
137.09619	7.9
139.03896	1.0
139.07477	1.0
141.06967	6.3
142.07756	2.4
143.08580	5.7
144.05676	4.9
145.06512	4.9
145.10100	5.4
146.07231	2.4
146.48724	0.8
147.04427	2.2
147.08049	100.0
147.11696	3.8
149.09642	4.6
151.07545	1.0
151.11151	1.1
153.06969	1.7
153.09038	1.0
155.08556	2.1
156.05727	1.4
156.09395	2.0
157.06485	7.6
157.10149	2.7
158.07220	1.2
158.99626	1.4
159.04533	0.8
159.08066	19.1
159.11705	2.9
160.05168	1.6
161.05942	3.8
161.09642	10.3
161.13278	3.5
163.11156	1.0
165.09134	2.2
169.06458	1.2
169.07672	1.6
170.07303	5.2
170.10736	0.8
171.08069	6.4
171.11662	4.0
173.06001	2.2
173.09598	2.2
173.13272	1.4
174.06787	1.7
175.07555	15.5
175.11230	1.6
175.14815	2.5
177.00690	2.4
177.05453	2.0
180.09378	1.2
185.06027	1.0
185.13263	5.0
187.07564	11.6
187.11159	1.1
188.08270	1.0
189.05498	2.7
189.09160	8.3
189.10629	1.1
189.11185	1.2
189.12715	9.6
189.16347	1.6
191.07010	1.5
191.10664	1.1
193.08601	1.5
195.11607	1.1
198.06790	1.4
199.07613	1.7
203.07086	5.4
203.14302	7.6
204.07813	8.0
207.13747	2.6
213.12790	7.4
216.07832	3.2
219.10081	1.6
221.08154	1.2
221.11694	1.7
228.10063	1.4
231.06558	1.1
231.10416	3.8
231.13812	25.8
231.17488	2.4
249.11240	79.3
249.14862	21.8
249.18391	5.0
249.22145	1.8
250.11513	2.3
263.94772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01878	0.6
55.05506	1.2
55.63224	0.6
56.96553	0.7
57.03439	1.0
57.23080	0.5
59.04989	0.7
60.83597	0.5
67.05504	2.1
69.03427	1.2
69.07052	1.3
69.55811	0.6
71.04977	0.8
71.59774	0.6
71.60144	0.7
74.06100	0.8
75.56580	0.5
79.05483	1.7
81.03430	1.1
81.07040	2.0
88.07640	0.8
91.05478	6.5
93.07029	2.1
95.04965	0.7
95.08598	1.9
97.02911	1.0
97.06503	0.6
98.97565	0.8
103.05473	0.7
105.07043	4.7
107.04936	1.7
107.08623	3.5
109.06495	0.6
109.10155	1.1
111.08036	1.0
115.05450	4.5
116.06236	2.1
116.98563	0.6
117.07062	2.9
118.88797	0.6
119.08557	2.0
121.06464	1.0
121.10136	1.4
123.08028	0.5
125.09501	0.6
128.06229	7.5
129.07021	16.5
130.07756	1.1
131.04906	1.9
131.08578	14.2
132.05690	1.0
133.06511	3.0
133.10121	2.3
135.08003	1.5
137.09647	0.7
139.03874	0.7
141.06990	6.7
142.07779	2.5
143.04938	1.0
143.08571	3.7
144.05714	7.9
145.06467	5.2
145.10155	1.8
146.07277	2.5
147.04393	1.6
147.08034	1.5
150.05605	0.7
150.06862	0.6
152.06223	0.8
153.06943	1.8
153.09187	0.7
155.06038	1.3
156.05695	1.8
157.06483	9.0
158.07233	1.4
159.08066	23.2
159.11662	0.8
160.05186	1.4
161.05983	2.8
161.09619	7.1
163.07562	0.9
165.09108	0.6
167.07031	0.9
169.06451	1.6
169.07628	2.1
170.07283	7.6
171.08070	6.1
172.05199	2.5
173.05939	3.7
173.09576	1.2
174.06767	2.0
175.07539	3.2
175.14926	0.7
177.05392	1.0
178.06242	1.0
182.01347	0.6
184.05202	0.7
185.05901	0.7
185.13237	1.5
186.06755	0.7
186.18527	0.9
187.07549	14.8
188.08316	1.3
189.05469	4.1
189.09105	8.0
190.06261	0.9
191.06996	1.3
193.08665	1.3
198.06787	1.4
199.07510	2.4
201.05537	1.0
203.07007	5.2
203.14355	1.0
204.07822	9.8
205.08623	2.0
213.12827	0.9
216.07898	3.1
217.08569	0.9
218.09425	1.4
219.10199	1.5
221.11700	2.5
231.10217	5.8
231.13800	3.5
249.11243	100.0
249.14778	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	248.113
Annotation	(-)-Carbovir
Peak:m/z	Relative Intensity
55.05510	4.9
56.96563	3.4
57.03448	2.8
57.05813	6.0
57.07076	11.1
58.06605	3.7
67.05505	10.9
69.07056	9.7
70.06612	3.4
71.04985	6.1
71.58499	2.9
72.08176	3.8
73.02907	11.3
79.05491	5.0
81.07059	4.9
83.04991	10.5
83.08609	5.2
84.08148	20.1
85.06535	9.5
85.42165	1.8
86.09674	3.2
93.07069	2.9
95.04979	13.1
95.08612	5.0
97.02881	4.3
97.06553	11.1
98.97578	2.3
99.04446	3.3
99.10418	2.4
105.07025	2.3
108.08121	2.2
109.02955	2.6
111.08059	4.9
113.06015	13.1
115.07572	22.4
116.98622	3.3
121.06499	2.5
123.04431	6.9
123.08056	2.8
125.05994	3.8
138.09196	2.2
138.73276	1.7
139.07535	6.2
140.10696	2.5
141.05502	12.5
141.09093	4.3
158.11772	20.9
159.06558	9.1
163.03918	2.7
164.08382	1.9
167.07054	5.9
168.10214	3.6
169.08591	5.6
172.09708	28.4
185.08185	47.2
194.04292	2.0
202.10849	4.3
203.50598	1.8
230.10406	3.5
230.12720	2.4
231.08508	7.7
248.07031	4.2
248.11328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03933	2.7
55.01865	2.1
55.05513	10.1
56.96575	1.3
57.03427	4.0
57.07065	3.7
65.03931	1.4
67.05509	38.7
67.39278	1.0
69.03439	1.9
69.07078	8.0
71.04987	3.9
71.08624	1.1
71.59453	1.3
71.59842	1.9
79.05499	32.9
81.03420	3.4
81.07063	100.0
83.04971	2.6
83.08612	4.1
85.06557	2.2
91.05488	11.0
93.07047	19.1
95.04968	4.9
95.08617	18.8
97.06554	1.9
97.10185	1.5
99.08099	2.2
104.99238	1.2
105.07043	10.0
107.04961	1.8
107.08596	16.7
109.06528	34.4
109.10166	6.6
111.04487	1.2
111.08070	2.0
117.07033	5.1
119.08573	8.3
121.02898	1.3
121.06480	4.0
121.10144	17.3
123.08066	4.5
123.11736	8.6
125.09641	1.1
131.08578	9.3
133.10146	7.3
135.08035	3.2
135.11702	8.5
137.09570	5.1
145.10124	8.2
147.11681	6.0
149.09581	2.6
149.13251	8.9
151.11179	2.6
159.11703	5.6
161.13229	4.0
163.11255	1.6
163.14809	4.2
164.28558	1.1
165.12749	2.0
169.37682	1.1
173.13263	6.2
175.14883	2.1
177.12755	2.3
187.14836	4.2
189.16394	1.3
191.14345	2.4
201.16322	1.5
204.03352	1.8
204.53558	2.0
205.15915	1.7
205.19495	1.1
205.52899	1.6
207.03680	1.2
215.54062	1.1
216.04294	1.9
217.03662	1.9
219.67474	1.1
229.12213	1.0
229.19530	12.7
247.07794	1.3
247.13425	1.5
247.16982	7.9
247.20593	61.4
247.24615	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
53.03953	2.4
54.93897	0.7
55.01871	2.8
55.05515	10.6
56.96571	0.8
57.03442	3.4
57.07070	3.5
61.28677	0.7
65.03947	1.5
66.28777	0.7
67.05508	38.5
68.97738	0.6
69.03435	2.0
69.07075	9.7
70.84223	0.8
70.84570	1.7
71.05000	3.5
79.05498	34.0
81.03422	2.3
81.07062	100.0
82.07401	1.2
83.04978	2.5
83.08623	3.8
85.06541	2.2
91.05482	12.2
93.07051	22.8
95.04970	6.6
95.08608	21.2
97.06533	3.1
97.10175	1.5
99.08102	2.1
104.06207	0.7
105.07035	11.0
107.04967	2.1
107.08598	16.0
109.06525	33.4
109.10161	8.6
111.08101	2.1
117.07011	5.1
117.20225	0.8
119.08601	11.2
121.06501	2.4
121.10154	16.4
123.08066	5.5
123.11716	9.0
125.09618	1.5
131.08562	7.6
133.10139	8.9
135.08084	3.9
135.11682	5.5
136.92319	0.6
137.09636	4.5
137.13231	1.5
139.11226	1.1
142.44496	0.7
143.08525	0.9
145.10129	8.5
147.11728	6.8
149.09595	3.4
149.13277	10.0
151.11208	2.5
159.11667	8.5
161.13248	3.5
163.11148	3.5
163.14844	3.7
165.12723	2.0
171.11894	0.7
173.13252	5.7
175.14848	2.7
177.12752	3.3
187.14836	3.9
189.16338	1.6
191.14326	2.0
196.45738	0.7
201.16382	1.9
203.17743	0.8
204.11227	0.7
205.15891	1.4
219.17400	0.9
219.21150	1.5
229.19536	13.7
247.20583	67.7
248.21008	1.9
252.44371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03938	3.6
55.05500	4.3
65.03931	4.1
67.05500	6.7
68.95289	1.1
69.03081	1.4
69.03434	19.6
69.46327	10.2
79.05494	7.3
81.07069	8.7
83.04988	17.3
91.05494	12.7
93.03407	3.4
93.07045	12.3
95.04958	5.3
95.08611	2.7
97.02898	7.4
97.06561	1.4
98.97584	2.8
103.05455	1.0
105.07037	11.9
107.04957	1.5
107.08599	12.7
109.02885	20.9
109.06522	12.8
109.10165	3.6
111.04415	6.2
115.05471	2.3
116.98644	1.4
117.07029	9.1
119.08591	18.0
121.02856	3.5
121.06512	17.1
121.10175	6.4
123.08071	3.4
128.06223	3.2
129.06995	3.4
130.07762	1.8
131.08568	19.9
132.05693	1.9
133.06499	1.5
133.10135	11.7
135.08060	25.8
137.05997	6.9
137.09636	3.1
137.84874	1.2
139.03929	2.2
141.07031	1.7
142.07799	3.0
143.08571	11.6
144.03221	1.2
144.09372	9.1
145.06529	11.0
145.10138	11.5
147.07968	5.4
149.09642	23.3
150.10394	4.1
151.11182	3.3
153.06978	2.4
153.09146	2.3
154.07736	1.7
155.08528	4.0
157.06560	1.8
157.10190	2.7
158.07286	2.1
158.10916	13.1
159.08058	10.3
159.11705	25.8
160.08850	3.5
161.09633	4.9
161.13240	1.3
163.07561	18.8
163.11203	1.6
165.09184	1.7
168.09344	3.6
169.10118	1.8
170.10867	4.1
171.08046	7.0
172.08849	13.0
173.06082	2.4
173.09644	26.6
173.13264	40.6
175.07466	2.2
181.06581	1.7
183.11716	9.0
185.09621	2.8
185.13281	2.5
186.10406	24.6
187.11189	100.0
188.11507	1.8
189.09081	1.9
191.07043	23.0
196.08788	3.7
199.07617	2.4
201.12750	63.1
205.12248	9.2
211.11150	10.1
214.09888	2.6
215.09380	2.7
219.13771	5.6
224.10019	2.3
229.12247	64.7
237.97873	1.1
247.13315	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
53.86836	1.6
55.01868	5.0
55.05510	5.8
56.96571	3.3
57.03450	7.3
57.07064	4.6
60.05642	1.6
61.02927	11.2
65.03944	2.1
67.05505	12.7
69.03430	37.9
69.07063	10.1
70.06594	4.3
71.01363	3.0
71.04981	5.5
71.58000	2.3
71.58379	1.7
72.08152	4.4
73.02901	5.7
78.61782	1.5
79.05511	7.8
80.60460	1.3
81.03425	15.8
81.07068	8.7
83.04969	7.2
84.04500	3.2
84.08178	3.5
85.02911	69.3
85.06548	100.0
86.09714	7.9
87.04463	2.5
87.05583	1.5
88.03992	3.0
91.03938	3.9
91.05496	7.3
93.07061	8.6
95.04976	15.7
95.08586	6.8
97.02896	19.7
97.06541	8.6
97.60431	1.5
98.09686	2.2
98.97572	2.3
99.04449	10.3
101.02380	1.7
102.09181	2.0
103.03925	5.2
105.07045	7.6
107.04941	3.2
107.08580	4.1
109.02877	6.7
109.06528	9.8
110.09740	1.5
111.04462	4.3
113.06015	4.1
115.03914	3.1
115.07584	1.8
115.11464	1.7
117.07001	4.6
118.08638	2.3
119.08566	6.2
119.16026	1.3
121.02861	2.1
121.06525	8.2
123.04404	3.6
123.08056	3.6
124.07567	1.9
125.05981	4.6
126.93263	1.5
127.03936	21.3
127.07497	2.3
129.05434	1.5
129.06981	1.9
130.05011	1.6
130.09764	2.8
131.08647	1.8
132.10213	3.5
133.06473	5.0
135.08038	5.5
137.35036	1.7
138.96040	1.5
139.01869	1.8
141.10199	1.5
145.04951	15.8
145.06398	2.7
145.10104	3.2
146.99615	1.9
147.08034	6.7
151.07515	3.0
155.04967	1.4
155.30219	1.7
159.11713	3.2
161.04630	3.2
163.07568	5.1
165.00677	1.9
165.09125	2.3
166.08568	1.9
173.13271	1.8
175.07549	3.4
178.05031	3.0
184.47966	1.7
187.07547	1.7
187.10991	2.0
189.03442	2.4
189.09084	1.6
193.08572	4.4
201.12605	7.2
203.11092	2.7
206.04515	1.9
211.09573	4.3
215.04332	1.8
217.02855	1.9
219.07851	2.3
229.06165	2.4
229.08487	2.1
229.10431	2.0
229.12447	4.9
245.73944	1.7
247.05867	8.4
247.13437	7.6
247.16530	2.3
247.20502	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.129
Annotation	H-Glu(Val-OH)-OH
Peak:m/z	Relative Intensity
55.05517	5.7
56.05038	1.9
56.96571	2.1
57.03439	0.7
58.25142	0.6
59.66751	0.6
67.05508	1.2
69.03428	1.7
69.07070	1.3
69.66460	4.5
70.06593	2.7
72.08160	100.0
73.02917	0.8
79.05487	1.0
79.34370	0.6
81.03411	1.0
81.07063	1.3
84.04509	62.8
84.08144	3.2
85.02916	3.4
85.06568	1.4
86.09724	1.3
91.05505	0.7
93.07035	1.1
95.04925	1.2
95.08674	1.1
97.02893	1.6
98.97588	1.5
99.04459	1.2
101.05986	0.9
102.05538	1.8
105.07071	1.5
107.04955	1.1
107.08591	1.4
111.04472	0.6
114.05482	0.8
115.03911	0.9
116.07102	0.7
116.98663	1.5
116.99487	0.6
117.07060	1.0
118.08664	57.7
119.08538	1.1
123.04417	0.7
127.03919	1.2
130.05013	13.3
130.08649	1.0
131.08559	0.6
132.10199	0.9
134.99669	1.3
138.09119	1.5
139.01793	0.8
145.06483	1.3
145.10098	1.2
147.11729	0.8
148.06033	0.7
156.10240	5.3
159.08058	1.1
162.12033	0.7
173.05981	0.8
173.13226	0.8
174.06313	1.0
177.09052	0.7
183.11417	0.6
184.08156	1.1
184.09715	19.4
184.11328	1.2
187.14713	1.1
189.03407	0.7
201.12636	1.7
201.16229	0.7
202.05923	0.7
203.11089	2.3
205.12096	0.6
229.12137	3.1
230.10226	11.1
232.03534	0.9
247.04044	1.4
247.06152	2.9
247.09917	1.1
247.12952	24.5
247.16679	1.3
247.20537	1.3
265.05078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00225	0.6
70.06580	0.7
71.92435	0.5
80.35631	0.5
84.08132	1.0
106.37158	0.5
119.01935	0.7
140.21202	0.6
146.36525	0.6
167.03181	1.1
170.81993	0.5
187.02187	0.9
229.03201	24.7
247.04272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12313	2.3
53.96614	3.0
55.05508	11.1
57.07067	5.3
57.48407	2.3
61.46536	2.5
67.05501	9.7
69.07062	12.2
69.38885	13.9
69.39304	10.2
79.05495	6.4
81.07060	19.3
83.04973	2.5
83.08602	6.4
91.05471	6.9
93.07059	13.9
95.08612	30.3
97.10172	5.1
105.07025	18.4
107.08589	24.0
109.10165	18.8
110.53575	2.7
113.03456	4.0
119.08576	17.7
121.10151	15.0
123.11719	11.1
131.08582	3.2
133.10121	13.2
135.11671	11.8
137.13243	4.8
147.11699	12.3
149.13252	10.1
161.13281	10.8
163.14832	19.4
175.14813	16.4
189.16405	19.2
203.17934	8.6
245.11758	3.8
245.22670	100.0
259.84912	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
56.05030	0.6
56.96564	1.6
57.03438	0.8
58.06589	0.5
60.01682	0.4
60.05651	4.6
61.02920	0.8
69.03417	1.1
69.92171	2.9
70.06596	9.0
71.04984	1.8
72.08157	14.1
73.02905	0.5
81.03400	0.9
81.07053	0.6
82.06585	1.0
83.04977	0.6
83.06039	0.5
84.04510	9.6
84.08147	6.6
85.02911	3.3
85.08463	0.6
86.09709	2.1
88.04001	0.5
95.04907	0.6
97.02875	1.4
97.07635	0.5
98.06071	1.0
98.97577	1.6
98.98465	0.9
99.04440	0.6
100.07627	1.8
101.07943	0.6
105.07046	0.6
112.08749	2.0
113.07129	0.6
114.09142	0.6
114.10278	1.4
116.07085	1.6
116.98611	0.8
117.10297	0.5
118.08665	14.8
119.01936	1.1
121.01665	1.5
127.03928	0.9
128.07088	2.1
129.10234	0.9
130.04980	1.5
130.08676	1.3
130.09770	6.1
131.02028	0.5
134.99666	0.7
136.03929	0.6
137.02892	0.6
142.08661	9.1
144.06596	1.6
144.10201	0.9
150.34943	0.5
156.10217	0.5
158.09291	1.5
163.02805	0.8
167.03220	1.1
175.11885	1.5
183.11459	0.6
184.09579	1.0
187.02502	0.8
188.09190	1.9
201.00705	1.0
201.12477	0.6
203.11354	2.3
212.07651	0.9
220.06084	0.7
223.01341	1.3
229.03198	20.6
229.11996	0.8
230.11490	0.8
235.01012	0.5
247.04288	100.0
247.07922	29.0
247.14189	13.8
247.18190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0809
Annotation	2,6-Dihydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
51.93328	0.4
53.00322	0.5
53.03948	0.6
55.05502	0.7
56.96572	1.2
57.07084	2.3
63.13314	0.4
65.03946	4.7
67.05507	1.3
68.99854	0.5
69.03417	0.6
69.07069	1.5
71.01365	1.3
71.58163	0.5
71.58604	0.8
79.05503	1.7
81.03418	0.8
81.07083	2.3
82.09198	0.5
83.04964	0.7
85.02914	0.6
85.69243	0.5
90.94810	0.6
91.05488	90.4
92.05829	2.3
93.03417	1.8
93.07042	1.7
95.08613	1.7
97.06540	1.5
97.07150	0.4
98.06898	0.9
98.97606	1.4
105.07146	0.6
107.08587	1.4
109.10177	1.6
111.04477	0.5
113.03455	0.5
116.98618	0.9
121.02875	13.6
121.10146	1.4
125.02326	0.5
128.06200	0.6
131.08533	0.6
133.10114	0.7
135.11720	1.3
142.03194	1.0
147.11562	0.6
149.02325	2.7
149.13271	0.9
151.03906	0.7
152.06166	1.0
153.06990	2.3
163.03836	0.6
167.03410	100.0
168.03766	1.0
171.11862	0.5
177.00694	0.5
181.06465	0.6
185.03827	1.2
196.54713	0.6
201.00632	0.6
213.00626	0.7
227.07043	35.8
228.07419	0.6
245.04352	1.1
245.08089	6.3
245.10020	0.5
245.11882	0.6
245.22679	3.2
249.03081	0.5
267.04074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0809
Annotation	2,6-Dihydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
55.01877	1.8
55.05515	4.9
56.09401	1.1
56.96581	5.9
57.07100	1.6
58.80411	1.0
65.03940	5.0
67.05511	6.9
69.03443	2.3
69.07082	6.1
70.06604	1.8
70.07424	1.4
71.01361	2.3
71.59789	2.1
74.26390	1.2
79.05505	5.0
81.03439	2.7
81.07060	9.0
83.04996	2.7
83.08620	2.6
85.02907	1.4
91.05492	100.0
92.05852	2.8
93.03388	1.5
93.07053	4.4
95.08609	8.3
97.02895	1.7
97.06534	4.6
97.10173	1.9
98.06885	2.2
98.97620	2.3
105.07047	5.7
107.00291	1.2
107.08621	5.8
109.06556	2.0
109.10167	5.2
110.62486	1.2
116.98585	1.5
119.01864	1.6
119.08585	4.3
121.02881	10.9
121.10142	4.7
123.11701	1.6
128.06190	2.0
129.07053	2.4
131.08575	2.2
133.10127	2.4
134.99681	2.2
135.11693	5.0
142.03256	3.7
142.07825	1.3
143.08609	2.1
145.10129	2.5
147.11681	1.7
149.01196	3.3
149.02353	1.9
149.13315	3.8
153.06987	2.2
157.10114	2.5
159.11728	1.5
167.03424	92.7
168.03798	1.4
174.00858	1.6
175.14832	1.7
177.00731	1.8
183.01399	1.5
185.13284	2.6
219.01907	1.2
227.07027	29.0
227.10628	2.1
227.14380	2.2
245.04625	2.9
245.08162	15.3
245.12006	3.1
245.15462	3.3
245.22740	10.7
255.02859	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	244.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05506	3.2
55.97535	1.3
56.96568	3.1
57.03431	2.9
57.07070	3.2
60.93280	1.5
61.99908	1.6
62.78587	1.3
63.55909	1.3
64.62648	1.5
67.05510	9.2
69.07071	56.0
70.06597	10.9
70.64850	4.4
70.65206	2.3
71.08635	1.7
79.05498	27.8
79.52187	1.4
81.07075	7.9
84.08147	1.9
88.07669	2.2
91.05499	2.5
92.05007	1.8
93.07071	2.2
95.04951	4.6
95.08619	3.6
97.06538	100.0
98.97585	4.9
108.08885	1.5
116.98623	3.6
120.04454	4.7
121.10204	1.7
128.02307	2.9
132.10223	2.9
136.36285	1.6
146.11789	6.0
148.03937	31.5
158.99699	1.7
161.01247	1.7
177.00751	2.7
208.76192	1.6
244.09859	4.7
244.22789	52.1
251.22736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59858	1.7
54.64075	2.1
55.01870	3.6
55.05507	5.9
56.05037	5.0
56.96566	27.0
57.03433	5.0
58.06593	4.0
60.05354	2.4
60.05650	23.2
60.08168	4.9
61.02919	6.1
65.03937	1.9
67.05501	4.7
68.04389	1.8
68.05008	5.7
69.03419	12.2
69.07056	3.5
69.83242	2.9
69.83652	10.5
70.02963	2.6
70.06596	70.4
71.04991	31.8
72.08157	17.4
73.02901	5.9
73.36102	1.9
74.02440	2.9
74.97604	2.3
79.05492	2.4
81.03401	7.3
81.07040	6.2
82.06577	4.9
83.04973	3.7
83.06115	2.1
84.04504	19.8
84.08143	96.3
84.96030	3.6
85.02895	20.4
85.06528	4.9
86.06060	9.1
86.09699	16.4
87.04469	5.6
87.07966	5.7
88.07621	6.3
89.47057	2.0
90.94828	2.5
91.05488	2.4
93.07063	3.6
95.04983	2.4
96.04513	2.8
96.08132	3.5
97.02905	11.0
97.07656	2.5
98.06078	4.6
98.09689	6.0
98.97574	16.7
99.04449	3.9
100.07616	2.3
101.00894	6.0
102.05556	4.2
105.00362	2.2
107.05013	2.9
107.08622	2.7
109.02896	5.7
110.09669	3.3
111.04444	2.5
111.05539	2.8
112.08730	5.5
112.11252	3.6
113.03511	9.0
114.05518	8.8
114.10291	10.6
115.03918	2.9
115.08702	3.2
116.07085	7.5
116.98640	18.7
118.01151	2.1
119.01933	38.6
123.04408	4.6
125.07113	4.8
126.05553	2.5
127.02535	2.4
127.03940	5.8
128.07112	3.3
128.98630	2.4
129.10207	4.3
130.05032	18.2
130.08653	23.1
130.09760	100.0
131.01906	14.0
132.06528	3.3
133.03494	3.9
134.99667	15.1
135.11659	2.2
137.02974	10.0
137.05984	3.1
138.09108	4.0
138.12894	2.1
140.07062	3.3
140.10712	16.1
140.14360	8.0
142.03268	7.2
142.05002	7.4
142.12267	8.4
142.96510	2.6
143.00099	2.9
143.01889	9.6
145.03499	14.0
145.04846	2.7
146.99689	4.6
149.01160	3.4
149.02956	3.8
153.00781	4.2
154.04817	2.9
155.01903	9.8
155.08232	2.5
156.02675	6.4
156.13800	2.8
157.03496	9.8
158.08101	3.4
160.04736	3.0
161.01587	3.7
161.02972	23.4
162.99214	3.7
163.04536	4.7
165.00681	5.1
168.06598	2.4
169.05190	2.7
173.02994	19.7
173.05988	3.3
175.04462	2.9
175.11909	8.7
177.00716	8.6
177.15256	2.1
183.14998	2.4
184.09709	21.1
184.13358	5.9
185.02937	13.5
185.13280	2.0
186.11404	3.7
187.04460	2.7
188.97078	4.6
189.00674	3.2
190.05777	4.2
193.00175	4.3
197.02954	8.5
198.99066	2.1
199.04343	3.4
199.06157	7.2
199.11153	3.4
199.14442	2.9
201.12335	25.3
201.15961	51.3
203.02316	3.0
203.03975	13.2
206.98178	5.4
207.01768	3.6
217.05434	3.8
221.05070	27.6
227.03976	2.2
227.10411	3.8
227.13925	2.1
227.17674	4.8
228.03442	2.2
235.06642	5.8
237.02820	2.6
240.01968	3.1
245.05038	78.3
245.12381	79.7
245.15109	44.8
245.18704	6.9
245.22598	4.9
246.05269	2.5
253.07753	4.9
263.06195	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	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28806	0.2
53.68497	0.2
56.00489	0.2
56.96552	0.6
58.99867	0.4
69.03419	0.6
69.48952	1.0
69.49381	0.8
77.00916	0.3
81.03393	0.4
82.99838	0.4
87.69018	0.2
97.02905	1.1
97.90417	0.2
98.20651	0.3
98.97579	0.7
99.04412	0.3
101.00877	2.9
101.55844	0.2
102.96857	0.4
103.00655	0.5
103.02441	0.3
105.00355	0.5
113.00890	0.4
115.02414	0.5
116.98626	0.7
118.03474	0.2
119.01926	20.0
120.02019	2.2
120.97908	1.0
121.01669	5.6
121.02353	0.2
123.01451	0.3
124.92892	0.2
125.98534	0.2
127.03924	0.6
129.03951	0.3
131.01906	2.7
131.05493	0.3
133.03506	1.0
134.99663	0.9
136.99617	0.6
137.02957	7.9
138.03023	1.4
138.98920	0.9
139.02684	2.3
142.03482	1.3
143.01898	4.3
143.03619	0.3
144.03177	0.3
145.03461	2.4
147.01387	0.8
147.04973	0.4
149.02954	0.9
149.06609	0.6
151.04420	0.2
155.00677	0.6
155.01915	1.5
157.03485	4.4
159.05043	0.2
160.04532	0.5
160.99640	0.8
161.02963	21.6
162.03059	0.8
163.04546	0.7
167.01833	0.3
169.03442	0.3
171.05069	0.2
171.47809	0.2
173.02983	3.7
175.03021	0.2
175.04536	3.9
175.08206	0.2
177.00911	1.1
177.02420	0.3
177.09811	0.3
178.01106	1.3
178.05688	0.3
179.00705	21.3
179.03957	2.0
180.00812	0.9
180.04121	0.6
184.04570	1.6
184.99655	0.6
185.02971	5.2
187.04536	1.9
189.06027	0.3
191.04044	1.6
195.03812	0.4
197.03104	1.7
198.06099	0.2
199.00793	0.5
199.04485	1.5
201.02818	0.2
202.02371	0.6
203.00943	1.1
203.02319	0.4
203.03979	5.7
203.05704	0.4
203.11290	0.3
205.05573	0.3
208.04427	0.4
215.03946	1.6
217.01817	0.6
217.05563	1.0
219.01949	0.5
219.03827	3.4
220.02010	1.1
221.01785	25.4
221.04817	1.3
222.01900	1.9
222.05934	0.2
226.05673	0.4
227.00603	2.2
227.04039	0.8
233.05019	1.1
244.03401	1.0
245.01860	6.7
245.05063	14.6
245.12303	2.1
261.03113	0.7
263.02875	100.0
264.03046	2.6
265.03250	0.5
268.03415	0.8
268.06564	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	244.097
Annotation	Isotaifine
Peak:m/z	Relative Intensity
53.00314	1.0
53.03947	0.7
55.01884	5.1
55.05521	1.6
57.03440	1.0
64.57008	0.7
65.03945	0.7
67.05516	4.1
69.03436	1.1
69.07071	100.0
69.37539	6.9
79.05490	7.1
81.03422	0.8
81.07063	4.9
84.08128	0.7
91.05517	1.2
95.05013	0.8
95.08605	3.2
97.06537	34.2
98.97610	1.6
99.04414	0.7
116.98594	0.9
134.99692	0.7
137.13287	1.7
142.03224	0.8
148.03929	8.4
148.04965	0.9
151.68755	0.7
161.01285	0.8
163.03888	1.1
175.03957	1.1
176.03430	5.5
185.04750	1.4
188.99048	0.8
199.01204	0.7
202.04997	19.9
244.09689	16.4
244.17493	0.8
244.21272	0.7
249.02853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	(+)-Butalactin
Peak:m/z	Relative Intensity
53.03914	3.9
55.01858	10.7
55.05507	32.9
56.74371	3.1
56.96579	4.1
57.03442	26.4
57.07074	6.2
59.04987	5.1
65.03930	5.1
65.61865	4.1
67.05511	20.0
69.03429	65.4
69.07063	6.6
70.06585	10.4
70.11195	18.5
71.01341	14.4
71.04978	11.8
72.08131	4.3
73.02917	6.6
79.05491	13.3
81.03413	14.9
81.07057	30.0
83.04985	100.0
83.08598	8.0
85.02898	37.0
85.06516	5.0
87.04457	7.7
91.05481	11.0
93.07043	9.0
95.04951	16.2
95.08594	13.4
97.02893	60.0
97.06514	14.9
98.97574	5.1
99.04446	12.4
101.06010	7.2
105.07018	11.1
107.04937	6.7
107.08610	5.6
109.02899	5.8
109.06495	13.8
109.10163	12.4
111.04447	64.2
111.08057	5.5
113.02354	5.9
113.05979	5.7
113.48981	3.9
115.03928	15.7
116.98607	6.7
119.08525	8.6
121.02859	4.1
121.10143	5.5
123.04397	9.4
123.08068	5.4
123.11675	4.4
129.05446	9.1
131.08572	7.4
133.10115	9.2
135.04443	9.1
135.11742	3.7
137.02409	3.7
137.05988	8.7
137.09657	4.2
139.03893	7.5
140.04715	4.7
143.03423	3.9
143.08475	3.9
145.10121	4.2
149.06053	5.6
151.07498	4.8
153.05472	6.7
155.07089	6.0
157.04939	9.3
159.11664	8.9
161.06032	6.1
165.05521	3.6
167.07101	4.3
169.05028	5.6
169.06512	5.3
173.09692	4.1
173.13196	6.3
181.04927	4.0
183.06537	8.8
183.08023	4.4
185.04456	28.9
187.14854	9.3
215.07011	7.7
216.14220	7.7
216.16119	4.2
223.08969	7.3
225.07556	14.3
243.00842	5.0
243.06425	7.4
243.08644	22.1
243.13864	6.4
243.15767	5.8
243.21069	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	243.1594
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
53.03949	4.6
55.01870	6.1
55.05511	25.9
56.96569	3.9
57.03429	3.8
57.05564	2.2
57.07050	3.6
58.63552	2.2
59.05009	17.6
61.02911	3.9
67.05169	3.6
67.05506	47.3
69.03434	4.5
69.07072	16.4
69.39916	20.6
70.06593	3.4
71.04999	38.2
78.16486	2.1
79.05495	44.5
81.03422	25.4
81.07057	68.7
83.04996	12.8
83.08627	10.7
85.02900	4.4
85.06535	5.2
87.04453	6.9
91.05484	53.3
93.07042	33.6
95.04962	15.0
95.08613	31.7
97.06525	17.0
97.10223	3.6
98.97608	4.6
99.04444	2.6
99.08108	3.0
101.05997	3.2
105.07047	37.2
107.04965	5.5
107.08599	33.0
109.02881	2.4
109.06509	10.3
109.10178	10.4
111.04457	2.1
111.08088	10.4
113.05984	5.3
115.05438	2.6
116.98619	2.7
117.07037	3.5
119.08582	32.2
121.10150	29.5
123.08086	8.9
123.11716	8.6
129.07013	12.4
131.08594	29.0
133.10127	37.5
135.11668	3.0
137.09651	4.6
142.07773	2.9
145.10126	7.7
147.08092	5.5
147.11690	47.7
149.09622	33.7
149.13235	3.6
151.07570	2.4
151.11208	4.2
155.07045	2.8
156.03568	2.4
157.10118	22.0
159.11708	6.6
165.12791	4.1
167.10709	9.7
173.13301	5.9
175.11166	25.5
177.00702	2.8
179.07233	2.0
179.14285	2.6
187.07480	2.5
187.14856	5.8
193.12253	38.8
197.15387	25.2
199.13342	7.1
211.13318	23.5
225.14851	100.0
226.17891	2.7
243.06529	5.3
243.10196	6.6
243.13841	3.7
243.15811	6.3
243.21202	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	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64637	1.0
53.03953	3.1
55.01873	7.8
55.05503	3.4
56.05026	2.3
56.96568	34.2
57.03192	1.2
57.03441	18.2
58.06602	10.7
59.04992	3.7
59.06934	3.5
60.04517	1.4
61.02929	32.2
67.05501	2.2
69.03075	2.3
69.03434	44.5
69.07043	1.2
70.03767	1.5
70.06596	12.8
70.98146	7.7
71.01333	2.3
71.04992	7.2
71.33895	2.8
72.08147	2.1
73.02555	1.7
73.02921	21.4
74.00195	1.3
74.06081	2.2
74.97604	4.3
75.04467	2.2
81.03423	20.1
82.03751	1.2
82.06566	1.5
83.00792	3.0
83.01324	2.4
83.05006	2.3
84.04510	3.4
84.08152	7.7
84.96018	3.7
85.02908	80.7
85.06530	1.5
85.08473	2.6
86.03233	2.3
86.06046	1.3
87.04474	14.1
88.99170	9.1
89.02377	1.9
89.95135	1.1
90.01546	3.0
91.03969	7.2
92.01308	2.4
93.04482	1.3
94.06595	1.8
95.01357	1.3
95.06091	14.0
96.04486	1.2
96.26413	1.2
97.02289	2.5
97.02896	45.4
98.01293	1.5
98.03176	1.8
98.06072	2.5
98.09676	2.3
98.97585	27.9
99.04462	10.1
101.00841	2.2
101.02367	4.1
102.01521	1.2
102.02383	1.3
103.02378	1.2
103.03925	1.4
104.01269	5.1
106.01057	1.5
107.00169	3.1
107.04970	1.5
109.02901	8.7
110.01282	6.6
110.06036	1.4
110.07167	19.8
110.97571	4.2
111.02071	1.6
112.99145	15.5
113.01804	5.5
115.02370	1.4
115.03947	8.4
116.07090	2.6
116.98631	19.1
117.01994	5.5
117.03982	1.3
118.01043	1.2
118.51405	1.4
119.01869	16.2
119.03535	2.6
121.01569	1.4
122.02331	4.3
122.06052	2.7
125.01817	1.9
126.02618	1.8
126.05543	1.5
127.01541	1.4
127.03924	22.7
127.40102	1.2
128.02287	7.2
128.10690	2.6
128.52731	1.3
128.98610	12.3
129.01915	2.9
129.03987	1.4
129.11053	2.2
131.00177	24.1
131.01768	6.7
131.96159	2.3
132.00638	2.4
132.02597	2.0
132.03520	1.5
133.01677	4.5
133.03468	8.1
133.04982	3.0
134.02286	2.3
134.03384	1.5
134.06009	3.3
134.99672	8.1
136.05074	17.9
136.07552	2.2
137.02335	16.8
138.05565	2.4
138.06633	5.6
138.09132	1.5
139.01524	1.3
139.03329	1.9
139.09500	2.0
140.02315	9.8
140.04976	1.3
141.01277	1.8
141.03064	3.3
142.02069	1.9
143.00179	4.1
143.03407	3.8
145.01656	2.7
145.03830	2.2
145.04967	17.8
146.02321	14.8
146.03418	2.0
146.99669	23.5
147.03149	5.5
147.05061	3.3
148.02069	2.2
148.03859	28.2
148.54031	2.9
149.01233	16.3
149.02834	4.9
150.01759	2.1
150.05479	1.7
150.09102	3.0
151.02773	3.0
152.07095	9.0
152.42305	1.4
153.05771	4.8
153.07602	2.0
154.02003	1.6
155.02829	12.7
155.04613	1.9
156.03581	2.5
156.07677	5.2
157.01382	4.1
157.02548	3.0
157.04437	14.5
157.54498	1.5
158.01236	1.5
158.99623	6.3
159.05022	2.8
161.01221	13.0
161.02878	3.9
161.04535	6.1
161.05704	8.8
161.55643	2.2
162.03572	1.7
162.06410	3.3
163.02740	5.4
163.04347	2.7
163.06020	4.4
165.00740	20.4
167.02890	1.9
167.05133	2.1
167.54457	1.5
169.04398	3.5
170.03409	3.9
170.05060	23.0
170.55295	2.1
170.99692	1.8
173.01317	2.1
173.02928	3.0
175.02771	3.3
175.04387	1.3
176.03387	47.6
176.05670	1.9
176.53551	5.5
177.00897	6.0
177.02138	1.8
177.04262	8.2
177.05801	1.4
178.04936	5.1
178.06303	1.2
178.08578	2.7
179.02299	4.8
179.03740	1.8
181.55991	3.7
183.01923	1.5
183.52182	1.8
185.03928	33.0
185.54086	5.2
185.97079	2.0
187.04555	1.9
189.00710	11.5
189.03983	14.4
190.98761	2.0
191.02246	4.1
191.03989	3.1
193.00221	2.3
193.03851	1.9
195.07104	1.6
196.07234	11.0
196.09621	27.4
196.54718	6.2
197.10060	3.1
198.04733	2.2
198.08830	1.4
201.00766	3.0
201.02586	1.7
203.02274	18.1
203.04037	2.3
205.00191	1.7
207.01787	16.3
207.04944	1.9
212.04401	4.7
219.01738	7.0
221.03316	19.9
221.05104	1.3
224.10365	3.4
225.02777	8.7
233.03093	1.9
233.05037	2.6
237.02818	10.1
242.05450	20.0
242.07639	11.7
242.10332	31.8
242.15794	100.0
242.55592	1.9
249.02696	2.5
259.06659	1.7
261.02780	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	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
53.03951	0.3
53.75810	0.2
54.25637	0.2
54.59971	0.2
55.01860	0.3
55.05503	0.5
56.96564	0.5
57.03437	0.6
57.07073	0.3
58.06604	14.2
61.02912	0.8
67.05515	0.4
69.03423	0.8
69.07064	0.4
70.06599	3.5
71.01361	0.2
71.04967	0.7
71.20858	0.3
72.08150	0.6
73.02913	0.6
74.50600	0.2
74.84280	0.2
75.16626	0.2
76.75129	0.2
79.05460	0.2
81.03410	0.7
81.07055	0.3
82.06563	0.3
82.22808	0.2
83.04969	0.4
83.08646	0.2
84.04513	0.6
84.08145	8.4
85.02927	1.6
85.06532	0.8
86.06065	0.3
87.04478	0.3
93.03719	0.8
93.07023	0.4
94.69316	0.2
95.04979	0.4
95.06088	0.2
95.08589	0.3
96.00569	0.2
96.04487	1.0
97.02907	1.3
97.10181	0.3
97.49496	0.2
98.06091	0.3
98.09698	1.2
98.97581	0.5
99.04494	0.3
100.11274	0.2
101.02339	0.3
103.03954	0.2
107.08614	0.4
110.06070	0.3
110.07175	0.5
111.04462	0.2
112.07610	0.2
112.96739	0.3
113.06026	0.2
115.03934	0.4
116.07101	1.1
116.10723	0.2
116.98640	0.5
119.01883	0.5
121.06490	0.4
124.07586	0.4
126.05512	0.4
126.09047	0.2
127.03916	0.4
128.10722	3.6
128.38951	0.2
130.04999	0.3
130.08629	0.2
130.97707	0.2
131.03384	0.4
134.06030	1.7
134.99654	0.8
135.11635	0.2
136.05116	0.2
137.02391	0.3
138.02664	0.3
138.09117	1.0
143.03445	0.2
144.03606	0.6
144.10225	1.0
145.04968	0.3
150.09096	0.3
152.07092	3.0
157.01349	0.4
157.97403	0.2
161.01180	0.2
164.07210	0.2
165.02261	0.2
167.07043	0.4
168.10197	0.9
168.95659	0.2
169.09776	0.4
170.99593	0.2
174.98529	0.3
175.95056	0.3
177.00745	0.3
177.05762	0.4
181.04892	0.3
181.08418	0.3
181.29260	0.2
182.05334	0.6
182.08179	0.4
189.03943	1.2
195.01765	0.2
195.11345	0.3
196.07507	0.3
196.09715	5.6
197.09242	0.2
197.13960	0.5
198.98503	0.5
207.05009	0.2
213.16019	0.4
216.99712	0.4
223.06091	0.2
224.09109	0.4
226.96114	0.3
235.06529	0.2
237.02888	0.3
241.15479	100.0
242.07877	0.4
242.10023	1.5
242.15793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83342	5.5
55.05520	24.2
55.05738	6.2
56.96547	7.9
62.34347	5.6
67.05502	76.4
67.64375	5.5
69.07063	31.3
70.06594	7.2
70.61862	18.1
71.04974	6.2
72.04514	11.4
76.36060	5.2
79.05486	44.6
79.59287	4.7
80.05857	5.0
81.07057	100.0
82.07388	9.5
83.04991	15.4
83.08620	17.1
91.05471	25.8
93.07046	66.3
95.04957	12.2
95.08624	24.3
96.08967	5.8
97.06529	13.7
98.97575	5.5
105.07018	12.7
107.08606	43.1
109.10195	7.3
116.98617	5.1
117.07028	8.8
121.10152	14.2
123.11720	16.2
131.08580	13.2
133.10136	20.7
134.09634	6.2
134.99608	6.1
135.11720	19.6
142.13901	5.0
149.13260	55.0
159.11707	29.1
177.12720	12.7
187.11404	6.3
194.48672	6.3
195.13802	59.2
204.13803	10.5
222.14890	6.7
240.06662	12.6
240.09372	5.4
240.16026	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	240.1597
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01875	7.5
55.05515	4.4
56.96568	3.0
67.05502	4.3
68.05033	2.1
68.05788	1.1
69.03420	2.9
69.07076	11.9
70.06593	18.1
70.07406	1.0
71.05000	14.2
71.59887	1.7
79.05492	5.5
81.07069	7.3
83.04990	2.3
83.08628	1.7
84.02123	1.9
84.04546	1.7
86.06074	2.6
91.05470	2.5
93.07053	3.5
94.06583	1.7
95.08614	4.2
96.04495	2.1
96.08141	14.7
97.05246	1.8
97.06572	1.7
98.09701	7.3
98.97601	6.8
100.11265	5.2
103.17857	1.1
105.07018	3.5
106.06554	4.2
107.08607	4.2
108.08132	3.5
109.10155	2.9
110.06072	1.4
116.95131	1.1
116.98636	5.3
119.08591	2.5
120.08062	1.3
121.10146	1.8
122.06044	6.7
124.07602	52.3
125.08438	2.7
125.09637	1.6
125.69573	1.1
134.99672	4.1
135.11732	1.3
138.07652	1.2
140.07053	7.5
141.11598	1.4
145.10162	1.3
150.12814	4.9
152.10703	2.1
153.00743	1.4
153.07872	8.2
154.12318	1.5
158.15437	1.3
158.99689	2.4
176.14371	2.0
177.00757	3.2
182.15401	1.4
194.15387	6.9
204.13913	6.5
209.16502	1.3
217.05042	1.2
222.14911	100.0
239.69040	1.3
240.06645	2.8
240.09166	1.6
240.15939	6.1
240.19678	1.6
241.08755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
55.05518	8.0
56.96563	2.6
57.03432	2.1
57.93088	1.3
65.03949	1.3
67.01861	1.5
67.05506	4.5
68.79311	1.0
68.99786	1.8
69.03442	3.2
69.06717	0.9
69.07066	23.3
69.60889	8.8
70.06596	7.0
71.04987	2.0
72.05041	1.2
72.08160	4.5
73.02916	2.8
73.06549	4.9
79.05509	7.3
81.07057	9.5
83.04987	3.1
83.08631	3.3
84.30637	1.2
85.02917	4.3
85.06526	1.8
87.07978	1.2
91.05497	4.3
93.03720	4.1
93.07040	4.9
95.04974	3.1
95.08613	4.2
97.02892	3.7
97.06532	6.7
97.07656	3.0
97.10163	2.8
98.09712	1.7
98.21464	1.7
98.97585	3.7
99.04471	3.0
105.03434	1.6
105.07024	1.4
107.04972	5.0
107.08607	4.9
108.08116	2.2
109.02895	2.3
109.06546	1.8
109.10166	3.9
111.08080	1.9
112.08769	1.8
114.10311	5.1
114.82478	1.1
115.07565	12.2
116.98653	3.4
119.07164	2.1
119.08611	2.2
121.02901	4.5
121.10177	3.3
123.04463	1.4
123.08042	2.2
125.09631	2.5
125.59329	2.1
127.03920	33.1
131.08594	1.3
133.06604	1.0
134.99664	3.8
135.04446	2.4
135.11678	2.1
139.03922	9.1
139.07544	2.0
143.08575	1.4
145.10132	2.5
149.02336	2.4
149.06001	1.5
149.09682	1.6
151.11246	1.3
153.01833	100.0
154.06262	5.7
159.11740	1.1
163.03906	6.2
165.05556	2.1
166.82083	1.0
167.07086	4.6
169.08614	3.3
169.53394	1.3
171.02852	6.0
171.11717	1.2
174.14420	2.2
175.11948	1.5
177.00609	1.9
177.05424	1.6
177.09166	1.1
181.04993	5.1
181.08650	1.8
188.14136	5.6
195.06601	5.1
195.10159	1.2
196.13890	1.1
205.08554	1.9
205.12334	1.3
209.04521	4.2
210.13651	8.2
221.05727	2.2
222.57500	1.1
223.06123	4.3
223.09645	21.5
223.13190	2.3
226.06224	1.3
232.15002	1.5
234.18523	1.1
240.63467	5.7
240.78268	1.4
241.04976	2.6
241.08673	1.8
241.10591	1.7
241.14105	2.6
241.19696	3.9
241.21867	1.4
241.56888	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.05513	0.5
56.93465	0.4
56.96584	1.4
57.03455	0.5
57.07084	0.5
60.04534	0.6
65.03968	0.5
67.05536	0.7
68.05070	0.5
69.03452	0.7
70.06614	1.2
70.25523	1.2
71.01377	0.5
71.05019	0.8
73.02913	0.5
79.05530	0.5
81.03432	1.0
81.07091	0.8
84.08168	1.0
85.02933	1.4
95.06093	0.7
96.24991	0.5
97.02913	1.4
98.20825	0.7
98.97613	0.8
99.04458	0.6
105.07074	0.5
110.05996	0.7
110.07173	0.7
116.98630	1.5
123.06851	0.6
125.07137	0.6
127.03944	0.8
129.10234	0.6
134.06046	0.5
134.99673	1.4
137.02350	42.5
145.05032	0.6
148.07573	0.7
150.05472	0.8
150.96942	0.5
151.02116	0.7
152.07074	0.7
153.00781	0.5
162.05519	0.7
181.04968	100.0
182.05315	1.3
194.04517	0.6
194.08179	1.5
199.03807	0.7
215.93626	0.6
216.99887	0.6
233.36494	0.5
240.06537	2.5
240.08713	2.2
240.12294	15.7
241.11995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03955	1.2
55.05513	18.4
57.07079	100.0
65.03956	1.4
67.05507	40.2
69.07070	21.3
69.07455	0.8
71.04992	1.6
71.08634	66.2
72.04513	3.0
72.53229	0.7
78.29403	0.6
79.05494	3.8
81.07061	42.7
83.08620	22.3
83.09116	1.2
85.06554	2.8
85.10185	33.4
88.02238	1.6
89.06068	1.5
91.05491	0.9
92.67341	0.6
93.07069	2.5
95.08611	63.1
97.10173	11.2
98.21538	0.9
99.08083	1.5
99.11736	1.3
105.07044	0.7
107.08643	0.9
109.10161	22.5
111.04463	0.8
111.11757	1.8
119.08645	0.8
123.11717	9.2
123.12567	0.8
137.13304	2.1
150.63849	0.6
151.14890	1.1
155.08562	0.7
157.10167	1.1
182.06487	0.8
183.11710	1.2
197.13362	1.5
221.11815	0.8
229.23895	0.6
239.08891	3.1
239.12776	1.2
239.18130	4.0
239.23836	2.1
240.06755	0.8
249.18066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01870	6.6
55.05508	32.0
57.07063	9.0
59.04998	8.2
67.05510	31.6
67.05843	5.2
68.05035	7.5
69.03439	5.4
69.07075	28.4
70.00641	8.3
70.01043	7.0
70.06600	4.1
71.04977	9.7
78.78579	3.1
79.05489	31.2
80.05018	40.5
81.07059	52.7
82.06580	20.6
83.05002	16.8
83.08623	18.8
84.31269	3.0
85.06556	6.1
91.05476	25.7
93.07047	50.6
94.06560	8.3
95.04993	13.9
95.06083	4.9
95.08604	56.4
96.04470	5.6
97.06541	10.2
97.10175	14.3
99.04439	3.0
99.08093	3.7
103.05434	3.2
105.07030	38.2
107.04919	3.6
107.08599	55.8
109.06519	15.3
109.10157	39.6
111.04462	3.5
111.08073	10.4
113.09632	3.7
117.07021	9.5
119.08590	31.7
120.08078	3.0
121.06545	8.3
121.07631	20.9
121.10149	49.3
123.04448	2.7
123.08040	13.5
123.11729	13.3
125.09629	6.9
129.07019	3.8
131.04893	4.0
131.08572	25.6
133.10152	23.7
135.08052	7.8
135.11684	33.0
137.06023	3.1
137.09579	5.3
137.13306	4.6
139.11259	5.8
143.08647	4.0
145.10107	41.5
147.11702	16.5
149.09628	8.7
149.13242	13.5
151.11191	6.8
152.68031	2.7
157.10153	3.3
159.11705	35.0
161.13245	29.5
163.11183	22.9
163.14809	3.5
164.14436	4.1
167.10532	2.7
173.13271	12.6
174.12817	18.4
175.14888	6.6
177.05479	8.3
177.09213	4.4
177.12762	8.9
177.16422	4.8
179.10580	4.7
181.12338	3.1
191.07117	5.3
191.15640	16.6
191.17931	17.7
192.06558	10.5
192.13843	67.6
195.13747	4.5
201.16402	50.8
210.14940	16.8
219.10245	6.6
219.14949	100.0
219.17426	30.2
237.07462	5.8
237.14941	19.6
237.16016	25.2
237.18240	54.2
237.21989	20.3
241.83121	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	239.164
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
51.88173	3.0
53.03946	4.1
53.65938	3.4
55.01858	8.7
55.05511	23.4
56.96553	5.7
57.03439	4.1
57.07077	4.2
59.04995	3.7
66.44248	2.6
66.88645	3.0
67.05507	61.6
69.03411	3.4
69.07069	31.2
69.82154	16.1
70.92762	2.9
71.04999	39.4
79.05058	3.9
79.05492	46.8
81.03420	6.6
81.07056	77.5
83.04997	19.3
83.08633	20.1
85.02905	14.1
85.06532	7.4
89.06013	9.1
89.19046	3.1
91.05478	59.3
93.07040	59.7
95.04974	91.3
95.08616	57.4
97.02902	3.4
97.06532	62.1
97.10150	7.6
99.04448	4.9
99.08080	4.0
103.19476	3.0
105.07037	59.8
107.04956	58.9
107.08604	30.4
109.06519	16.5
109.10149	21.4
111.04441	25.9
111.08051	8.0
111.11707	4.2
113.09615	4.4
117.07027	24.7
119.08577	36.6
121.06482	14.3
121.10154	9.1
123.08047	12.5
123.11703	6.7
129.07062	16.3
131.08549	9.3
133.06502	32.6
133.10129	21.3
135.08055	3.6
135.11703	9.3
137.09610	8.3
143.08565	28.2
145.10127	10.7
147.08000	4.4
147.11731	5.4
149.13213	3.5
157.10091	8.1
159.11703	9.9
161.09624	5.1
161.13260	22.4
163.11186	23.9
175.14822	9.9
177.12708	20.1
179.14319	77.2
183.11639	3.9
185.13280	25.2
203.14349	24.7
210.92195	3.5
221.15367	100.0
233.93707	2.8
239.08855	22.8
239.10942	3.0
239.12808	10.9
239.15981	3.4
239.18062	12.9
240.62479	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	237.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01869	2.2
55.05513	23.9
56.05042	2.1
57.03439	1.6
57.07087	5.1
59.05003	4.8
65.03957	1.3
67.05510	17.8
68.05026	5.8
69.03423	1.8
69.07074	18.3
70.06596	3.0
70.80239	2.3
71.04984	2.8
79.05495	15.6
80.05023	42.5
81.03413	2.5
81.07059	32.8
82.06585	19.4
83.04987	7.5
83.08620	12.4
85.02896	2.3
85.06558	3.7
85.63980	1.0
91.05473	12.0
93.07051	29.0
94.06575	11.8
95.04983	5.4
95.06101	4.7
95.08043	2.0
95.08610	26.1
96.04484	4.0
97.06544	5.0
97.10181	14.0
98.20707	0.9
99.04453	2.2
99.08070	2.1
105.06395	0.7
105.07032	25.3
106.06567	2.5
107.04969	3.2
107.08602	26.2
108.08125	1.8
109.02940	1.0
109.06489	6.9
109.07656	3.2
109.10154	15.7
111.08101	5.9
111.11739	2.3
113.06009	1.2
116.98624	1.2
117.07034	6.2
119.08582	19.9
120.08173	1.6
121.06548	3.4
121.07633	24.9
121.10145	35.1
123.08086	5.2
123.11700	5.3
125.09638	5.4
129.07071	1.6
130.07771	2.3
131.08572	10.4
132.08086	2.1
133.10139	11.5
135.08063	3.6
135.09027	1.1
135.11705	17.2
137.05960	1.4
137.09612	2.3
137.13235	1.6
139.07533	1.7
139.11168	1.1
144.09326	2.3
145.10133	25.4
146.06047	1.9
146.09747	1.2
147.11690	8.6
149.06018	1.4
149.09633	3.4
149.13287	4.5
151.03874	1.4
151.11209	2.2
157.10133	2.6
159.11710	19.1
161.13261	12.7
163.04114	1.4
163.07581	1.8
163.11218	13.5
163.14798	1.9
164.14378	4.1
173.13301	5.2
174.12808	23.2
175.14842	2.4
177.05418	1.3
177.09120	1.4
177.12784	4.3
177.16414	3.5
179.10785	1.3
181.08656	2.1
181.12274	2.8
189.16389	1.6
191.06982	1.4
191.15541	18.2
191.17941	12.5
192.06516	6.2
192.13846	67.5
201.16388	29.8
201.19270	1.3
201.21236	1.0
207.42108	1.0
208.37633	1.0
210.14915	13.4
210.72028	1.0
219.06662	1.4
219.14983	100.0
219.17436	16.4
220.15240	1.4
237.07501	2.2
237.11061	1.5
237.15926	33.6
237.18547	35.7
237.21890	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	237.0757
Annotation	Orthosporin
Peak:m/z	Relative Intensity
55.01855	1.7
55.05517	1.1
55.07196	0.4
55.18919	0.4
56.96545	0.5
57.03426	0.7
57.07062	0.6
65.03921	0.8
67.05502	5.3
68.99435	0.7
68.99788	7.9
69.03428	1.1
69.07057	1.3
70.60056	0.6
70.60408	1.7
71.04988	0.7
75.01392	0.5
79.05486	2.5
81.03407	1.0
81.07057	11.4
83.04990	4.5
83.08593	0.9
85.02895	1.0
91.05470	1.7
93.03394	1.1
93.07025	2.3
95.04939	1.0
95.08601	2.1
97.06544	0.6
98.97588	0.6
105.03381	0.5
105.07032	2.7
107.04259	0.3
107.04951	9.1
107.08583	1.7
109.06512	0.9
111.00808	38.3
111.04439	7.8
115.05443	1.1
117.07010	2.3
119.08544	1.0
121.06497	2.1
121.10136	1.2
123.04436	1.4
123.08070	0.6
125.09709	0.6
127.03913	6.3
129.06982	1.0
131.04936	1.3
131.08553	0.9
133.06494	0.6
133.10114	0.8
135.04424	1.3
135.08044	1.7
135.11650	0.7
139.03893	2.7
144.05688	0.7
145.06458	2.0
145.07503	0.5
145.10129	0.7
147.04404	3.6
147.08112	0.9
149.02304	0.7
149.05991	6.4
149.09586	0.6
150.03168	1.4
151.07561	3.1
153.01828	13.1
155.03394	0.6
159.08035	1.2
160.05247	0.7
163.03905	8.2
163.07539	5.6
167.06984	0.6
168.53593	0.5
171.02850	0.7
173.05991	2.2
176.04694	0.7
177.05429	1.3
177.12740	0.5
181.01350	0.6
187.07491	1.2
191.07031	100.0
192.06396	0.6
192.07750	0.8
201.05406	0.9
207.10036	0.9
209.08118	0.8
219.06531	64.9
219.10112	2.6
219.17442	0.6
220.06783	0.9
237.07585	6.0
237.11177	2.0
237.14801	1.1
237.18491	1.0
237.22122	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0871
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
55.01888	0.8
55.05509	1.8
56.96573	1.0
57.03425	1.1
57.07065	2.2
58.75807	0.5
65.03959	0.6
67.05503	2.2
69.03410	0.7
69.07049	2.3
69.49148	4.8
70.06580	1.0
71.04998	0.9
71.08621	0.8
72.94744	0.5
74.02445	3.8
79.05494	2.3
80.04996	0.8
81.03416	2.3
81.07058	2.8
83.04974	2.4
83.08626	1.1
85.06536	1.1
91.05481	2.0
93.07038	2.4
94.06574	4.1
95.04966	1.8
95.08617	3.2
97.06517	1.2
97.10169	0.9
105.07039	1.1
107.08592	1.9
108.04442	0.8
109.02867	0.8
109.06535	0.8
109.10165	2.4
110.06029	1.9
111.04413	0.7
116.98647	0.7
117.06994	0.7
118.06548	6.9
119.08588	1.5
120.04475	3.1
120.08117	1.8
121.06552	0.8
121.10154	2.1
122.05972	0.9
123.11698	0.8
125.09629	1.1
128.04979	3.1
130.06531	7.8
131.04947	1.7
131.07361	0.9
131.08565	1.1
132.04469	2.1
133.05247	1.5
134.95831	0.9
135.08011	1.0
135.11667	1.3
136.07590	7.9
137.05986	0.9
137.09679	0.6
140.68332	0.7
145.07629	1.1
145.10165	0.8
145.24609	0.6
146.06015	100.0
147.06387	0.7
148.03941	11.8
149.13240	0.9
149.94618	2.0
150.05510	2.6
152.96860	1.2
157.07629	6.8
158.06041	0.7
159.09181	1.6
161.05980	0.7
163.03915	1.2
163.07518	1.2
164.07109	3.4
173.07184	3.2
174.05516	15.0
175.80865	0.5
176.07025	0.7
176.96971	3.3
177.05489	1.0
177.09105	1.0
177.12718	0.6
178.05020	1.4
182.61116	0.6
191.05573	0.7
191.08189	15.6
191.14230	0.8
192.06575	5.4
194.97858	0.7
202.04973	2.7
203.08162	6.9
204.08990	0.8
219.07947	0.6
219.13664	0.8
219.17496	0.9
220.04140	1.0
220.06079	5.4
220.08144	1.1
237.08813	12.8
237.12685	1.0
237.14864	1.7
237.18448	1.0
237.22154	6.2
259.12109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
53.03939	0.4
54.35270	0.3
55.05511	1.2
56.05025	0.3
56.96561	1.7
57.03429	0.6
57.07073	0.5
60.04525	0.3
61.02916	0.6
65.03941	0.3
67.05497	0.7
68.05009	0.3
69.03419	1.0
69.07063	0.5
70.06584	1.1
70.34971	0.9
71.01353	0.3
71.04977	0.4
72.08155	9.4
73.02914	1.1
73.06523	0.2
74.02446	5.9
79.05489	0.8
81.03438	1.6
81.07050	1.9
83.04979	0.7
83.08605	0.3
84.08144	0.7
84.96050	0.5
85.02896	1.5
85.06544	0.4
86.09711	0.4
87.00842	0.3
87.04453	0.5
91.05469	1.1
93.07033	0.8
94.06564	0.4
95.05029	0.6
95.06061	0.3
95.08604	1.2
97.02870	1.1
97.06519	0.5
98.97583	2.0
99.04446	0.5
103.05476	0.6
105.06993	0.6
106.06528	0.4
107.04956	1.0
107.08547	0.7
109.02859	1.1
109.10175	0.5
110.06009	0.3
110.07103	0.3
111.04485	0.3
116.98635	1.6
118.06506	1.3
120.08119	0.5
120.99538	0.4
121.06491	0.3
121.10106	0.4
123.04446	0.7
125.05947	0.3
127.03915	0.4
128.04951	2.5
128.07114	0.4
128.98650	0.4
130.06540	0.9
131.04921	0.4
132.04442	0.6
134.95888	0.4
134.99660	1.0
135.04449	0.5
135.07990	0.4
135.11681	0.5
137.02345	0.9
137.06000	0.3
142.66960	0.2
143.00259	0.3
145.05089	0.3
145.06548	0.4
146.06009	100.0
146.99660	0.6
147.04396	0.4
147.06375	1.0
148.03935	1.0
148.97461	0.4
149.05913	0.5
149.13191	0.3
149.94591	0.8
152.96910	0.4
154.94174	0.8
155.04703	0.6
155.54881	0.5
156.04716	0.3
158.06003	0.5
158.99626	0.3
159.02948	0.2
159.11653	0.3
161.01202	0.5
161.02914	0.3
163.03932	1.0
163.07520	0.5
164.55457	0.4
165.48296	0.3
166.04991	0.3
172.95241	4.0
173.07130	0.7
174.03645	0.4
174.05525	0.9
174.12804	1.8
175.08636	0.5
176.96942	1.5
177.00755	0.7
179.06996	0.2
185.01176	0.4
190.96332	3.0
190.97934	0.4
191.08194	1.4
192.06541	1.0
195.96822	0.3
196.91724	0.3
213.94109	0.4
213.97853	0.5
214.96266	0.5
219.01591	0.5
219.07779	2.7
219.09953	0.4
219.13741	0.4
220.13362	1.6
227.02251	0.3
227.56914	0.4
232.97287	0.7
236.57495	0.4
237.02817	0.9
237.08778	7.6
237.12514	0.6
237.15962	0.7
237.18329	0.6
237.22076	1.7
249.02840	0.3
253.66257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03938	1.3
53.28643	1.0
55.05519	9.5
56.05017	1.2
56.96557	2.3
57.07078	16.5
65.03956	1.6
67.05170	1.4
67.05505	15.7
69.03423	1.9
69.07068	13.5
69.96501	2.5
69.96896	2.9
71.05011	1.9
73.06557	1.7
79.05490	11.4
81.07061	42.9
83.04998	1.8
83.08610	4.7
87.04478	2.2
88.07641	2.4
89.07958	1.8
91.05479	13.1
91.17224	1.1
93.07045	32.0
95.04936	2.5
95.08609	63.3
97.06517	4.8
97.10194	1.3
97.86375	1.1
102.00796	1.0
105.07031	34.2
107.04964	1.9
107.08601	40.2
109.06524	4.1
109.10160	21.9
111.04450	1.4
111.08096	3.8
111.11695	4.0
115.05472	1.5
116.98595	1.4
117.06946	1.7
119.08591	38.8
119.09453	2.1
121.06501	3.0
121.10149	13.4
123.04478	1.9
123.08089	2.4
123.11716	2.9
125.05991	3.7
125.09620	3.6
129.05339	1.0
129.06981	1.8
131.08571	4.8
133.10135	44.6
135.08076	2.3
135.11693	29.8
137.09647	1.9
139.03929	1.7
139.07510	9.9
143.08545	2.9
145.10129	4.0
147.08052	2.4
147.11694	34.0
149.09550	1.1
149.13240	4.3
151.07593	1.7
151.11145	1.0
153.09117	2.6
157.10152	3.1
159.11711	3.9
161.05916	1.1
161.09602	5.5
161.13303	10.0
163.07520	1.4
163.14818	2.1
165.09146	3.1
167.21336	1.3
170.00604	1.1
173.13329	5.1
175.11227	3.5
175.14825	10.9
179.10674	14.4
180.58568	1.4
187.18889	6.8
189.08940	1.5
189.16389	100.0
190.16701	2.2
191.07050	1.9
193.12248	1.9
199.14867	5.9
207.17595	1.3
217.12617	1.4
217.15886	33.2
217.19228	1.5
220.05278	1.1
235.16943	95.2
235.20622	18.6
236.17166	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
50.23944	1.3
53.03940	2.4
55.01862	1.9
55.05499	5.3
56.96572	3.2
57.07076	29.1
67.05511	10.0
69.03408	2.0
69.07069	7.9
71.27028	2.6
71.27354	1.3
79.05489	14.8
81.03425	2.5
81.07059	17.4
83.04961	1.9
83.08622	3.1
91.05487	12.6
93.06470	1.5
93.07043	25.2
95.04944	4.8
95.08607	17.1
95.48442	1.2
96.98478	1.2
97.06532	11.1
97.10178	1.2
105.07031	13.5
107.04963	2.2
107.08590	14.1
109.06504	3.7
109.10137	8.6
111.04462	3.8
111.08102	1.4
111.11755	1.4
115.05473	2.0
117.07004	3.6
119.08570	11.2
121.02866	4.1
121.06465	1.8
121.10136	10.9
123.04453	2.3
123.08083	2.0
123.11707	3.0
125.05946	1.1
125.09631	1.4
129.06964	1.9
131.08553	2.3
131.97435	1.8
133.06396	1.5
133.10123	12.5
135.08060	3.2
135.11690	8.2
137.09618	2.5
139.03900	3.0
141.25507	1.3
145.06471	3.5
147.08006	2.0
147.11697	6.9
149.02325	5.6
157.10141	3.1
159.11650	3.0
161.05928	2.6
161.09561	2.4
161.13254	4.5
163.07555	4.8
171.11667	1.9
173.05988	3.9
173.13248	2.0
175.07516	3.7
175.11284	2.7
175.14868	6.3
178.07849	1.2
179.10664	22.8
179.14337	1.4
187.07545	1.3
189.12735	1.9
189.16396	15.6
190.96312	1.4
191.06964	6.3
194.08717	1.3
199.14749	1.7
207.10071	1.5
217.08676	1.8
217.12291	1.7
217.15939	8.1
217.19505	3.9
218.11154	1.3
228.03787	1.3
235.07738	1.9
235.09578	9.1
235.13231	3.1
235.16934	100.0
235.20367	7.7
236.17491	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03931	1.3
55.01876	1.5
55.05504	3.8
56.96558	3.4
57.03421	1.1
57.07079	24.4
57.58384	1.0
59.05003	2.0
65.03944	1.4
67.05508	8.1
69.03423	1.3
69.07068	7.4
69.52771	7.7
70.06577	1.2
71.04990	2.8
71.78818	1.1
78.94781	1.0
79.05500	8.5
81.03423	1.9
81.07067	13.6
83.05000	1.6
83.08627	2.3
91.04993	1.4
91.05460	7.9
93.07059	10.3
94.47472	1.2
95.04974	4.5
95.08620	12.0
97.06527	12.4
98.21540	2.3
99.04462	1.1
105.07037	11.4
107.04944	5.2
107.08605	13.1
109.06519	4.3
109.10159	8.2
111.04436	4.7
111.08121	1.7
115.05436	2.1
117.07011	2.4
119.08588	32.4
121.02885	4.6
121.06497	2.2
121.10120	5.7
123.04459	3.3
123.08089	2.8
123.11720	1.8
124.04731	1.0
129.07008	2.2
131.08572	5.7
133.06500	2.7
133.10130	17.2
135.08064	7.1
135.11685	4.8
137.09621	2.0
139.03908	4.3
142.07761	1.7
143.08577	4.6
145.06471	2.9
145.10141	4.3
147.04442	2.0
147.08018	2.9
147.11690	7.8
149.01256	1.4
149.02324	4.1
149.09641	2.5
149.13292	1.4
151.11185	2.8
153.09114	1.4
157.10156	4.0
159.11687	4.7
159.12910	1.1
160.12508	1.1
161.09662	16.2
161.13261	2.7
163.07550	3.2
165.12920	1.3
171.11681	3.3
173.13237	5.9
175.07567	2.4
175.11194	5.1
175.14819	7.3
177.12794	2.8
179.10687	21.4
183.08694	1.5
187.07628	1.5
187.14728	1.5
189.09091	1.2
189.12683	2.4
189.16388	8.9
191.07088	5.8
191.14325	1.2
192.09114	2.5
193.15887	1.4
199.14845	4.5
207.10175	1.2
207.17415	1.2
217.08698	1.5
217.12480	1.7
217.15906	31.5
217.19353	2.2
235.09589	8.0
235.13194	4.3
235.16940	100.0
235.20313	6.4
236.17166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0965
Annotation	trans-p-Coumaryl diacetate
Peak:m/z	Relative Intensity
52.59772	0.2
53.62342	0.2
53.80968	0.2
55.01896	0.2
55.05518	0.4
56.96561	0.3
57.07076	2.0
67.05504	1.0
69.07077	0.7
71.04984	0.3
78.61697	0.2
79.05482	0.7
81.07065	1.5
83.08598	0.2
83.25545	0.2
91.05477	1.9
93.07039	1.2
95.08610	0.9
97.06520	1.6
98.97570	0.5
105.07043	1.4
107.04987	0.3
107.08593	0.7
109.06538	0.3
109.10170	0.7
111.04436	0.4
115.05439	2.8
116.57690	0.2
116.98580	0.3
117.07013	1.4
119.08575	1.9
121.02838	0.3
121.06541	0.3
121.10141	0.6
123.04462	0.3
128.06200	1.0
129.06999	3.9
131.04906	0.4
131.08530	0.3
132.05696	0.7
133.06520	1.0
133.10133	0.7
135.08022	0.3
135.11679	0.8
137.02345	0.8
137.09613	0.3
139.03922	0.3
143.04932	0.4
145.06448	0.6
147.04478	0.4
147.08057	2.4
147.11697	0.5
149.02350	0.4
157.06497	3.8
159.08076	0.2
160.05191	4.0
161.05994	1.9
161.09706	0.4
161.13240	0.3
163.07549	0.8
165.31709	0.2
173.06064	0.2
174.06854	0.5
175.07544	100.0
175.14799	0.7
176.07906	1.6
177.00829	0.4
179.10678	1.4
185.05992	1.0
187.85313	0.2
189.09106	2.9
189.16405	0.6
191.07022	2.1
193.08609	0.5
203.07088	0.4
215.09329	0.6
217.08630	1.8
217.15851	0.7
217.19513	0.2
224.09877	0.5
235.09642	15.9
235.13333	0.6
235.16920	8.1
235.20630	1.0
235.60686	0.3
236.09991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91823	1.5
55.05501	2.0
56.05033	2.7
56.96563	21.1
57.03423	2.8
60.05642	3.8
61.02914	8.7
66.61687	1.5
67.05484	2.8
69.03410	5.3
69.07058	3.5
70.06594	10.8
70.44320	6.0
71.04988	3.6
72.08141	3.8
73.02918	3.2
74.06052	3.4
81.03422	3.6
82.99820	2.0
84.04485	4.6
84.08140	59.4
84.96041	2.6
85.02892	7.3
86.09705	27.8
87.04446	2.9
88.07615	5.3
89.55339	1.7
97.02870	7.0
98.97581	12.0
101.00880	17.6
104.07069	3.3
104.10729	4.5
110.05998	1.8
114.05529	2.0
115.02405	5.5
116.07061	1.8
116.98618	11.6
119.01920	83.2
121.01624	2.3
127.03983	2.0
128.07086	8.3
128.92255	1.7
128.98589	3.7
130.05020	1.9
130.08675	16.9
130.09662	3.7
131.00163	2.5
131.01863	2.5
131.24628	1.7
131.96155	4.2
132.04436	2.2
133.03462	83.9
134.03635	2.3
134.99637	6.4
137.02983	21.4
142.08636	2.8
143.00188	2.2
143.01884	10.3
145.03445	2.3
146.99654	4.5
149.01239	1.8
149.02977	4.0
151.04530	28.1
156.05080	3.4
161.01410	2.5
161.02968	34.1
162.99161	2.2
165.00667	2.8
170.08090	8.1
170.15402	5.2
173.02963	39.5
176.03235	2.0
177.00711	2.6
177.04198	2.6
188.16451	2.5
190.98622	6.1
191.02470	3.8
191.03996	100.0
192.04230	2.6
193.00183	3.2
205.10884	4.6
207.01802	2.6
208.99681	4.9
210.94295	2.5
214.05577	6.7
215.14067	1.9
233.05066	43.3
233.10281	5.0
233.12340	7.0
233.14880	4.1
233.16139	2.5
233.18573	31.8
237.02766	1.8
251.06158	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03924	2.0
53.78082	1.5
55.05501	6.1
55.05752	1.5
56.96560	4.7
57.07079	7.8
65.96229	1.4
67.05501	6.7
69.03426	4.7
69.07059	6.4
69.85716	10.5
71.04989	1.7
71.95280	1.6
79.05059	2.2
79.05499	28.5
81.03406	2.1
81.07059	12.4
83.08610	4.3
83.87985	1.4
85.06545	2.9
89.48179	1.4
91.02917	1.5
91.05483	13.3
93.07037	12.2
95.04974	4.6
95.08608	7.7
97.06560	2.4
105.07047	17.2
107.04967	28.3
107.08600	12.0
109.06546	3.2
109.10154	3.2
111.08081	4.7
113.06001	2.8
117.07005	5.1
119.08597	17.1
121.06520	5.2
121.10127	9.1
123.08050	2.8
125.09610	1.6
129.07019	2.8
131.08575	15.6
133.06461	2.2
133.10126	9.8
135.08073	7.1
137.05998	1.8
137.09665	4.8
143.08554	1.9
145.06458	3.7
145.10136	16.5
147.08035	12.0
147.11673	10.0
149.09602	5.2
149.13263	2.6
156.09460	1.7
157.10153	8.2
159.08095	2.9
159.11697	6.4
161.09625	2.1
163.11195	5.9
163.14873	2.6
171.11693	2.2
172.05247	2.8
173.08069	1.7
173.09576	2.6
173.13226	11.7
175.02782	2.3
175.11179	16.8
177.09094	1.9
177.12685	1.7
182.11035	1.7
187.11176	3.0
187.14842	7.0
189.12761	7.4
191.10678	2.2
191.14311	38.4
193.03865	2.2
197.13240	3.5
205.08543	2.4
215.10719	3.5
215.14310	10.0
215.17953	1.9
217.15935	2.2
233.08066	9.6
233.11714	6.3
233.15375	100.0
233.18822	13.9
238.23343	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	6.8
56.96328	3.9
56.96570	42.4
57.03425	8.2
60.05638	10.5
61.02917	8.6
67.05479	8.1
69.03426	6.2
69.07061	5.2
70.06595	22.9
70.19764	9.7
71.04982	5.7
71.61529	3.0
72.08160	22.1
73.02919	5.7
74.06065	7.1
74.97611	3.1
81.03433	4.5
83.04985	6.7
84.04514	8.3
84.08146	100.0
84.96020	7.0
85.02895	14.5
85.06549	6.3
86.03253	4.6
86.09711	13.6
86.48852	3.6
87.04460	4.9
88.07631	11.7
89.58765	3.3
95.04945	4.2
97.02879	6.7
98.97585	16.3
100.07616	4.9
100.99127	6.0
101.00865	10.5
104.10740	9.4
107.53146	3.4
110.01253	4.8
110.97554	3.6
111.02023	4.3
115.02433	4.2
116.07117	4.9
116.31384	3.3
116.98615	15.7
118.06054	3.6
119.00201	4.6
119.01920	53.7
126.02581	4.5
128.02486	3.2
128.07080	20.1
128.98616	9.6
130.08640	23.8
130.09616	5.6
131.96074	4.4
133.03482	48.9
134.02342	5.0
134.99655	5.3
135.03110	6.1
137.02943	15.9
139.84389	3.7
143.00200	4.6
143.01910	10.5
144.03621	23.1
144.98077	3.3
146.99646	11.6
151.04512	18.6
152.07008	4.2
158.99561	4.4
161.01176	4.5
161.02943	26.0
161.04254	4.1
162.99086	3.8
165.00761	6.7
173.01576	4.1
173.02963	19.9
173.04413	3.5
174.07576	7.2
175.04440	5.0
180.03610	5.9
182.53601	5.1
185.01251	4.1
187.02701	4.0
187.92816	23.2
188.16446	4.4
190.03262	4.3
190.04924	12.8
190.98708	9.1
191.02365	4.8
191.04001	52.2
191.54062	5.0
195.04175	10.0
201.00673	4.6
204.04666	18.5
205.93921	4.1
208.99648	21.0
210.94447	12.6
213.03358	4.0
213.05238	6.2
214.05666	5.4
227.00829	4.2
233.04311	7.8
233.06538	41.3
233.12352	27.6
233.14954	8.5
233.18594	57.9
251.04404	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	232.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36906	0.6
56.96572	1.5
57.03418	0.8
58.46061	0.5
61.02909	0.6
69.03433	1.3
69.07085	0.7
69.39714	3.3
69.40131	1.6
70.04080	100.0
70.06600	1.6
73.02898	0.6
79.05494	0.6
80.57986	0.5
81.03448	1.3
81.07079	0.6
85.02905	4.5
88.07631	1.1
91.05463	0.7
95.76721	0.5
96.58615	0.6
97.02898	1.3
98.97589	2.1
106.08666	0.9
107.91339	0.5
112.87411	0.6
116.98621	2.1
119.08556	0.8
127.03938	1.0
131.69403	0.5
134.99644	1.4
142.11856	0.6
145.05060	0.7
151.05193	0.5
154.21565	0.7
177.00716	0.6
186.13692	1.3
214.10738	0.6
222.09140	8.1
223.09489	0.9
232.11790	1.7
232.14168	1.6
232.16904	1.2
232.22815	1.2
233.15514	0.8
237.02962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1082
Annotation	Caulibugulone F
Peak:m/z	Relative Intensity
53.07623	1.7
56.05030	3.7
59.06106	5.0
60.04518	2.6
68.05022	3.7
70.06575	6.1
71.37565	3.8
72.04493	2.1
72.08147	4.8
79.05479	3.2
79.62305	2.2
81.04523	2.9
81.07043	2.5
83.06106	10.3
84.04495	4.8
85.07641	1.9
87.14334	1.7
91.05462	6.1
92.04979	2.2
94.06566	3.2
95.04926	3.4
97.02849	2.1
100.07633	1.9
101.07139	3.5
103.05475	3.0
104.04969	2.6
105.07023	2.2
107.04936	5.1
107.07355	2.1
108.04490	2.2
110.06047	3.6
115.05440	3.2
116.04990	9.1
118.06537	13.2
119.04916	3.8
119.06053	2.8
120.04447	5.7
120.08073	3.1
122.06021	3.3
123.04396	4.3
126.05520	10.8
128.04959	2.7
130.06511	3.2
131.06064	3.0
132.04488	12.4
132.06898	2.0
132.08064	4.7
133.05225	4.5
133.06506	1.7
133.07614	4.6
134.05974	4.7
134.91103	1.8
136.07574	4.6
142.06534	5.5
143.06007	3.4
144.04439	1.9
145.06575	2.5
145.07629	13.1
146.06012	37.3
146.08377	14.2
147.04445	2.5
147.05618	2.8
147.06818	10.8
148.03928	5.9
148.06369	2.4
148.07527	6.1
149.07094	4.2
150.05505	4.5
152.07039	2.6
155.06073	3.9
156.06754	3.8
157.05263	3.2
158.04762	1.6
159.05537	3.4
159.06773	1.9
159.09186	11.2
160.07535	9.1
160.08688	3.2
161.07079	7.8
162.05473	5.4
163.08659	6.4
164.07048	7.6
165.06398	2.0
168.06650	2.8
169.07620	8.9
170.05995	4.9
170.11757	7.1
171.05516	16.3
172.08699	3.1
173.07108	24.6
174.05553	3.2
174.07895	39.2
175.06277	6.3
175.08647	3.3
176.07074	6.1
177.10246	2.0
186.10265	9.0
186.13699	2.5
187.05008	2.2
187.08684	27.7
188.07039	6.3
189.06564	7.6
190.09673	4.5
191.08191	13.1
192.09023	8.0
196.08607	1.9
197.07199	4.3
204.11261	3.5
204.87007	1.6
205.09702	6.1
214.09724	34.6
215.08174	19.0
232.10802	100.0
232.14331	5.2
249.94826	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71369	2.7
55.01868	3.0
55.05517	4.4
56.05031	5.1
56.96565	14.9
57.03428	7.8
60.05657	5.4
61.02927	6.9
64.55611	2.5
67.05499	9.1
68.05038	5.0
69.03427	7.6
69.04534	4.2
70.06598	100.0
70.20101	4.4
70.20504	10.0
71.04996	7.9
71.06927	5.4
72.08159	16.5
73.02914	5.5
74.02434	3.2
79.05470	2.7
81.07072	5.2
83.06104	4.5
84.04514	50.1
84.08155	31.5
84.96038	4.3
85.02901	20.9
85.06548	17.6
86.06057	5.3
86.09718	2.9
88.03990	24.1
91.05463	3.7
92.01262	2.5
93.07063	5.8
95.08646	2.5
96.02401	2.9
96.04525	2.8
97.02908	7.7
98.06051	4.0
98.97554	5.5
100.07634	4.8
101.00893	3.0
102.02409	3.1
102.05561	6.8
102.09190	6.5
105.07023	5.2
107.08645	3.1
109.02876	9.2
110.09668	2.8
111.05582	37.5
112.04033	2.6
112.07610	4.1
112.08702	5.2
112.99193	2.7
114.05537	9.4
114.06721	2.8
115.02438	2.7
115.08704	3.8
116.07100	63.8
116.98651	5.0
117.02939	3.2
119.01929	12.0
120.02116	2.6
121.01676	4.5
122.09683	3.2
125.07108	6.3
126.09164	5.5
126.12839	3.1
127.03922	11.6
128.07091	4.9
129.07066	5.8
130.04050	3.5
130.05013	67.4
131.01898	3.3
131.08589	6.2
133.03485	15.7
134.99661	4.2
135.03191	3.5
136.03931	2.7
137.02878	3.4
140.10738	12.6
142.05005	5.5
142.08698	5.3
143.08578	4.7
144.09222	3.7
145.03488	4.3
145.10121	4.8
146.99695	3.4
147.04034	4.1
147.07713	4.1
150.03580	2.8
157.03481	3.0
157.10008	3.6
159.07671	6.5
161.01225	8.6
161.02995	7.1
162.99136	2.7
165.00761	3.4
168.10228	49.6
169.13435	4.1
170.11801	6.6
171.07678	13.3
172.09679	4.2
173.03024	8.0
175.11963	6.0
179.02341	4.2
185.02879	5.6
185.11438	4.6
185.13039	20.5
187.14449	9.3
189.00771	6.0
189.02400	5.8
190.80045	2.6
191.03995	6.6
196.06056	28.2
203.04092	3.1
208.04601	3.8
213.08754	9.6
213.12352	39.0
214.07156	4.8
214.10712	24.5
231.04721	8.7
231.06622	3.4
231.09894	9.6
231.13712	29.2
231.16243	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	229.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01861	1.6
55.05512	38.7
56.96561	1.8
57.03182	1.1
57.03440	11.8
57.07082	7.2
59.05005	10.1
63.67316	0.8
65.03935	1.5
67.05508	65.0
69.03427	10.9
69.07069	13.2
69.45759	8.5
70.06588	1.7
71.04999	10.0
72.08148	1.0
73.06557	1.1
75.50051	1.0
76.17406	0.8
79.05482	3.3
81.03416	5.0
81.07058	23.3
83.04984	35.1
83.08625	26.0
84.04523	1.2
84.08180	0.8
85.06071	1.6
85.06547	21.1
87.02119	0.8
87.04477	1.6
89.06073	1.1
89.35341	0.8
90.11366	0.9
90.78461	0.8
91.05471	6.5
93.07049	14.6
94.46034	0.9
95.04975	4.9
95.08616	16.4
97.02906	1.2
97.06533	2.2
97.10174	4.7
98.97585	1.1
99.00797	1.5
99.04444	1.1
99.08090	10.1
101.06019	6.9
105.07019	4.8
107.04959	1.4
107.08599	22.4
109.02881	2.2
109.06517	2.5
109.10159	100.0
110.10492	1.3
111.08083	5.8
111.11731	1.6
113.06010	2.2
116.98615	1.1
117.07020	1.9
119.08591	10.1
121.10139	7.9
123.08063	1.6
123.11716	25.8
125.09638	11.1
126.12784	1.4
127.11200	20.6
129.07025	1.1
130.05013	1.2
131.08548	2.2
133.10129	7.8
135.11707	19.8
137.09598	5.6
137.13202	1.1
139.11160	1.2
141.12698	1.1
142.05095	1.0
145.06487	0.9
145.10156	2.0
147.11682	2.2
149.13264	9.9
151.11174	8.4
151.14804	2.6
153.12772	9.8
155.08562	1.9
155.10686	4.7
165.16376	1.2
167.14328	21.4
169.12251	31.9
171.13820	3.7
173.06003	1.2
173.11754	16.8
175.14819	10.8
183.11742	1.3
185.15387	7.0
193.15895	14.0
201.05479	1.4
207.38231	0.9
211.11209	1.3
211.16937	55.5
212.12897	1.9
214.14668	1.0
229.05000	5.2
229.08603	2.1
229.12259	2.4
229.14305	23.5
229.17946	15.1
229.23636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22904	0.8
55.01864	1.2
55.05503	1.8
56.05028	1.9
56.41995	0.9
56.96553	1.1
57.03432	2.6
59.01798	0.9
60.04530	1.2
67.05512	5.2
68.05012	2.4
69.03427	1.6
69.07060	2.7
69.47378	2.2
69.47784	6.2
70.06599	4.8
71.04984	3.8
72.08133	3.6
75.04484	1.4
79.05476	2.7
80.05025	1.3
81.03448	1.5
81.07056	3.9
82.06562	4.5
83.04978	1.0
83.08597	1.1
84.04490	1.3
84.08138	2.9
85.06565	1.1
86.06052	1.2
86.09686	2.5
87.10007	1.6
91.05478	4.6
93.07027	3.6
94.06569	12.3
95.04948	3.6
95.08602	2.6
96.04491	1.6
96.08105	2.6
97.02893	1.4
97.06531	2.0
98.06046	2.8
98.97578	1.9
105.07028	3.1
106.06548	2.8
107.04886	1.3
107.08579	3.5
108.08134	4.8
109.06510	3.8
110.06037	12.1
110.09651	1.7
111.08069	1.8
112.07582	2.4
113.05987	3.1
116.07094	2.6
118.06502	1.4
119.08592	1.5
120.08111	3.1
121.06499	2.9
121.10136	2.0
121.76926	0.9
122.06035	25.8
122.09660	2.6
123.04474	1.3
123.06872	2.1
124.07571	8.0
126.05434	1.2
126.09126	1.8
129.07002	2.8
130.06509	1.0
131.08507	2.4
132.04491	1.7
132.08072	1.8
133.08881	1.9
133.10081	1.3
134.06018	1.5
134.09601	5.4
134.99660	2.0
135.08072	2.7
136.07579	8.2
136.11180	2.3
137.08315	1.0
138.09135	9.5
139.07521	3.2
140.07065	32.5
142.08655	2.6
145.10147	1.8
146.06006	2.0
146.09641	1.2
148.03986	1.2
148.07570	2.6
148.11195	7.1
149.09599	5.8
150.09129	3.6
152.07060	2.5
154.05028	1.4
154.08638	46.7
156.10210	1.8
158.09732	1.2
159.08029	1.1
161.07123	1.2
161.08292	1.1
162.05518	1.8
166.12289	9.6
167.10657	3.5
168.10199	2.4
176.10713	8.7
177.09236	1.2
185.07190	1.7
185.13266	3.2
190.07372	2.5
194.08115	1.1
194.11778	24.7
195.10155	1.4
203.08151	3.1
212.12820	20.2
230.09209	5.0
230.13875	100.0
231.06645	1.7
231.13895	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	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03954	0.8
55.01875	1.0
55.05512	11.4
56.26321	0.6
56.96560	1.3
57.02838	0.7
57.03438	15.5
57.07070	4.2
59.05006	4.6
65.03943	1.8
67.05506	81.1
68.05848	0.7
68.83525	0.6
68.99804	0.6
69.03432	3.7
69.07064	6.5
70.06605	3.1
70.07016	1.4
71.04994	11.2
79.05483	5.3
81.03416	1.2
81.06577	1.4
81.07062	28.7
83.04984	2.1
83.08624	8.0
85.06541	12.9
87.04494	0.7
87.59869	0.7
89.06049	3.5
91.05492	8.2
93.07049	22.6
95.04964	2.3
95.08607	16.0
97.02908	0.9
97.06518	1.0
97.10159	0.7
98.97582	1.3
99.04481	1.7
99.08098	13.9
103.03946	1.0
104.39124	0.7
105.07030	7.0
106.51619	0.6
107.08597	32.1
109.06535	2.1
109.10158	100.0
110.10486	0.8
111.08086	4.1
115.05438	0.9
117.06998	0.9
118.08674	1.5
119.08589	12.9
121.10148	6.6
123.08108	1.2
123.11713	37.2
125.09622	8.4
126.07356	0.7
127.03899	0.7
127.11183	3.6
128.06302	0.6
131.08575	1.5
133.10138	12.2
134.99655	1.4
135.11691	24.6
137.09639	4.7
141.12737	2.4
143.08595	0.7
145.10086	1.0
147.11661	1.6
149.13257	8.7
151.11174	9.2
151.14784	0.9
153.12726	1.5
155.08585	1.1
155.10706	4.3
157.06479	0.8
159.11690	0.9
165.12769	1.0
166.88234	0.6
167.07047	1.8
167.14351	4.2
169.07545	1.8
169.12254	18.3
169.77405	0.7
173.11745	26.0
173.13126	1.4
175.14827	11.8
181.15833	0.7
183.11684	1.3
185.15392	1.0
187.11218	0.8
193.12244	0.8
193.15900	7.0
201.05482	1.9
201.12662	1.0
205.98714	0.7
208.10088	1.1
208.60471	0.6
211.11371	0.8
211.15089	0.7
211.16943	13.6
229.04948	4.9
229.08475	1.3
229.12294	2.4
229.14313	31.9
229.17979	4.9
229.23618	1.1
230.14554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
50.24450	2.2
53.03947	2.7
55.05514	61.5
56.96569	2.7
57.03428	6.7
57.07069	6.1
59.05007	15.8
67.05508	43.1
69.03427	13.5
69.07069	28.0
69.35105	18.2
69.35522	7.1
71.04989	9.9
79.05483	6.3
81.07067	27.5
83.04983	65.1
83.08616	41.0
85.06549	32.3
87.04443	3.9
89.61446	2.6
91.05450	6.0
93.07058	22.6
95.04967	11.6
95.08607	21.9
97.06507	3.9
97.10165	8.3
99.08089	17.4
101.06029	14.7
105.07010	7.2
105.33491	2.6
107.08591	33.7
109.06531	4.3
109.10162	100.0
111.08086	12.4
113.06010	5.1
113.19414	2.7
115.66554	2.4
119.08577	9.7
121.10114	11.8
123.08066	3.3
123.11712	46.7
125.09627	16.6
127.11201	33.8
133.10127	12.3
135.11690	32.1
137.09615	6.9
147.11661	3.0
149.13199	17.7
151.11237	13.3
151.14810	4.5
153.12729	11.7
155.10629	3.3
167.14323	40.6
169.12263	53.8
171.13818	5.3
173.81012	2.4
175.14882	15.5
185.15318	17.2
193.15878	24.4
211.16927	86.8
229.04782	2.6
229.12341	2.6
229.14284	6.5
229.17934	27.3
248.38322	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01878	1.4
55.05516	7.8
56.96556	0.7
57.03439	10.5
57.07085	4.0
59.05001	2.0
67.05511	55.9
67.52488	0.7
68.05850	0.9
68.35583	0.7
69.03435	2.4
69.07067	4.3
70.06604	4.2
70.77027	1.2
70.77362	1.8
71.05000	5.9
79.05510	4.6
81.03399	2.5
81.07067	33.8
83.04980	2.0
83.08659	6.0
84.08143	1.2
85.02912	1.1
85.06548	3.3
86.09705	1.5
91.05489	5.8
93.07066	4.5
95.04976	2.2
95.08046	1.2
95.08617	13.5
97.02885	2.1
97.06538	0.8
97.10190	4.3
99.00833	1.5
99.04465	0.9
99.08105	1.3
101.06036	1.1
103.03939	1.0
105.07046	4.1
107.08602	5.7
109.02904	1.4
109.06563	1.4
109.10168	55.9
111.08080	2.2
112.08642	0.9
113.06028	0.9
114.10307	0.9
115.07613	0.9
117.06997	1.1
118.08634	1.0
119.08591	8.2
121.06501	0.7
121.10156	10.8
123.08096	2.1
123.11723	100.0
125.09611	1.8
127.03931	1.4
131.08580	1.4
133.10162	6.0
134.99609	0.7
135.08121	0.8
135.11708	5.1
136.81857	0.8
137.06017	1.2
137.09641	4.6
137.13248	1.6
141.07065	0.8
141.12782	1.1
143.01918	0.8
145.06577	1.1
147.11693	1.9
149.13274	1.4
151.11267	0.9
155.10638	1.9
159.11783	1.3
161.02975	1.0
167.07039	2.4
169.08731	0.9
169.12268	9.0
173.11768	15.1
173.13132	0.9
175.14867	6.9
183.11768	1.8
186.15005	1.3
187.11185	0.9
193.10297	1.0
193.12189	1.2
193.15863	3.7
211.16942	5.8
229.05070	3.0
229.08673	2.3
229.12247	3.8
229.14226	20.6
229.18022	3.4
229.19865	1.2
229.23582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03946	2.1
55.01876	3.6
55.05513	14.9
57.03439	13.1
57.07071	5.2
59.05002	3.9
65.03944	2.0
67.05507	65.4
69.03416	3.1
69.07071	13.4
70.06594	2.8
71.04998	8.8
71.08628	1.4
71.58172	1.7
79.05503	7.6
79.20792	1.1
81.07062	27.6
83.04961	5.4
83.08616	10.1
84.04488	2.3
84.08155	10.3
85.02882	1.4
85.06543	11.9
86.09718	6.7
91.05466	9.0
91.56515	1.3
93.07058	20.6
95.04969	4.9
95.08614	42.3
97.02847	2.2
97.06545	4.0
97.10168	6.2
98.75904	1.3
99.04451	3.1
99.07480	2.9
99.08096	39.8
105.07025	12.9
107.04964	1.8
107.08595	25.8
109.02859	2.2
109.06522	5.9
109.10162	100.0
111.08088	6.6
113.02395	1.6
113.09623	3.0
116.98617	1.3
117.06994	1.6
119.08588	40.3
121.02849	4.5
121.09314	2.1
121.10149	31.1
122.06010	2.7
123.06349	4.4
123.08062	9.4
123.11710	17.9
125.02380	1.3
125.09605	2.9
127.05800	2.1
127.07577	2.7
127.11113	1.4
133.10136	52.7
135.11697	42.9
137.02324	5.5
137.09633	24.5
137.13235	3.2
138.02681	2.3
139.11154	2.2
143.01874	1.9
145.10138	1.9
147.11673	5.2
149.13272	9.6
151.05832	4.4
151.07549	1.5
151.11166	6.0
151.14841	5.6
152.07112	1.4
154.51180	1.5
155.07040	1.9
155.08546	1.7
155.10640	6.5
161.02966	4.2
165.09154	2.5
165.12808	1.7
165.16431	12.3
167.07033	2.1
168.06659	1.8
168.17503	4.3
168.99713	1.2
169.04951	2.6
169.06882	3.8
169.12285	1.7
173.11748	17.4
175.14838	73.4
176.15179	1.4
179.05336	6.0
193.15891	68.7
197.06313	1.8
208.10425	1.7
211.07962	4.9
211.11481	1.9
211.16943	33.0
212.16447	4.3
229.04985	3.9
229.08995	6.0
229.12317	2.7
229.14336	24.3
229.17879	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	229.1799
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
53.03939	0.6
55.01872	1.0
55.05513	8.8
55.43270	0.6
56.05019	0.8
56.96560	1.3
57.03429	1.9
57.07088	2.9
59.04998	2.5
62.60191	0.6
67.05170	1.0
67.05508	13.9
68.80816	0.5
69.03429	2.4
69.07067	4.7
70.06586	2.6
71.01364	0.7
71.04996	8.9
71.57858	0.7
79.05492	4.5
81.03417	1.2
81.07059	9.8
83.05001	2.8
83.08624	7.6
85.02929	1.1
85.06540	3.6
85.10169	0.7
86.09691	1.3
91.05487	3.3
93.07052	8.9
94.07356	0.7
95.04977	13.8
95.05907	0.6
95.08609	26.1
97.02889	0.8
97.06533	2.8
97.10183	1.0
98.06047	0.5
98.97584	0.7
99.00813	1.3
99.04459	11.2
99.08096	100.0
101.06039	1.0
105.07040	3.5
107.04951	0.7
107.08603	8.1
108.63564	0.6
109.06486	3.1
109.10160	49.9
111.04466	0.8
111.08096	1.8
113.06004	2.3
113.09661	1.8
115.05450	0.7
116.07104	0.9
116.08025	0.6
116.98653	1.0
117.09159	2.7
119.04988	0.8
119.08595	7.0
121.06527	0.8
121.10131	4.5
123.04448	1.3
123.08067	2.8
123.11696	3.0
125.09656	1.5
126.12761	0.5
127.03915	1.1
127.07569	1.8
127.11182	2.1
131.08601	0.9
133.06424	0.8
133.10139	4.9
134.99693	0.8
135.04485	0.6
135.11700	12.7
137.09618	15.1
139.03937	0.7
139.11226	1.2
140.04695	0.9
141.06996	0.6
145.10135	0.9
147.11699	1.1
149.13329	1.1
151.07538	0.8
151.11221	1.6
151.14816	1.3
153.12781	1.6
155.07033	0.9
155.10678	22.6
156.76437	0.5
165.09166	2.8
165.16476	0.8
167.07056	6.7
169.05052	0.9
175.14861	7.0
181.08565	1.0
183.11787	1.5
183.15775	0.7
193.08643	1.4
193.12273	1.4
193.15895	12.3
201.06631	5.8
201.12700	0.9
211.15192	1.3
211.16942	30.3
229.04779	0.9
229.06287	2.6
229.08914	1.8
229.12370	1.7
229.15784	1.6
229.18002	5.1
229.23607	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.28568	0.3
54.58679	0.3
55.01865	0.5
55.05502	1.1
56.05021	0.6
56.96569	2.6
57.03430	0.9
58.06602	5.0
59.07376	1.2
60.07869	0.5
60.08163	6.1
61.02911	0.5
67.05503	0.7
68.05033	0.7
69.03423	1.6
69.07071	0.4
70.06594	32.6
71.04984	0.6
71.57845	0.6
72.08154	4.0
73.02906	0.8
73.90915	0.4
79.05489	1.0
81.03415	0.7
82.06584	0.4
83.04988	0.4
84.04513	0.5
84.08150	1.8
85.02923	2.1
91.05475	3.2
93.07054	0.4
94.04194	0.4
95.04971	0.4
95.08615	0.5
96.08140	0.8
97.02886	1.9
97.07654	1.7
97.08915	0.5
97.96804	0.5
98.06052	1.1
98.09685	1.7
98.97591	5.5
99.04414	0.5
105.06993	0.7
107.04943	0.6
109.02838	0.7
112.08698	0.6
114.05531	3.3
114.06692	0.6
114.09163	1.2
114.10298	4.3
116.07082	1.5
116.98627	4.9
118.08697	0.4
119.01933	0.5
119.04960	2.6
120.05314	0.4
121.02870	0.7
123.04443	1.1
124.07614	3.5
126.09136	1.0
126.12794	14.3
127.03910	1.1
128.07022	0.4
128.55763	0.4
128.98578	0.7
134.99684	2.7
136.05452	0.4
137.02330	1.0
137.05991	4.5
141.06978	0.5
142.08636	24.8
146.99707	0.5
147.04417	5.7
148.04738	0.5
151.03865	0.5
151.07770	0.4
155.04906	0.5
155.08476	0.5
158.99623	2.2
161.01242	0.6
161.02892	0.4
165.05432	0.5
167.07083	2.4
168.15036	0.5
169.06447	0.9
170.08144	1.3
173.05946	0.5
177.00760	3.2
179.07013	1.3
183.11679	0.5
183.14948	1.0
185.17580	2.5
199.04367	0.5
205.98752	1.5
208.04945	2.7
208.55063	0.6
217.05492	5.4
217.55688	1.5
219.01796	0.5
219.55812	0.9
228.56149	0.5
229.04994	2.8
229.15474	100.0
230.15822	1.4
235.02797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	8.1
57.03442	20.5
57.07069	1.5
59.05001	5.3
61.72987	1.0
62.50850	1.0
65.03949	1.1
67.05508	100.0
67.42434	0.9
69.07049	1.9
69.52309	7.2
69.52720	2.1
71.04975	3.1
79.05469	2.0
81.07065	14.6
83.04925	1.1
83.08630	6.5
85.06516	3.2
91.05478	6.3
93.07030	3.1
93.66488	1.1
95.08604	6.5
99.00720	1.0
109.10162	86.9
111.08068	3.5
112.08730	2.7
118.08678	7.1
119.08569	9.1
137.09605	3.5
149.87450	1.1
155.10641	5.2
173.11752	33.8
183.11604	1.4
195.20335	1.2
229.12433	1.6
229.14307	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	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56442	0.2
55.01868	0.6
55.05516	0.3
56.05017	0.5
56.46467	0.3
56.96558	0.6
57.03425	0.7
58.06337	0.5
58.06598	4.8
59.07382	1.3
60.07882	0.4
60.08166	6.8
61.02919	0.8
68.05012	0.6
69.03402	0.5
69.07079	0.3
70.06593	34.6
71.04988	0.6
71.58097	0.5
72.08153	1.6
79.53796	0.3
81.03405	0.3
81.04532	0.4
84.08148	0.5
85.02895	0.8
86.09686	0.5
95.06082	0.3
96.08113	1.1
97.02909	0.8
98.06056	0.7
98.09673	2.4
98.97577	0.7
114.05529	3.5
114.06653	0.9
114.09179	1.9
114.10246	0.7
116.07078	1.5
118.08713	0.3
119.01902	0.7
121.49361	0.3
124.07606	2.8
126.09172	1.8
126.12803	0.9
135.03047	0.4
137.02884	0.4
142.08636	27.0
144.03619	1.3
150.10272	0.5
167.07053	1.9
168.11365	0.5
170.08112	1.2
183.07701	0.5
183.09555	0.8
183.11159	0.3
183.14847	0.6
185.13953	0.8
229.15472	100.0
230.15808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03927	2.2
55.01862	2.5
55.05513	20.9
56.96549	2.6
57.03437	15.2
57.07047	4.2
59.05002	5.6
67.05507	90.0
69.03426	6.0
69.03719	1.2
69.07069	12.4
70.06608	2.3
71.04997	6.8
71.30538	1.6
79.05467	4.6
81.03387	4.4
81.07063	23.4
83.04982	17.3
83.08625	15.9
85.06548	12.0
87.04461	1.9
91.05482	6.5
93.07058	10.1
95.04927	3.9
95.08611	15.9
97.02874	1.7
97.06490	2.6
97.10130	2.3
98.97591	5.4
99.00774	2.4
99.08064	4.5
101.05988	3.8
105.06985	4.8
107.08606	12.1
109.02872	1.3
109.06488	1.8
109.10162	100.0
111.08084	6.0
116.98573	4.2
119.08580	8.8
121.10094	4.1
123.11711	11.9
125.09570	4.7
125.13225	1.9
127.03868	1.8
127.11183	6.0
128.02299	2.7
129.06978	1.6
131.08537	2.4
132.01219	1.5
133.10063	5.4
134.99606	4.7
135.11699	9.8
137.02783	2.0
137.09613	5.8
145.10088	2.6
147.08049	1.5
147.11642	3.1
149.13187	4.3
151.11102	3.4
153.12715	3.2
155.10626	4.8
157.10146	1.8
158.99597	2.9
159.11633	1.5
165.97253	1.5
167.06975	1.4
167.14320	9.2
169.10057	1.8
169.12256	14.8
171.13808	1.3
173.05945	1.5
173.10278	1.4
173.11758	27.4
173.13147	2.9
175.14760	3.4
177.00691	4.0
183.11613	1.9
185.15308	3.1
187.14879	2.0
193.12196	1.9
193.15817	6.2
196.08871	1.5
199.09856	2.3
202.08931	2.7
205.98740	1.3
208.10356	2.9
211.11238	2.2
211.13097	2.7
211.15070	1.4
211.16922	21.8
217.10785	3.5
217.60921	1.7
229.05011	2.4
229.08638	2.4
229.12201	6.2
229.14259	38.1
229.17915	5.5
229.19757	2.7
229.23441	1.8
247.08290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05513	10.6
56.05852	1.2
56.96571	0.8
57.03434	18.6
57.07076	2.4
59.05009	4.8
64.87946	0.6
65.03947	1.6
66.68604	0.5
67.05506	100.0
68.05836	2.7
69.07071	5.6
70.07413	1.0
70.64117	2.3
71.04986	3.8
79.05503	2.6
81.07056	17.2
82.07404	2.3
83.08626	9.7
84.08958	1.4
85.06549	2.8
91.05473	6.1
93.07056	5.3
95.04940	0.9
95.08609	12.4
96.08942	5.3
97.06528	0.9
97.10200	0.9
98.10526	1.1
99.00779	1.1
99.08141	0.7
103.03979	0.7
105.07040	1.3
107.08607	2.8
109.10159	95.0
110.10478	4.2
111.08080	4.6
117.07078	1.0
119.08588	8.3
120.08969	0.7
121.10158	1.4
127.11169	0.9
130.76274	0.7
131.08557	1.4
133.10196	1.0
134.10475	1.1
137.09627	5.2
143.08603	0.7
145.10118	1.1
147.11658	0.8
148.12047	1.0
155.08621	0.7
155.10704	4.1
155.51393	0.6
157.10207	1.0
161.13297	0.8
171.08145	0.7
173.11745	32.2
176.15176	5.0
193.00407	0.6
194.16280	1.8
199.61998	0.7
229.12389	1.9
229.14333	46.7
229.19347	3.2
229.23555	1.9
230.14996	0.6
245.56427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01868	0.4
55.05497	0.5
56.96574	1.0
57.03427	0.4
57.07061	0.2
65.03949	0.2
67.05505	1.0
68.37929	0.2
69.03422	0.9
69.07058	0.5
70.06599	1.0
70.21700	0.6
70.22118	0.4
71.04987	0.6
72.08148	0.5
75.84921	0.2
78.04720	1.9
79.05495	1.3
81.03416	0.5
81.07071	1.0
83.05027	0.3
83.08633	0.3
85.02899	0.4
85.06554	0.2
86.09692	0.3
91.05486	2.5
91.34636	0.2
93.07046	1.4
95.01473	0.2
95.04972	1.4
95.08595	0.7
97.02896	0.5
97.06551	0.3
97.07644	0.2
98.97578	0.3
99.00793	0.4
99.04435	0.3
99.08102	1.0
103.05442	0.9
105.07018	1.0
106.04196	1.0
107.04951	1.4
107.08590	0.4
109.02881	0.5
109.06486	0.4
109.10163	1.1
111.08094	0.3
112.08738	1.1
115.05478	0.2
116.98595	0.5
117.07030	0.2
118.08648	2.3
119.04942	0.4
119.08586	0.5
121.02853	0.2
121.06517	1.7
121.10133	0.3
122.03664	0.2
123.04436	5.6
123.08038	0.4
123.85561	0.2
124.05215	2.3
125.05999	0.2
126.12788	0.6
127.03926	0.2
128.06207	0.2
129.06979	0.3
131.08537	0.4
133.06491	0.8
133.10106	0.4
134.03615	0.3
134.99658	0.7
135.04399	0.4
137.05975	0.7
137.09570	0.3
139.03955	0.2
139.07532	0.3
140.04697	0.6
141.06967	0.3
142.08731	0.3
145.10237	0.2
146.99625	0.2
147.04352	0.2
147.11688	0.3
149.05977	2.6
151.03897	1.4
151.07555	0.4
151.11162	0.2
152.04669	1.6
155.06956	0.3
157.05069	0.3
157.10127	0.3
159.08026	0.3
161.05960	0.5
165.05568	0.4
165.07057	0.2
166.06252	0.6
167.07040	100.0
168.04184	0.3
168.07390	0.9
169.05022	0.2
173.09566	0.3
174.46797	0.2
177.00632	0.4
181.08601	2.3
183.11717	0.5
185.17645	0.3
193.08630	2.2
193.12279	0.3
199.99802	0.2
201.09190	0.2
201.12733	0.5
205.98830	0.4
211.03944	0.3
211.07828	0.3
211.09605	1.1
211.11189	0.4
211.16945	0.3
229.05011	1.3
229.06822	0.3
229.08684	0.6
229.12247	2.1
229.15630	0.8
229.23576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88781	0.2
53.03942	0.5
55.01843	0.4
55.05490	0.7
56.96573	1.1
57.03431	0.4
57.07077	0.6
65.03922	0.3
67.05505	1.7
69.03472	0.4
69.07069	0.4
69.65049	0.5
69.65459	1.5
70.06607	1.1
71.05012	0.5
72.08157	0.3
73.02908	0.3
78.04719	2.0
78.26508	0.2
79.05505	1.8
81.03421	0.6
81.07051	1.1
83.04989	0.5
83.08644	0.3
84.08137	0.3
85.02896	0.8
86.09708	0.5
91.05499	2.2
93.07047	2.0
95.04996	1.9
95.08607	1.0
97.02876	0.8
97.06534	0.5
98.06063	0.3
98.97585	0.5
99.00819	0.7
99.04450	0.3
99.08099	1.2
103.05457	0.7
105.07031	1.6
106.04174	1.5
107.04957	1.4
107.08598	0.3
109.02905	0.6
109.06513	0.6
109.10167	1.8
111.04463	0.3
111.08058	0.3
114.10302	0.5
116.98605	0.7
119.08544	0.3
121.06509	2.1
121.10151	0.3
122.03649	0.4
123.04443	5.5
123.08044	0.6
123.11657	0.3
124.05239	2.4
125.02301	0.3
126.12788	0.5
131.08606	0.6
133.06490	1.0
133.10144	0.5
134.03662	0.5
134.99680	0.7
135.04411	0.4
137.05956	1.0
137.09625	0.4
140.04680	0.4
141.06966	0.4
143.08479	0.4
145.10167	0.3
147.04396	0.3
149.06007	2.0
151.03932	1.5
151.07561	0.4
152.04683	2.2
153.06949	0.2
155.07004	0.3
155.08524	0.6
155.10616	0.4
157.10187	0.3
159.11685	0.4
161.05975	1.0
165.05515	0.4
165.09239	0.3
166.06273	0.5
167.07050	100.0
168.07385	0.9
168.09390	0.3
173.09569	0.4
181.08626	2.5
183.04359	0.4
183.11714	0.6
187.07542	0.3
193.08585	2.5
201.12683	0.6
205.98787	0.6
211.04057	0.3
211.09695	1.1
211.11386	0.4
211.16891	0.5
229.00240	0.3
229.04942	2.2
229.06779	0.4
229.08755	0.7
229.12222	1.8
229.15907	1.2
229.23642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01871	7.3
55.05527	9.0
56.05040	3.1
56.96556	2.9
58.06606	2.5
59.05004	2.7
60.04518	4.6
61.76384	1.8
67.05505	16.1
68.05042	2.5
68.99783	2.2
69.03428	5.3
69.07059	4.3
70.06598	3.3
70.24247	7.9
71.01331	2.3
71.04997	2.8
72.04511	7.8
74.06094	2.7
79.05500	17.9
80.05031	2.5
80.05820	5.6
81.03413	8.2
81.07069	9.3
82.06580	6.3
82.07389	3.7
83.04952	2.1
83.08610	3.9
84.04510	14.2
84.08118	2.9
86.06069	3.6
91.05480	3.6
93.07037	7.5
94.06584	14.6
94.07378	3.2
95.04967	13.0
95.08611	6.8
96.04494	4.0
96.05329	3.5
96.08120	2.3
97.02907	5.9
97.06535	2.6
97.10178	2.0
98.06071	10.0
99.04456	6.1
99.08082	3.4
100.03978	12.8
100.04668	1.6
100.11221	1.8
105.03403	4.8
107.01360	2.9
107.04962	31.4
107.08584	9.0
108.04504	3.7
108.05289	15.2
108.08933	3.4
109.02885	18.8
109.06469	2.3
109.10184	10.9
110.03683	20.8
110.06040	3.7
111.04450	10.3
112.07609	4.1
112.86105	2.0
115.03996	2.2
116.98648	2.6
119.08602	4.6
120.08908	2.2
121.02879	8.4
121.06521	2.2
121.10133	4.4
122.06037	57.1
122.10466	4.0
123.00770	3.3
123.04459	10.8
123.11696	1.9
124.03948	4.0
124.07590	5.6
125.02384	3.6
125.06009	6.3
126.03146	2.2
126.05517	36.5
127.03944	9.9
132.04469	4.8
132.08905	3.8
133.02852	5.5
133.10120	11.9
134.06053	3.8
134.10460	18.5
135.04430	3.8
135.11678	3.9
136.03958	9.1
136.12041	2.9
137.02345	43.6
137.06032	2.2
137.09627	3.5
139.03896	6.9
140.07050	15.7
148.12038	2.6
150.05504	71.2
150.13614	3.5
151.03912	15.8
151.06277	5.4
152.03429	5.0
152.07045	11.9
152.54832	2.0
153.01874	7.6
154.05011	9.6
154.08620	2.3
155.03401	13.1
158.47783	2.0
161.03033	5.3
164.07013	2.7
164.15256	2.5
165.05453	4.7
166.05893	12.0
166.08606	2.6
167.03400	5.3
168.06509	38.8
169.04984	38.8
170.04485	2.9
171.02950	4.1
174.13594	6.3
178.04999	100.0
178.13741	1.8
179.03416	10.0
179.05003	1.7
182.05341	2.0
182.08134	13.1
182.15430	2.5
184.06046	5.3
185.04463	2.6
192.06570	3.5
192.14714	10.5
193.04861	2.2
193.15814	3.1
196.06093	33.8
197.04503	4.3
207.10530	4.6
210.07599	43.5
210.15660	5.7
211.06071	16.9
211.17023	2.1
223.89299	1.9
228.08630	49.4
228.12163	2.6
228.16530	5.8
228.23174	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01866	2.6
55.05515	15.7
57.03414	3.9
57.07067	4.2
58.74085	0.9
59.05002	6.8
60.76849	1.0
65.03928	1.2
67.05171	1.1
67.05505	12.5
69.03435	5.3
69.07072	11.8
69.29532	10.4
71.04996	33.4
79.05494	8.2
81.03396	3.4
81.07059	20.6
82.06573	2.4
83.04996	6.8
83.08614	9.3
84.08133	1.7
85.02905	1.2
85.06542	11.7
87.04466	5.3
91.05489	9.3
93.06480	1.7
93.07051	30.7
95.04974	100.0
95.08612	20.5
97.02932	2.0
97.06534	18.6
97.10114	1.4
98.21529	2.1
99.04461	48.9
99.08111	11.2
100.09434	2.0
100.11268	18.8
103.05451	1.1
105.07035	13.0
107.04954	1.5
107.08601	28.3
109.06522	16.1
109.10161	12.9
110.06001	1.6
111.04433	3.5
111.08095	7.9
113.05972	3.2
113.09625	2.9
114.09200	1.1
115.05402	1.2
115.07587	7.1
117.07039	2.2
117.13808	1.3
119.01908	1.7
119.08579	9.1
121.06516	2.2
121.10152	23.8
123.08074	12.4
123.11721	17.7
124.22105	1.1
125.05936	1.5
125.09653	10.5
127.07565	7.3
127.08298	1.3
129.07042	2.2
131.08592	8.6
133.10133	38.6
135.08052	8.6
135.10870	1.0
135.11716	8.8
137.05869	1.4
137.09599	2.9
139.07512	6.5
139.11183	12.4
141.11470	3.9
145.10103	4.2
147.11719	10.4
149.09583	3.3
149.13255	14.6
151.11172	8.6
153.07916	1.4
153.09114	26.6
153.12732	1.2
154.12193	1.8
155.07018	1.5
158.10905	1.9
161.02950	2.5
161.13254	1.2
163.11134	3.4
163.14828	5.3
163.64409	2.3
165.12724	3.5
167.07074	18.9
167.08437	2.0
167.10643	1.9
167.14264	1.5
169.08595	2.6
169.12198	4.6
171.10172	11.9
172.15775	1.5
173.13274	16.9
177.05435	1.5
181.04897	1.9
181.08600	2.5
181.12102	1.2
182.15433	3.2
183.13829	7.6
191.10695	1.6
191.14316	17.7
195.08052	2.9
199.18047	3.2
209.08060	4.2
209.11765	4.4
209.15286	27.5
209.18315	1.3
210.14943	1.9
213.17850	9.9
213.67984	1.5
227.10617	4.7
227.12666	2.6
227.16383	65.7
245.58507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68026	0.9
50.75292	0.9
53.03930	1.1
55.01866	2.1
55.05303	0.9
55.05515	10.9
56.96572	5.7
57.03440	1.5
57.07061	3.2
57.98277	1.0
59.05005	2.3
61.46722	0.8
64.97285	0.9
65.03935	4.4
67.05504	6.9
69.03436	8.2
69.07069	16.0
70.17095	2.0
70.17490	1.7
71.04984	3.9
73.02912	2.5
73.80544	1.0
78.99757	0.8
79.05494	8.9
81.03421	2.0
81.07061	27.3
82.06542	1.3
83.04993	4.7
83.08640	4.7
84.04505	1.2
84.08141	4.3
84.96032	1.1
85.02891	3.4
85.06532	2.8
86.09711	3.4
87.04480	10.3
91.05484	100.0
93.07049	35.5
95.04976	8.3
95.08612	10.1
97.02874	1.7
97.06526	3.8
97.10152	2.4
98.97594	6.0
99.04444	2.8
99.08035	1.2
100.11265	15.5
101.06018	1.1
102.91007	1.1
103.05466	1.8
105.03395	2.2
105.07029	18.0
105.07684	1.9
107.04972	5.0
107.08598	13.5
109.06554	5.1
109.10152	4.6
110.97547	1.6
111.04429	1.9
111.08083	4.0
111.11702	2.9
112.99107	2.7
116.98637	5.8
117.07012	1.7
119.08572	3.7
121.06541	5.1
121.10146	55.2
122.10461	1.4
123.04434	1.5
123.08099	5.1
123.11711	48.3
124.05195	1.7
125.05981	1.4
125.09631	8.9
127.11159	1.3
128.98607	3.2
130.46019	1.0
131.00183	6.3
131.04904	1.8
131.08583	2.3
133.06511	6.1
133.07423	1.2
133.10141	7.4
134.99677	2.5
135.04425	1.0
135.08076	4.9
135.11679	3.6
137.05977	23.5
137.09612	2.1
139.07547	21.2
139.11168	3.4
140.04691	1.5
143.00151	3.5
145.10150	2.3
146.99644	4.0
147.11702	8.4
148.05183	1.2
149.01247	7.3
149.06017	4.7
149.09624	26.6
149.13223	3.0
150.06789	2.3
151.11183	22.9
153.05508	2.3
153.09090	4.0
153.12730	1.0
155.07068	1.3
158.99683	1.3
161.01219	4.5
161.02966	1.1
161.09543	1.3
163.07545	3.4
163.11116	2.0
163.14806	3.3
165.09157	4.5
165.12787	5.1
166.06236	1.1
166.16026	0.9
167.07051	78.2
167.10684	76.3
168.07455	1.5
170.99609	1.2
171.06491	1.1
173.01254	1.5
173.13258	3.8
177.00690	1.0
177.05424	5.9
179.02307	1.4
181.04970	4.2
181.08624	10.3
182.15356	1.2
183.09225	1.0
185.01262	5.4
189.00792	1.9
191.02274	2.9
191.10680	1.1
191.14285	6.7
194.05757	1.7
195.06490	1.5
203.02286	13.8
209.08096	17.1
209.11745	3.8
209.15147	5.9
213.17769	1.7
215.10239	1.3
219.01709	1.6
221.03368	3.1
227.07185	1.2
227.09134	2.6
227.12776	2.3
227.16397	6.0
227.17918	2.7
228.08400	0.9
231.29581	0.9
245.03351	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12733	2.6
53.03939	4.5
55.01881	6.0
55.05515	17.0
56.96589	3.0
57.03446	4.5
57.07076	6.6
58.06611	3.3
59.05003	5.2
59.06123	3.3
60.04518	7.9
65.03938	5.9
67.05521	14.2
69.03435	5.5
69.07069	30.3
70.06596	6.5
71.04993	18.1
71.57431	3.8
72.06883	2.8
72.08151	3.5
74.06088	4.2
79.05502	16.8
80.05006	4.0
80.67448	2.4
81.03425	6.5
81.07053	22.8
82.06599	5.8
83.04984	10.1
83.06122	5.5
83.08635	13.0
84.04528	6.1
84.08149	6.4
85.02914	3.8
85.06544	9.3
88.03971	3.2
91.05491	19.6
93.03412	3.2
93.07047	28.1
94.06576	9.9
95.04359	5.3
95.04975	100.0
95.08619	19.9
96.04512	5.9
97.02905	4.5
97.06548	21.8
97.10183	11.5
98.06055	4.2
99.04463	18.4
99.08109	21.3
102.05539	5.5
104.04997	3.1
105.03440	3.4
105.07037	8.1
107.04955	4.3
107.07432	3.0
107.08593	24.6
108.04524	4.7
108.08156	6.5
109.02877	8.0
109.06544	19.3
109.07646	3.9
109.10175	12.2
110.03661	2.9
110.06039	8.9
111.04451	18.9
111.05591	5.9
111.08106	7.1
113.06015	4.6
115.07563	14.3
116.89265	2.3
118.06560	7.0
119.04926	5.3
119.08572	7.4
120.04482	4.0
120.08111	3.8
121.02876	3.7
121.06511	11.2
121.07631	3.5
121.10137	19.4
122.06042	13.3
123.04416	12.2
123.05640	3.7
123.06809	4.0
123.08096	6.9
123.11717	7.0
124.04034	3.9
124.07567	2.8
125.05993	4.8
125.09644	7.6
126.05506	3.2
127.03954	4.7
127.07557	9.6
128.07121	3.7
131.08559	9.7
132.04454	3.5
132.35547	2.7
133.10133	25.0
134.06107	5.9
135.05542	5.6
135.08078	6.3
135.09187	3.7
135.11717	7.3
136.07597	16.0
137.02362	5.6
137.06015	6.8
137.07069	5.7
138.05544	3.7
139.03922	14.5
139.07652	3.1
139.08675	9.1
139.11182	10.8
140.04668	3.2
140.07060	4.7
145.07634	6.1
145.10201	4.1
146.06044	11.6
147.04417	6.0
147.11687	6.7
148.04048	15.1
148.05052	4.8
148.07558	4.7
149.05991	5.1
149.07083	8.8
149.09602	3.2
149.13274	11.4
150.05531	6.5
151.07532	3.4
151.11160	6.2
153.05510	3.1
153.09120	29.5
163.08667	10.8
163.11151	5.2
163.14832	5.0
164.03474	4.2
164.07085	17.3
165.06654	3.9
167.07031	41.0
167.08231	3.9
171.10188	11.2
173.07158	4.8
173.13268	13.4
174.05544	6.6
177.05432	12.6
181.04990	6.5
181.09801	6.4
181.12321	2.7
182.04593	3.8
182.08200	5.0
191.08237	11.1
191.10645	2.6
191.14343	12.4
192.06627	13.0
195.07742	3.5
200.09099	4.7
209.09474	28.0
209.11517	5.9
209.15329	19.8
210.07640	11.6
227.06973	6.7
227.10332	73.0
227.14288	3.4
227.16365	42.2
227.23824	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	227.1642
Annotation	Tanarifuranonol
Peak:m/z	Relative Intensity
55.05506	7.1
57.03420	4.8
57.07062	2.5
59.04985	5.5
63.46405	1.3
67.05505	8.1
69.03411	3.6
69.07050	7.9
70.77562	3.2
70.77967	3.0
71.04995	25.3
75.04482	2.3
79.05493	7.7
81.03389	1.9
81.07057	16.2
83.04967	4.4
83.08582	4.7
84.04499	2.4
85.02883	1.8
85.06544	9.6
90.78303	1.5
91.05467	7.7
93.07040	15.9
95.04967	100.0
95.08620	15.4
97.06528	18.5
97.10136	4.1
99.03838	2.5
99.04455	40.1
99.08104	19.4
100.11240	2.3
105.07028	14.0
107.08580	18.7
108.52778	1.7
109.06509	17.4
109.10147	11.7
111.08041	4.3
113.09624	3.4
114.05517	2.2
115.07555	6.2
117.06970	2.9
117.37511	1.4
119.01912	1.8
119.08599	9.6
121.06473	2.5
121.10139	21.9
123.08053	4.0
123.11722	7.6
125.09622	8.9
127.07565	10.9
128.95558	1.4
130.04958	5.1
131.08574	7.8
133.10130	42.0
135.08064	7.2
135.11668	6.6
137.09593	2.9
139.07507	1.7
139.11186	10.1
142.04971	1.4
143.01871	5.4
143.10655	6.5
145.10121	4.9
147.11697	7.3
148.05182	2.7
149.09564	3.7
149.13271	8.7
151.07579	1.7
151.11145	4.2
153.09085	29.2
155.07033	3.0
158.10992	1.9
158.20580	1.3
159.03804	1.5
161.02931	8.3
161.28470	1.6
163.07541	1.7
163.14835	8.3
165.12680	2.9
166.06258	2.7
167.07001	6.6
169.12224	2.3
171.10181	12.0
173.13272	22.5
177.05457	2.3
178.09892	7.1
181.04977	2.4
181.08620	20.3
183.13754	4.7
191.14299	16.0
194.09338	2.8
209.08101	1.7
209.11761	9.5
209.15343	23.2
227.12907	2.8
227.16388	61.2
228.16669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
52.21061	1.0
55.05507	3.0
56.96552	1.9
57.03426	4.4
57.07070	2.1
59.04984	1.4
60.55878	1.0
67.05505	5.2
69.03431	2.1
69.07064	5.4
70.66635	2.5
71.05001	9.4
71.39038	1.1
75.04475	2.9
76.42258	0.9
78.64755	1.0
79.05472	1.6
81.03406	1.3
81.07061	6.6
83.04991	1.7
83.08635	1.9
85.06544	1.1
91.05468	2.4
93.07056	6.9
95.04974	100.0
95.08614	8.5
97.02863	1.2
97.06540	14.6
98.20837	1.2
98.97589	9.4
99.04461	17.6
99.08089	8.3
100.11256	2.9
105.07042	5.0
107.08607	9.8
109.06528	13.9
109.10168	6.3
111.08089	3.2
115.07565	4.9
116.98623	3.1
119.01856	1.5
119.08600	6.7
121.10121	6.3
123.08072	1.9
123.11714	2.9
125.09615	1.7
127.07562	3.9
131.08600	1.8
133.10143	20.6
134.99663	1.1
135.08012	1.8
135.11702	4.6
139.11176	4.2
143.01831	1.2
145.10068	1.8
147.11664	2.3
149.13234	3.7
151.11165	2.1
153.09117	38.4
153.78165	1.0
158.99675	3.4
163.14787	1.9
167.07028	3.6
171.10204	5.4
171.11507	1.1
173.13254	7.6
175.14861	3.1
177.00684	5.6
191.14319	10.8
206.09642	1.6
209.08054	1.2
209.15361	22.4
210.14888	1.1
215.09346	5.3
226.60107	1.3
227.16324	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03934	1.4
55.01866	2.6
55.05515	15.7
57.03414	3.9
57.07067	4.2
58.74085	0.9
59.05002	6.8
60.76849	1.0
65.03928	1.2
67.05171	1.1
67.05505	12.5
69.03435	5.3
69.07072	11.8
69.29532	10.4
71.04996	33.4
79.05494	8.2
81.03396	3.4
81.07059	20.6
82.06573	2.4
83.04996	6.8
83.08614	9.3
84.08133	1.7
85.02905	1.2
85.06542	11.7
87.04466	5.3
91.05489	9.3
93.06480	1.7
93.07051	30.7
95.04974	100.0
95.08612	20.5
97.02932	2.0
97.06534	18.6
97.10114	1.4
98.21529	2.1
99.04461	48.9
99.08111	11.2
100.09434	2.0
100.11268	18.8
103.05451	1.1
105.07035	13.0
107.04954	1.5
107.08601	28.3
109.06522	16.1
109.10161	12.9
110.06001	1.6
111.04433	3.5
111.08095	7.9
113.05972	3.2
113.09625	2.9
114.09200	1.1
115.05402	1.2
115.07587	7.1
117.07039	2.2
117.13808	1.3
119.01908	1.7
119.08579	9.1
121.06516	2.2
121.10152	23.8
123.08074	12.4
123.11721	17.7
124.22105	1.1
125.05936	1.5
125.09653	10.5
127.07565	7.3
127.08298	1.3
129.07042	2.2
131.08592	8.6
133.10133	38.6
135.08052	8.6
135.10870	1.0
135.11716	8.8
137.05869	1.4
137.09599	2.9
139.07512	6.5
139.11183	12.4
141.11470	3.9
145.10103	4.2
147.11719	10.4
149.09583	3.3
149.13255	14.6
151.11172	8.6
153.07916	1.4
153.09114	26.6
153.12732	1.2
154.12193	1.8
155.07018	1.5
158.10905	1.9
161.02950	2.5
161.13254	1.2
163.11134	3.4
163.14828	5.3
163.64409	2.3
165.12724	3.5
167.07074	18.9
167.08437	2.0
167.10643	1.9
167.14264	1.5
169.08595	2.6
169.12198	4.6
171.10172	11.9
172.15775	1.5
173.13274	16.9
177.05435	1.5
181.04897	1.9
181.08600	2.5
181.12102	1.2
182.15433	3.2
183.13829	7.6
191.10695	1.6
191.14316	17.7
195.08052	2.9
199.18047	3.2
209.08060	4.2
209.11765	4.4
209.15286	27.5
209.18315	1.3
210.14943	1.9
213.17850	9.9
213.67984	1.5
227.10617	4.7
227.12666	2.6
227.16383	65.7
245.58507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01871	14.8
55.05519	18.8
56.96562	2.6
57.03435	6.5
57.07071	8.0
59.04998	3.0
60.07496	2.6
61.02940	2.3
64.62511	2.0
67.05495	12.1
68.99809	2.6
69.03431	12.1
69.07070	19.0
70.06618	4.9
71.05000	22.5
71.10693	4.0
73.02926	16.0
79.05517	11.2
81.03413	4.4
81.07066	21.0
83.01351	2.3
83.04990	8.4
83.08624	14.8
84.08157	2.6
85.02910	8.0
85.06544	7.3
86.09698	9.0
87.04500	2.1
91.05482	13.5
93.07050	25.6
95.04977	100.0
95.08603	17.5
97.02893	4.8
97.06542	25.2
97.10184	5.9
98.97598	4.7
99.04466	16.9
99.08105	24.6
100.11263	56.0
101.02388	7.9
103.05495	3.8
105.07043	14.6
107.04985	3.8
107.08594	24.4
109.02911	4.7
109.06508	22.4
109.10159	11.2
110.03716	2.0
111.04472	4.3
111.08090	9.4
111.11741	3.2
113.06016	3.0
113.09619	3.2
115.07585	22.4
115.23795	2.1
116.98603	4.4
117.07091	2.2
119.01878	3.1
119.08588	10.5
121.06525	5.6
121.10155	40.4
121.81135	2.4
123.04410	5.3
123.08071	7.2
123.11742	10.6
125.02386	2.3
125.06000	5.6
125.09662	14.0
127.03925	76.4
127.07549	9.8
131.04976	3.0
131.08603	9.4
133.10132	33.3
134.99690	4.0
135.08054	9.1
135.11702	7.6
137.05984	3.5
137.09637	4.5
138.03050	2.2
139.03914	4.7
139.07576	2.3
139.11200	10.3
139.79503	2.1
140.04703	13.3
143.03410	8.0
143.10632	3.5
145.10117	4.0
147.11694	9.9
149.06007	8.4
149.09608	8.5
149.13268	7.5
151.11203	8.3
153.01842	41.9
153.05560	14.1
153.09109	35.6
155.07057	20.1
161.02974	6.1
163.03931	16.2
163.11165	3.2
163.14896	11.4
166.57538	2.1
167.03442	17.9
167.07042	39.2
171.10161	12.0
173.13281	20.4
177.05482	11.7
181.04971	95.9
191.03372	3.7
191.14326	21.1
195.06419	2.8
201.80885	2.4
209.04468	88.1
209.07904	17.5
209.15427	17.6
210.04887	3.0
210.14873	2.7
215.05769	2.9
227.07112	4.1
227.08875	9.8
227.16139	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	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03935	1.9
55.01861	1.5
55.05515	6.7
56.96564	6.0
56.96818	0.9
57.02232	1.0
57.03418	4.3
57.07063	2.8
59.04990	2.5
67.05492	4.8
69.03445	5.1
69.07071	6.4
69.70520	1.9
69.70927	6.4
70.06580	1.6
71.05000	12.9
72.08179	1.2
73.02910	2.8
73.06533	2.1
75.04459	2.0
79.05465	4.5
81.03410	4.8
81.07059	12.2
83.04987	4.8
83.08630	5.2
84.08135	1.4
85.02905	1.2
85.06557	6.5
85.07656	1.1
87.04436	1.7
91.05489	5.1
93.07053	12.3
95.04974	100.0
95.08597	9.1
97.02867	3.1
97.06535	13.0
97.10138	3.1
98.97574	6.8
99.03948	1.2
99.04469	15.4
99.08105	17.4
100.11250	12.2
103.05455	2.3
105.07039	7.0
107.04923	3.8
107.08598	14.8
109.06538	12.5
109.10176	5.6
110.03667	1.6
110.84798	1.1
111.04435	1.9
111.08056	4.2
115.07540	3.9
116.98621	3.7
119.08581	5.8
121.06475	4.1
121.10155	12.1
123.04397	3.3
123.08043	3.4
123.11668	4.5
125.05980	2.3
125.09635	10.1
127.03893	2.3
127.07559	7.0
128.02299	1.6
128.98607	1.6
131.08530	4.1
133.10132	21.6
134.99660	2.3
135.08015	3.8
135.11702	5.4
137.05948	2.1
137.09550	1.4
139.03865	4.0
139.11143	5.9
140.04668	2.1
141.12839	1.1
141.70326	1.0
143.10727	5.2
145.10114	1.6
146.99591	1.2
147.11728	5.7
148.05171	2.4
149.05923	4.1
149.09624	1.6
149.13228	4.6
151.03920	6.3
151.07474	1.7
151.11145	3.8
153.05466	3.4
153.09125	31.2
153.12662	1.1
155.07002	4.2
158.99663	1.9
161.02928	2.0
163.07492	2.5
163.11197	1.7
163.14787	3.5
165.12694	1.7
167.07062	15.9
171.10161	15.3
173.05965	1.4
173.13258	9.9
174.02495	1.8
177.00690	3.0
177.05457	2.8
179.00150	1.3
181.04979	5.7
182.15404	1.0
183.03029	4.7
186.05386	1.0
191.14340	8.7
192.03633	2.0
194.05748	2.0
195.06459	4.6
195.10147	1.4
197.01157	3.5
203.54501	1.2
206.08757	4.6
206.58873	1.5
207.05925	1.9
209.08104	16.0
209.15276	19.2
212.04303	1.0
215.02203	1.7
215.09177	1.4
216.06503	4.9
226.60065	1.5
227.07048	1.8
227.09065	4.2
227.12868	2.0
227.16376	41.8
227.57172	1.5
230.96333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01868	6.5
55.05511	16.7
56.05033	3.3
56.96560	5.0
57.03426	5.8
57.07076	4.6
58.06583	1.3
59.04993	2.9
59.06115	2.2
61.02918	2.7
65.03931	2.4
65.27897	1.2
67.05505	9.9
68.51085	1.1
68.88229	1.1
68.99786	1.5
69.03434	12.4
69.07063	14.0
70.02975	1.3
70.06602	6.0
71.04996	14.9
71.08657	1.5
71.38518	2.0
71.38885	1.7
72.04525	2.2
73.02924	4.7
78.04708	2.7
79.05491	13.7
81.03435	6.8
81.07060	17.1
82.06581	2.3
83.04982	7.7
83.08620	8.8
84.04504	1.7
84.08154	3.9
85.02898	7.6
85.06549	5.8
85.07661	1.3
86.09687	3.5
87.04458	1.6
89.03909	1.3
91.05476	14.8
91.31705	1.1
93.03423	1.4
93.07044	19.1
94.06567	1.3
95.04971	83.8
95.08601	16.2
96.04559	1.3
97.02884	8.2
97.06527	11.3
97.10170	3.8
98.06049	2.1
98.97601	5.0
99.04456	9.9
99.08092	15.7
100.07663	1.5
100.11265	31.3
103.05475	8.2
105.03371	1.4
105.07025	11.3
106.04171	1.6
107.04955	8.5
107.08590	18.8
109.02862	2.2
109.06532	17.6
109.10152	11.1
110.06003	1.3
111.04430	5.0
111.08094	5.6
113.09705	1.9
115.05569	1.2
115.07562	9.4
116.98644	6.3
116.99319	1.3
117.07014	1.6
119.01815	1.3
119.04976	2.3
119.08589	6.9
120.08102	2.0
121.02895	1.7
121.06519	15.7
121.10148	20.1
122.03654	1.9
122.06023	3.3
123.02020	1.9
123.04413	12.2
123.08070	6.6
123.11720	4.5
124.05202	3.5
125.02431	1.7
125.05991	2.6
125.09644	12.1
127.03938	3.4
127.07574	7.7
128.98558	1.7
131.00293	1.4
131.04962	5.8
131.08591	6.9
131.31091	1.1
133.02879	1.8
133.10132	22.6
134.03622	1.7
134.99667	4.4
135.04408	3.5
135.08064	5.1
135.11722	6.4
136.05180	2.8
136.07584	4.4
137.05989	10.5
137.09630	3.6
138.05510	1.2
139.03885	2.5
139.07582	2.6
139.11186	8.7
140.04692	4.5
143.08601	1.7
143.10674	3.0
145.10146	4.2
146.05989	2.2
146.99670	3.0
147.04428	2.6
147.11707	5.0
148.05197	5.1
148.07571	6.8
149.02309	1.4
149.04906	2.0
149.05983	18.7
149.09625	5.7
149.13260	5.9
151.03888	3.8
151.07545	5.1
151.11156	5.4
152.04608	1.3
153.01772	1.8
153.05496	7.1
153.07117	1.2
153.09111	27.3
155.07042	5.2
158.99617	2.0
159.04427	2.9
161.01297	1.2
161.03072	1.4
163.03908	2.6
163.11156	2.7
163.14883	4.7
164.07011	6.0
165.05475	3.5
165.12782	1.6
166.06223	3.1
166.08685	2.8
167.03314	2.8
167.07042	100.0
167.10741	3.0
168.07384	2.6
169.08630	1.4
171.07968	1.4
171.10173	11.0
173.13266	10.6
174.05469	1.4
177.00723	3.3
177.03156	2.3
177.05486	28.5
178.06171	2.5
179.07021	1.3
181.04984	9.2
181.06473	2.8
181.08617	3.3
182.08202	1.2
182.15305	6.5
183.06543	1.3
184.13354	5.3
186.03590	1.8
191.10695	2.1
191.14308	15.0
192.06570	3.2
192.10251	1.4
193.05040	1.5
194.05722	4.5
195.06499	6.7
199.07503	7.6
207.04109	10.3
207.54259	1.5
209.04465	3.6
209.06212	1.5
209.08006	19.7
209.11606	2.0
209.15114	13.6
210.07864	1.5
210.11334	3.1
210.14877	9.3
216.04666	10.8
216.06487	1.6
218.54974	1.5
227.07178	9.7
227.09016	4.1
227.10550	5.3
227.16141	33.0
227.55542	3.1
237.02820	1.9
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
52.06879	0.5
53.03942	1.2
55.01860	0.7
55.05518	4.0
55.28328	0.5
56.02646	0.8
56.19166	0.5
57.03465	0.7
57.07076	2.0
65.03949	0.7
67.05507	18.6
69.03426	0.6
69.07077	2.9
70.72281	1.9
71.04994	100.0
71.08624	1.3
74.96947	0.5
79.05491	7.9
81.03466	0.6
81.07058	28.9
83.04993	1.9
83.08606	2.7
85.06557	2.4
91.05479	5.3
93.07047	14.5
95.04980	2.3
95.08610	13.7
97.06546	3.9
97.10165	1.0
99.08091	0.8
100.11283	2.7
103.05503	0.7
105.07039	3.0
107.08597	6.9
109.06533	1.9
109.10165	1.6
111.08108	1.5
117.07034	4.3
119.08601	1.4
121.06556	1.6
121.10148	2.0
123.04447	0.7
125.09666	1.5
127.07594	0.9
129.06990	0.7
131.08554	4.3
133.10139	4.1
135.08060	1.0
135.11699	9.9
136.45667	0.6
137.06015	0.7
145.10179	1.0
149.05991	0.9
149.09726	0.7
149.13275	6.6
153.09134	0.6
153.12817	0.8
155.08685	0.6
157.10220	0.5
159.11703	7.4
163.11176	1.2
167.07051	8.4
167.08366	0.8
177.05505	2.3
177.12776	3.5
184.63411	0.5
186.22229	3.4
189.11279	0.9
191.10750	0.8
191.14272	0.6
195.13887	1.9
209.08162	1.3
209.11790	1.5
209.15271	2.6
227.07133	0.8
227.10666	1.0
227.12564	2.9
227.17885	2.1
229.69292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03934	2.9
55.01870	27.7
55.05510	18.3
56.96555	6.4
57.03429	4.3
57.07061	6.0
65.03951	2.4
67.05170	2.9
67.05505	36.6
69.03422	3.2
69.07064	10.9
71.04989	6.1
71.08627	2.2
71.57722	2.0
73.02917	2.4
76.97180	1.6
78.04693	1.6
78.77316	1.3
79.05492	23.7
79.32237	1.6
79.59261	1.5
81.03423	2.4
81.07053	28.2
81.75179	1.3
83.04980	61.5
83.08613	11.8
85.02916	4.2
85.06526	6.8
91.05480	15.8
93.03415	1.6
93.07043	35.6
95.04977	9.1
95.08604	19.1
97.06540	14.7
97.10149	4.1
98.97581	17.1
99.04443	6.7
99.08102	3.0
100.11261	9.6
103.05470	4.5
105.07026	9.3
107.04976	9.8
107.08595	29.2
109.06499	4.1
109.10175	18.4
111.04446	100.0
111.08076	29.9
116.98615	17.2
117.07018	6.1
119.08585	13.5
121.06519	12.4
121.10135	18.8
123.04421	5.8
123.08076	2.4
124.05220	1.9
125.05994	5.5
125.09615	3.6
129.05484	3.7
129.06984	2.8
131.04892	5.1
131.08582	8.2
133.10127	4.0
134.99629	11.8
135.08060	3.0
135.11705	34.3
136.11972	2.0
137.05981	7.1
139.07521	1.7
139.11168	2.3
140.00238	1.8
140.04698	2.1
143.08531	2.9
145.10132	18.2
146.99684	2.2
147.11681	7.8
149.05959	13.6
149.09660	8.3
153.09085	1.9
153.12749	52.9
155.07121	4.7
155.08562	4.2
158.01247	2.1
158.99646	5.0
159.04453	2.2
163.11180	52.6
167.07043	69.2
171.11647	1.8
173.09598	10.1
177.00684	8.2
177.05449	17.8
181.04927	2.4
181.12236	69.5
184.08717	2.2
188.07747	2.6
189.11258	2.6
189.16365	2.4
191.10686	39.7
200.02249	1.8
209.08096	11.2
209.11702	16.7
209.15187	2.1
227.07042	2.6
227.10568	2.8
227.12682	39.2
227.17821	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	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
55.01860	6.0
55.05308	1.3
55.05513	13.1
57.03452	1.6
57.07069	1.4
58.97799	1.3
67.05507	15.7
69.07059	7.4
71.04987	2.9
73.02915	2.8
77.65114	1.2
79.05495	21.7
81.03417	2.3
81.07063	21.8
83.04974	5.8
83.08624	9.6
91.05478	4.8
93.06476	2.1
93.07045	32.7
95.04981	5.2
95.08611	38.6
97.02882	4.6
97.06533	4.3
99.04449	4.1
105.07040	7.6
107.04955	9.2
107.08605	25.6
109.06519	1.7
109.10165	3.4
110.24294	1.5
111.04414	3.2
111.08063	2.0
115.63000	1.6
117.07023	6.3
119.08615	8.8
121.06523	8.1
121.10152	13.2
125.05981	3.0
130.07785	1.8
133.10167	2.2
135.08067	2.4
135.11697	51.2
139.07565	1.5
145.10133	24.6
151.46768	1.3
153.12718	2.2
163.11185	70.7
167.07060	8.9
167.62735	1.3
173.09547	1.3
177.05469	1.6
181.12221	15.7
188.15253	1.4
194.29509	1.4
209.11700	1.7
227.12787	100.0
229.17018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03937	2.2
55.01871	28.6
55.05513	16.5
56.96554	2.5
57.03428	5.0
57.07068	2.9
59.04996	2.8
62.51606	1.6
64.74711	1.5
65.03926	3.1
67.05504	38.9
69.03405	1.9
69.07062	13.9
69.97465	7.5
71.04989	8.9
71.08592	1.4
73.02928	2.0
79.05491	23.2
81.03418	2.5
81.07056	27.7
83.04984	75.4
83.08613	12.9
85.02896	7.3
85.06547	4.8
85.85378	1.3
91.05476	14.0
93.03401	1.8
93.06470	1.8
93.07045	33.8
95.04971	11.8
95.08609	10.5
97.06538	18.8
97.10181	4.5
98.21436	1.6
98.97578	6.7
99.04445	7.5
99.08097	3.2
100.11246	9.8
101.02361	1.7
103.05446	1.5
104.98192	1.4
105.07016	6.3
107.04942	6.0
107.08589	22.1
109.06524	5.0
109.10152	21.1
111.04444	100.0
111.08082	36.7
116.98657	4.5
117.07011	5.9
119.08572	8.8
121.06505	6.7
121.10143	19.1
123.04439	2.8
123.08076	1.4
123.11663	2.4
125.05983	5.9
125.09643	4.2
127.11179	2.3
128.02295	1.8
129.05490	3.9
129.07014	2.3
131.04910	1.7
131.08582	11.6
133.10114	3.3
134.99698	2.3
135.08034	3.7
135.11687	31.3
137.05948	4.0
137.09622	2.2
139.07559	1.8
139.11148	2.0
140.04674	1.6
145.10117	19.0
147.11682	5.7
149.05986	3.9
149.09572	7.1
153.09105	3.6
153.12741	65.6
155.07007	2.1
155.08661	1.7
157.10097	1.8
158.99707	2.6
163.03793	1.8
163.11188	57.7
167.07048	26.4
167.08444	1.9
169.08620	6.4
173.09645	10.2
175.14900	1.8
177.00734	2.8
177.05463	7.5
181.04967	3.6
181.12234	67.6
181.53690	2.0
191.10664	44.0
194.56084	3.8
195.08191	2.9
195.10197	4.5
203.56689	3.6
209.08093	4.1
209.11682	17.6
227.06985	3.4
227.10616	8.7
227.12685	37.5
227.17805	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03940	1.9
55.01624	1.9
55.01874	27.4
55.05513	20.2
56.96570	1.4
57.03426	2.9
57.07071	3.8
59.05008	2.1
60.95837	2.6
63.49572	0.9
65.03931	1.7
67.05176	2.1
67.05510	37.4
69.03407	2.1
69.06723	1.1
69.07074	13.4
71.05000	6.2
71.33842	2.5
73.02925	1.3
79.05499	23.2
81.03387	1.0
81.07060	25.5
83.04987	64.8
83.08630	12.7
85.02893	3.6
85.06548	5.6
91.05485	17.0
93.06466	1.9
93.07050	33.7
95.04970	7.8
95.08614	16.6
97.02921	1.4
97.06544	14.7
97.10185	7.2
99.04444	5.1
99.08073	3.8
100.11263	7.5
100.90625	1.0
103.05459	3.4
105.07040	8.4
107.04964	4.1
107.08605	20.6
109.06523	3.4
109.10168	16.4
111.04453	100.0
111.08083	32.1
117.07030	12.0
119.08594	11.7
121.06519	8.1
121.07818	1.2
121.10153	18.8
122.84071	1.1
123.04430	2.5
123.08095	1.1
123.11691	1.4
125.05981	3.4
125.09629	4.9
128.06262	1.2
129.05475	3.7
129.06998	9.2
130.07726	1.8
131.04944	2.7
131.08580	15.9
133.10143	6.1
135.08075	3.3
135.10675	2.2
135.11694	30.1
137.06001	3.5
139.07541	2.1
142.07800	2.0
143.05466	1.1
143.08588	8.8
145.02800	1.2
145.09053	1.5
145.10127	23.6
147.11748	5.4
149.05966	5.6
149.09602	6.5
153.12758	63.8
155.07100	1.3
155.08516	2.9
156.09354	1.9
157.10144	10.9
159.11700	6.1
163.11198	53.2
167.07053	41.2
167.08202	0.9
168.55496	1.4
169.10129	1.5
171.08093	1.3
171.11674	11.2
173.09618	11.3
173.13268	2.1
177.05511	11.1
181.04926	2.5
181.12245	66.5
183.08546	2.8
185.13278	8.9
185.58453	1.6
189.11198	1.7
191.07104	1.3
191.10686	37.3
192.09032	1.4
194.58939	3.0
198.13843	1.0
199.14865	2.7
203.59470	1.1
209.08078	5.6
209.11752	15.6
227.07011	3.3
227.10617	2.5
227.12735	47.8
227.17937	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.03635	0.5
51.80358	0.5
53.03936	1.9
55.01856	1.8
55.05301	0.6
55.05516	7.0
56.96563	7.6
57.03421	1.6
57.07073	2.0
59.76858	0.6
61.02920	1.4
62.60217	0.6
63.46847	0.6
64.16311	0.7
65.03955	0.9
67.05497	2.8
69.03434	4.0
69.07069	5.0
70.06596	3.2
70.13549	3.1
71.01340	0.9
71.04987	2.3
71.08627	0.8
72.08151	1.1
73.02911	2.5
73.06549	2.1
78.04700	2.3
79.05494	4.7
81.03414	2.6
81.07054	3.5
82.06597	0.8
82.59451	0.6
83.04971	1.8
83.06100	0.8
83.08624	3.8
84.04525	1.3
84.08132	2.5
85.02928	3.5
85.06528	1.0
86.09709	0.6
87.04480	1.0
89.03930	0.8
91.05485	6.4
93.03376	0.7
93.07053	5.6
95.04984	5.4
95.08611	2.4
97.02904	4.2
97.06522	2.6
97.10162	2.5
98.97591	4.9
99.04453	0.6
99.05566	0.8
100.11259	1.6
103.05463	6.2
105.07020	1.1
106.04179	1.5
106.83838	0.6
107.04954	5.5
107.08607	2.3
108.08109	0.9
109.02888	2.4
109.06512	1.8
109.10123	0.9
110.07156	1.2
111.04450	1.7
111.05557	0.6
111.08028	0.7
111.11784	0.7
112.07560	1.1
113.05900	0.7
115.03892	0.7
116.07111	0.7
116.98643	4.3
117.03338	0.9
119.01881	1.8
119.04966	1.2
120.05853	0.6
121.06516	11.0
121.10141	2.6
122.03632	1.2
122.06064	0.7
123.04447	7.3
123.08067	1.0
124.05207	1.9
125.06026	1.0
125.09667	1.3
128.98619	1.3
130.05026	0.7
131.04951	4.6
131.05771	0.9
133.02814	0.7
133.10078	1.0
134.03641	1.2
134.99655	2.7
135.04436	2.9
135.11719	1.1
137.02357	0.7
137.05978	8.3
139.03871	1.0
139.07527	1.6
140.02260	0.8
140.04691	3.3
145.02884	0.8
146.99654	2.3
147.03268	1.2
147.04424	1.5
148.05202	1.6
149.04773	1.0
149.05980	15.4
149.07051	1.3
151.03960	1.5
152.04677	2.2
152.07140	0.7
153.00659	0.8
153.05495	2.3
155.04659	7.6
155.07042	2.3
155.08315	0.6
155.54800	0.8
156.03363	2.1
157.10150	0.8
158.99710	1.6
159.04443	4.1
161.01210	1.9
161.04698	0.7
163.03928	1.9
163.07539	1.1
163.11194	1.0
164.05196	6.3
164.07088	1.1
164.55426	0.8
165.04338	1.8
165.05521	1.2
166.55489	1.7
167.07053	100.0
168.07610	1.0
174.04425	7.4
175.56010	1.0
176.04713	1.3
177.00694	2.9
177.05475	30.6
180.07884	0.7
181.05019	1.2
181.09885	1.1
182.03271	0.7
186.04503	5.0
189.00731	0.8
191.06993	1.7
191.10684	0.9
192.03671	0.7
192.05447	1.9
194.05750	1.1
204.05515	9.5
207.05408	0.9
209.08096	8.8
209.11639	1.1
209.15387	1.4
219.01733	1.4
222.06351	1.0
227.06941	8.6
227.08852	1.2
227.10367	2.7
227.14186	1.5
227.17831	1.3
227.19986	0.9
227.23685	0.8
228.05362	1.4
237.02827	1.3
246.06587	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.24960	1.1
53.03939	2.4
55.01876	6.8
55.05520	10.0
56.96557	2.4
57.03436	2.5
57.07076	2.5
59.04996	1.2
62.66331	1.3
67.05499	5.9
69.03411	4.7
69.07074	8.6
70.84814	2.5
70.85155	1.6
71.04997	8.0
73.02914	2.0
79.05491	10.8
81.03413	2.4
81.07058	10.1
83.01323	3.6
83.05000	6.1
83.08611	5.5
84.04510	2.6
85.02896	2.1
85.06545	6.1
86.09702	1.8
87.04503	1.5
91.05484	11.9
93.03368	1.5
93.07043	16.9
95.04977	18.6
95.08626	7.2
97.02887	3.7
97.06546	8.3
97.10170	1.4
98.97565	3.0
99.04462	19.1
99.08109	15.4
100.11266	17.5
101.06011	4.4
103.05468	7.4
105.03399	2.8
105.07037	8.5
107.04287	2.2
107.04962	30.5
107.08588	18.8
107.60983	1.2
109.02882	4.4
109.06535	7.2
109.10155	8.3
110.97551	2.1
111.04462	1.4
111.08065	3.6
113.09628	1.4
115.07563	5.6
116.98597	1.8
117.07035	1.5
119.08572	4.2
121.06526	18.0
121.10149	21.2
123.04453	8.1
123.08082	5.2
123.11701	6.0
125.06026	10.9
125.09586	6.2
127.03912	5.3
128.98584	1.5
131.04926	4.4
131.08568	4.9
133.02834	2.2
133.10132	22.8
135.04436	3.0
135.08057	8.1
135.11691	3.9
137.05992	4.1
137.09581	3.9
139.03903	2.1
139.07542	5.0
139.11205	4.1
140.04712	2.0
143.08563	1.9
145.06511	4.3
145.10136	3.6
147.11745	3.0
148.05182	10.4
149.05988	16.7
149.09650	16.5
149.13264	8.8
151.03929	6.5
151.11221	7.0
153.01852	33.9
153.05466	19.5
153.09116	5.6
154.12256	3.9
155.07045	2.8
158.10855	1.6
159.04439	2.5
161.02998	2.2
163.07573	9.9
163.11194	3.6
163.14839	6.0
165.05496	14.4
165.12828	2.1
167.07051	50.6
167.10680	1.3
169.08632	3.0
171.10143	1.4
171.14958	6.6
173.05980	5.9
173.13319	8.7
176.04764	1.8
177.05486	17.0
181.04933	3.1
181.08557	4.5
181.15855	1.5
183.13850	3.4
191.07056	7.7
191.14322	15.8
191.48930	1.5
194.05769	10.0
195.06519	24.7
195.08214	1.6
209.08110	100.0
209.15334	32.7
227.08974	13.6
227.12779	2.8
227.16083	2.0
227.17513	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03938	1.0
55.01861	1.7
55.05294	0.5
55.05511	5.1
56.05029	0.5
56.05879	0.5
56.96567	7.0
57.03434	1.2
57.07064	0.7
59.04985	0.4
59.06102	0.5
59.40782	0.4
63.31265	0.5
65.03928	0.8
67.05494	1.9
69.03423	2.8
69.07076	3.5
70.06594	4.8
71.01321	0.5
71.04987	1.1
71.08630	0.5
71.59852	0.6
72.08170	1.0
72.93771	0.5
73.02908	2.0
73.06554	1.8
74.06840	0.4
75.26325	0.4
78.04704	1.7
79.05490	3.5
81.03412	1.9
81.07028	2.2
83.04967	1.3
83.06084	0.7
83.08604	2.2
84.04493	1.1
84.08127	1.9
85.02902	4.3
85.06537	0.6
86.09723	0.5
87.04456	0.6
88.15549	0.4
89.03931	0.9
91.05479	5.5
93.07052	4.3
94.06540	0.9
95.04980	4.1
95.06020	0.6
95.08592	1.7
97.02880	3.0
97.03985	0.4
97.06484	0.6
97.10172	1.4
98.06022	0.9
98.97595	4.3
99.04478	0.6
99.08087	0.5
100.11232	0.9
103.05461	6.2
105.03417	0.6
106.04161	2.0
107.04956	4.1
107.08572	1.3
109.02862	1.0
109.06511	1.3
109.10112	0.7
110.06042	0.4
110.07188	0.6
111.04443	1.5
111.05560	0.6
111.08037	0.7
112.07597	0.4
112.63449	0.4
114.05482	0.4
115.08676	1.1
116.98610	3.5
117.03352	0.8
118.06602	0.5
119.01840	1.5
119.04914	1.9
119.08566	0.7
120.05699	0.7
121.02879	0.8
121.06512	11.0
121.10146	1.2
122.03638	1.4
122.06031	0.6
122.19765	0.5
123.04431	8.5
124.05222	3.2
124.07603	0.7
124.99066	0.4
125.05986	0.7
127.03896	1.0
127.07578	0.5
128.02336	1.2
128.98604	1.3
131.01871	0.5
131.04932	5.6
131.96236	0.4
132.04439	1.3
133.02817	0.7
134.03639	1.4
134.06007	0.9
134.99654	2.2
135.04369	2.2
135.08104	0.8
135.11734	0.8
136.03825	0.5
136.07593	0.8
137.02361	1.4
137.05989	7.3
138.05487	0.9
139.03897	1.1
140.04669	2.1
140.07066	1.1
145.02824	1.0
145.10118	0.6
146.04132	0.7
146.99664	0.6
147.03304	0.8
147.04417	1.2
148.04013	0.8
148.05193	1.8
149.02359	0.5
149.05986	13.7
149.07019	0.6
150.05464	1.0
151.03967	2.2
151.07510	0.6
152.04710	2.4
152.07042	1.2
153.01871	0.7
153.05470	1.2
153.10240	1.5
155.04655	8.7
155.07024	1.9
155.54774	0.5
156.03328	1.6
158.01234	0.5
158.99667	1.8
159.04430	3.5
161.01245	1.5
161.02805	0.4
162.99217	0.7
163.03938	1.6
163.07471	0.5
164.03745	0.6
164.05150	4.0
164.07062	1.6
165.04259	0.6
165.05475	1.3
166.55475	2.1
167.07042	100.0
168.07486	1.3
170.99733	0.5
173.02957	0.7
174.04384	4.3
175.55962	0.9
176.04788	0.7
177.00735	2.0
177.05472	26.2
178.05997	0.7
181.00150	0.5
181.03169	1.0
181.04922	0.9
181.08463	0.7
181.09840	4.1
183.06602	0.6
184.06071	0.5
185.01271	1.0
186.04425	4.1
191.07004	1.2
192.03561	0.5
192.05153	0.7
192.06599	1.5
194.05748	1.6
195.06532	0.9
197.08104	0.5
203.02274	0.7
204.05460	5.9
209.08092	7.7
209.11464	0.6
209.15254	1.1
210.04535	0.9
210.07693	0.5
216.04662	0.8
219.01857	1.0
222.06580	0.5
223.01152	0.8
227.06856	6.3
227.10583	4.7
227.14066	1.1
227.19977	0.6
227.56992	1.6
228.05321	0.9
228.08684	0.6
237.02818	0.8
246.06493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
55.01857	1.1
55.05510	9.2
56.96568	0.4
60.95827	0.3
66.26110	0.3
67.05492	0.5
69.07041	0.3
70.63634	0.6
73.02911	0.8
79.05495	0.6
81.07082	0.6
82.06566	3.4
83.04978	2.0
83.08614	4.8
91.05469	0.8
91.58103	1.3
93.07059	0.4
95.04933	0.5
95.08580	0.6
96.05726	0.3
98.09657	0.4
98.97572	1.5
100.07600	1.1
100.09455	2.3
100.11253	29.3
101.11577	0.7
103.05395	0.4
105.07011	0.9
107.04963	0.8
107.08577	0.4
107.27435	0.4
109.06475	0.5
109.10103	0.5
110.06040	2.8
111.04448	1.6
111.08090	0.7
112.07579	0.5
114.09127	0.7
116.98592	0.9
117.13894	1.2
121.06526	0.6
123.04459	0.4
124.05175	1.3
126.09162	0.4
128.07036	1.0
135.08058	1.5
137.06000	0.3
139.07539	30.0
140.07974	0.3
141.11488	3.7
141.61667	0.7
154.12265	1.0
154.77901	0.3
155.11221	0.6
158.99599	1.0
163.07515	0.5
163.64384	2.5
166.06239	2.0
167.07036	100.0
168.07353	1.6
172.15672	0.8
177.00725	0.4
179.92551	0.3
181.08586	8.0
181.10182	0.4
182.15378	4.6
197.05647	0.3
199.18068	2.0
200.18547	0.3
209.08092	14.2
209.16469	3.0
210.14871	1.6
213.17775	5.5
213.67789	0.8
215.09496	0.6
225.15924	0.6
227.09058	3.1
227.17552	6.0
227.19618	0.5
244.20128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.03950	0.4
55.01872	1.7
55.05512	2.7
57.03423	0.5
57.07081	0.3
59.05002	0.2
63.71610	0.2
65.03934	0.4
67.05505	1.7
69.03429	1.1
69.07070	1.2
70.06598	0.2
70.61052	0.8
70.83498	0.2
71.04996	5.2
73.02919	0.5
79.05492	2.0
81.03416	0.5
81.07059	2.4
82.06577	0.3
83.04993	1.1
83.08622	1.2
85.02903	0.5
85.06535	1.7
87.04425	0.2
91.05483	1.1
91.58121	0.2
93.07050	2.5
93.17808	0.2
95.04970	4.5
95.08614	2.2
96.05734	0.3
97.02874	0.7
97.06543	1.0
97.10162	0.7
98.97569	0.2
99.04458	11.6
99.08086	0.6
100.09412	0.3
100.11258	4.2
103.05466	0.6
105.07030	2.2
107.04981	1.1
107.08589	3.7
109.02886	0.4
109.06535	1.5
109.10156	1.9
110.06064	0.3
111.04477	0.3
111.08104	1.6
113.09670	0.4
115.07590	0.3
117.07014	0.2
119.01933	0.3
119.04892	0.2
119.08576	0.9
121.06530	1.4
121.10133	1.9
123.04398	0.3
123.08081	1.2
123.11714	1.3
124.05228	1.8
125.06043	0.3
125.09644	1.1
127.03902	0.2
127.07498	0.3
131.04907	0.4
131.08563	0.4
133.06490	0.4
133.10139	2.3
135.04431	0.3
135.08054	1.6
135.11726	0.3
137.05951	0.5
137.09596	0.3
139.07545	31.8
139.11179	0.8
140.04710	0.4
141.11479	0.9
143.01880	0.2
143.08450	0.2
145.10144	0.3
147.07973	0.3
147.11696	0.8
148.05238	0.6
149.05997	0.8
149.09624	0.4
149.13304	1.0
151.11206	1.1
153.05551	0.3
153.09137	1.8
155.07030	0.7
159.03334	0.2
161.02969	0.4
163.07574	0.6
163.11218	0.2
163.14836	0.6
163.64397	0.8
165.12718	0.4
166.06256	2.2
167.07045	100.0
168.07375	1.4
169.12256	0.8
171.10138	0.6
173.13281	1.3
176.04939	0.4
177.05547	1.1
179.06982	0.2
181.05125	1.0
181.08609	8.0
182.15430	0.6
183.13861	1.8
191.07031	0.6
191.10628	0.2
191.14378	1.4
194.05769	0.5
195.06520	0.9
199.18102	0.3
209.08092	16.8
209.15341	2.1
210.08447	0.4
210.14827	0.3
213.17786	1.8
213.68021	0.3
227.06993	0.5
227.09094	3.9
227.12750	0.4
227.16220	3.3
243.47105	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	227.0913
Annotation	Ampelopyrone
Peak:m/z	Relative Intensity
53.03946	0.3
55.01873	1.2
55.05511	15.5
55.21737	0.2
56.05843	0.3
56.96562	0.3
57.07083	0.9
66.92939	0.2
67.05512	0.8
69.03458	0.3
69.07070	0.7
70.06598	0.5
70.57465	0.2
70.66419	0.3
70.66771	0.5
73.02919	0.4
79.05494	1.0
81.03410	0.2
81.07070	0.6
82.06577	6.4
83.04980	2.9
83.06954	0.3
83.08620	8.2
84.08128	0.3
84.08942	0.4
85.02907	0.2
85.06058	0.2
85.06511	0.3
90.12300	0.2
91.05483	0.6
91.58111	1.9
92.08330	0.2
93.07049	0.7
95.04970	0.6
95.08599	1.1
96.05767	0.4
97.06548	0.2
98.09711	1.1
98.97566	1.9
99.04476	0.3
100.07623	1.6
100.09457	5.3
100.11256	56.0
100.59618	0.4
101.11578	1.5
105.07019	0.9
107.04947	0.9
107.08587	0.5
109.06532	0.6
109.10143	0.7
110.06042	5.0
111.04443	3.3
111.08075	0.7
112.07619	1.0
114.09162	2.1
116.98650	1.1
117.13898	2.7
119.08512	0.2
121.06494	0.7
121.10130	0.6
123.04472	0.3
123.08093	0.2
124.05164	1.5
125.09592	0.3
126.09155	1.2
127.08664	0.2
128.07088	2.8
129.05493	0.5
131.01848	0.3
133.06487	0.3
133.10165	0.2
133.11737	0.3
134.99667	0.4
135.08076	1.4
135.11708	0.7
137.06000	0.6
137.09671	0.4
139.07542	28.2
140.04636	0.2
140.07025	0.3
140.07970	0.3
140.10738	0.7
141.11473	6.3
141.61684	0.5
143.11803	0.6
147.04494	0.2
149.06006	0.4
151.07552	0.2
153.09082	0.6
154.12231	1.7
155.07056	0.3
155.11240	1.5
158.99661	0.7
163.07501	0.7
163.64377	5.9
164.14529	0.6
166.06259	1.6
166.15895	0.4
167.07039	100.0
168.07358	1.1
168.13908	0.3
172.15712	1.8
172.65924	0.3
175.14813	0.3
177.00665	1.4
177.05551	0.3
179.06871	0.3
181.05026	0.3
181.08592	7.5
182.08885	0.2
182.15402	8.2
183.15749	0.7
185.05580	0.2
191.07030	0.4
197.05521	0.2
199.18037	4.1
204.66550	0.4
207.09547	0.2
209.08096	13.9
209.16530	5.8
209.18488	0.3
210.08411	0.2
210.14911	4.2
210.16838	0.4
211.15303	0.3
213.17796	12.9
213.67979	2.4
215.09343	0.3
218.17046	0.4
225.15889	0.9
226.19182	0.8
227.06984	0.4
227.09116	3.3
227.17543	13.6
227.19487	1.0
227.67838	0.2
244.20160	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.055
Annotation	cspyrone B1
Peak:m/z	Relative Intensity
55.01628	0.7
55.01875	9.9
55.05494	2.7
55.13244	0.6
56.96554	1.2
57.03418	1.5
57.07062	1.4
59.05013	1.1
65.03942	0.7
67.05494	0.9
67.50846	0.7
68.99779	0.9
69.03430	4.2
69.07056	2.2
70.76997	1.5
71.04977	2.9
73.02899	3.1
79.05486	1.8
81.03411	2.1
81.07040	2.4
83.04969	1.1
83.08620	1.5
84.08136	2.1
85.02902	2.2
85.06519	1.7
91.05471	2.2
93.07070	3.4
95.04361	1.3
95.04973	24.4
95.08603	1.9
97.02879	2.5
97.06528	3.3
97.10182	1.1
98.97573	2.1
99.04437	4.5
99.08096	4.3
100.11253	4.2
101.02384	7.8
105.07011	1.9
106.07683	0.7
107.04936	3.2
107.08576	4.2
109.02889	1.7
109.06533	3.7
109.10160	2.1
111.00805	1.2
111.04455	1.3
115.07600	0.9
119.04937	1.4
119.08547	1.1
121.06509	1.2
121.10141	3.0
123.04456	1.4
123.08030	0.9
123.11703	1.4
125.02377	1.6
125.05969	2.4
125.09631	1.6
127.03919	74.6
127.07565	1.4
129.22511	0.7
131.08531	1.5
133.10126	4.9
135.08054	1.0
135.11685	1.5
139.03911	4.2
139.11194	1.6
143.03401	8.2
143.10724	1.8
147.11681	1.3
149.02307	1.8
149.06007	1.5
149.13242	1.2
152.65027	0.7
153.01833	34.5
153.05461	13.5
153.09074	6.3
153.12621	0.8
155.07024	0.9
163.03918	13.4
167.03398	15.4
167.07048	14.6
171.02824	2.2
171.10149	3.1
173.13272	2.2
175.68550	0.7
177.05463	2.9
181.04962	71.6
191.03415	3.6
191.14304	2.3
195.06526	1.7
207.04262	1.6
209.04460	100.0
209.07933	2.6
209.15225	3.6
216.04715	0.9
227.07260	1.0
227.09074	1.4
227.16214	11.9
227.19511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58289	0.5
55.01874	10.9
55.05508	1.7
56.96565	0.6
57.07056	0.7
65.03936	0.6
67.01865	1.1
67.05508	0.9
68.99812	1.7
69.03431	4.3
69.07072	1.0
71.05030	0.5
71.23988	1.3
73.02917	2.6
79.05492	1.1
81.03416	1.8
81.07050	1.3
83.05000	1.0
83.08622	1.3
84.08143	2.1
85.02913	2.2
85.06526	1.0
89.92400	0.5
91.05479	1.8
93.07066	1.1
95.04983	4.4
95.08601	1.4
97.02891	4.2
97.06565	1.1
97.63098	0.5
98.97592	1.1
99.04459	2.2
99.08092	0.7
100.11277	2.4
101.02396	8.8
103.05476	0.6
105.07027	1.0
107.04965	2.9
107.08614	1.3
109.02899	2.1
109.06512	1.0
111.00813	2.1
111.04449	2.1
111.08102	0.6
119.04966	2.1
121.06528	1.8
121.10146	1.1
123.04430	1.0
123.08108	0.7
125.02370	2.4
125.05988	2.6
125.09643	0.9
127.03924	72.0
133.10129	1.1
135.04414	1.6
138.70981	0.6
139.03983	3.0
142.18121	0.6
143.03400	9.3
143.10556	0.6
148.05225	0.8
149.02353	1.7
149.05983	1.1
149.13361	0.5
153.01836	44.8
153.05463	15.4
153.09109	0.9
155.07007	0.6
163.03920	13.9
167.03418	18.3
167.07056	5.9
171.02928	2.5
171.10130	0.8
177.05464	1.4
181.04964	84.4
191.03427	4.0
194.05783	1.1
195.06508	1.9
209.04460	100.0
209.08067	4.5
209.15215	0.7
210.04796	1.2
227.05536	2.4
227.16385	1.0
227.17537	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Annuionone A
Peak:m/z	Relative Intensity
50.33874	0.6
53.03939	1.5
55.01877	1.0
55.05498	7.2
56.96561	4.0
57.03432	2.6
57.07066	1.9
59.05002	0.8
61.02918	0.7
65.03940	1.2
67.05507	6.0
69.03426	9.7
69.07062	3.4
70.04079	13.0
71.03773	1.9
71.04395	2.7
71.04990	36.4
71.60107	1.6
79.05494	9.9
81.03418	2.5
81.07054	10.8
83.04980	12.7
83.08615	7.8
84.96018	0.7
85.02901	9.3
85.06543	1.2
91.05478	8.6
92.55344	0.7
93.07021	4.6
95.04955	3.6
95.08605	9.5
97.02887	3.7
97.06536	2.6
97.10210	1.3
98.97581	22.2
99.04453	100.0
99.08083	1.5
100.04813	1.6
105.03410	0.9
105.07027	9.5
107.04955	4.6
107.08595	42.7
109.06512	21.6
109.10152	6.8
110.10509	2.0
110.97614	0.9
111.04434	4.5
111.08092	1.8
113.02393	2.3
113.05995	2.4
113.09657	4.1
115.05435	0.7
116.98618	18.2
117.07082	1.0
119.04951	2.9
119.08569	6.0
121.06534	2.0
121.10131	12.5
121.10921	1.1
123.04418	1.0
123.08068	21.6
123.11707	14.2
125.05972	3.7
125.09635	8.6
128.98596	1.2
131.08580	3.0
133.06493	3.3
133.10129	14.1
134.99660	8.1
135.04475	0.9
135.08051	2.3
135.11653	0.8
137.05945	1.2
137.09622	12.5
137.13240	1.7
137.97134	0.7
138.10027	1.2
139.07498	0.9
139.11176	2.2
140.00221	1.0
141.09062	0.9
141.12764	1.7
143.08600	1.1
145.10130	1.2
146.99684	2.3
147.04420	2.1
147.08064	1.8
147.11679	6.7
149.09613	11.5
149.13283	1.4
151.03940	1.4
151.07582	2.8
151.11206	1.1
156.09476	0.7
157.05025	1.5
158.01276	1.0
158.99655	10.9
161.09662	1.5
161.13307	2.2
161.95444	0.7
163.03923	0.8
163.11223	2.2
165.09154	2.1
165.12753	11.8
167.10678	30.3
171.11736	0.9
173.13179	0.7
175.03935	2.3
177.00703	16.5
177.02144	1.1
179.07178	0.8
179.10635	1.4
179.14244	1.1
181.12144	0.6
183.13800	32.4
189.00763	1.5
189.09067	0.9
189.12740	5.2
191.14291	12.2
195.01811	1.4
197.12497	0.7
200.02354	2.2
203.34032	0.6
204.58925	0.7
205.08211	0.8
207.06525	4.2
207.10258	1.1
207.13829	6.9
214.08553	7.2
225.07541	2.3
225.10785	2.6
225.14670	32.7
225.59430	1.3
226.11006	1.2
232.22882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.95650	1.7
53.03942	2.5
55.01889	4.1
55.05514	13.2
57.03437	6.1
57.07062	3.3
59.04994	4.6
64.56264	1.8
67.05509	13.4
69.03431	11.8
69.07066	13.3
69.72699	11.8
71.04998	11.5
71.08620	2.7
79.05498	9.0
81.07061	91.0
83.04974	11.0
83.08614	3.0
85.02905	5.2
85.06546	3.9
91.05470	8.2
93.07024	11.7
95.04967	7.6
95.08625	30.3
97.02883	3.5
97.06541	4.6
97.10179	6.6
99.04459	100.0
99.08099	18.4
105.07028	14.0
107.08585	17.3
109.06522	25.8
109.10159	13.2
111.08109	4.2
111.11739	2.4
113.05992	3.4
115.03979	4.0
115.07564	3.1
119.08596	15.0
121.06509	2.6
121.10133	17.2
123.04405	2.7
123.08076	11.9
123.11734	17.0
125.09607	3.2
127.07562	11.8
127.11200	8.3
131.08598	2.9
133.10129	10.7
137.05981	2.6
137.09625	8.9
137.13246	25.6
139.11192	3.0
141.09106	7.7
145.10150	2.2
147.08138	2.9
147.11711	15.2
149.09622	83.7
151.07539	4.4
151.11212	15.4
153.09077	2.0
161.13260	6.1
163.11171	4.3
165.09093	3.7
165.12740	18.0
167.10687	4.1
171.11841	2.6
174.10417	3.7
179.07028	3.7
179.14314	2.8
183.13811	12.1
189.12721	11.2
207.13832	23.9
225.14879	27.1
236.40973	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03938	1.9
54.61981	1.3
55.01862	2.1
55.05516	13.3
57.03423	6.3
57.07062	4.5
58.29703	1.5
59.04994	3.8
61.02921	3.4
67.05504	13.9
69.03432	17.0
69.06783	1.5
69.07072	18.4
69.62411	8.0
69.62833	3.8
71.04992	13.4
71.08628	2.9
73.06541	2.0
78.45946	1.5
79.05504	13.0
81.03391	1.5
81.07061	91.4
83.04993	8.4
83.08611	5.6
85.02911	10.6
85.06523	7.5
87.04456	4.6
91.05476	7.5
93.07050	17.9
95.04962	7.7
95.08607	31.4
97.02917	3.7
97.06535	5.5
97.10150	6.8
99.04458	100.0
99.07568	1.8
99.08106	21.1
105.07024	18.9
107.04923	2.7
107.08584	20.2
109.06525	28.6
109.10155	14.9
111.04431	2.4
111.08063	4.4
113.06059	2.2
113.09588	1.6
115.03917	4.5
115.07558	3.1
119.08576	17.8
121.06494	1.8
121.10141	15.7
123.04409	2.3
123.08086	11.0
123.11713	20.0
125.09700	2.4
127.07574	11.0
127.11227	7.5
131.08575	2.0
133.06557	1.9
133.10132	11.3
135.08038	2.3
135.11740	3.1
137.05978	2.9
137.09628	12.8
137.13251	25.0
139.11186	9.0
141.09091	5.6
145.10127	3.7
147.08034	3.9
147.11678	18.8
149.09627	99.0
151.07520	5.0
151.11200	15.9
156.09396	1.9
159.11714	2.2
161.09651	2.4
161.13226	6.8
163.11160	3.6
165.12781	16.3
167.10699	3.7
169.08560	2.1
171.11646	4.0
174.10335	1.8
179.10663	1.6
179.14311	3.2
183.13820	14.6
189.12769	10.9
207.06584	2.4
207.13835	24.0
215.42442	1.5
225.14842	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03930	14.1
53.46440	5.4
55.05513	31.8
55.50351	5.3
56.96559	15.9
57.03444	7.0
57.07056	8.3
65.03941	5.7
66.70709	6.3
67.05505	61.5
69.07071	25.2
70.02248	33.9
71.04967	9.1
79.05498	96.1
81.03423	8.8
81.07072	59.2
83.04994	35.9
83.08620	10.0
85.06516	8.1
91.05489	67.2
93.07050	100.0
93.43293	7.6
94.60410	6.3
95.04984	29.2
95.08627	36.4
97.10145	7.2
99.04446	14.6
101.95032	49.2
105.03378	7.2
105.07031	41.8
107.08586	25.8
109.06508	11.2
109.10153	9.3
117.06989	10.4
119.08576	40.9
119.96075	19.0
121.10135	11.0
123.08067	11.5
128.70467	6.4
129.07007	20.1
133.10132	16.5
137.53944	5.8
137.97130	17.5
144.85172	5.8
145.10208	11.5
147.08096	5.6
147.11693	64.1
160.98721	23.1
161.09639	9.7
161.13271	16.6
163.21930	6.8
165.09003	6.5
171.11685	27.4
175.03889	8.0
178.99699	12.1
179.10593	6.2
189.12729	12.2
207.06558	10.7
207.13785	34.8
225.09129	14.1
225.14804	70.6
245.09604	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	225.0871
Annotation	3-Hydroxykynurenine
Peak:m/z	Relative Intensity
52.02318	1.9
53.03946	4.3
54.03466	2.6
55.01873	5.2
55.05518	9.8
56.05039	4.5
57.07070	6.7
58.02954	2.7
58.06608	3.1
58.58328	2.1
59.05014	2.9
59.06129	6.0
60.04528	89.7
64.12241	2.1
65.03935	12.2
67.05510	10.2
67.81868	2.2
68.05034	3.6
69.03432	7.3
69.04567	5.4
69.07074	5.8
70.06622	2.9
70.88496	5.7
71.01360	2.4
71.04990	9.5
71.08625	3.1
75.50538	1.9
79.02390	2.1
79.05499	20.6
80.05024	10.2
81.03426	10.4
81.05796	4.6
81.07058	19.7
82.06596	10.4
83.04976	13.9
83.06125	5.2
84.04518	12.7
85.02921	11.1
86.06074	4.1
89.03925	3.0
91.05484	16.1
92.05019	11.2
93.03425	5.1
93.05827	3.9
93.07062	9.2
94.06585	10.4
95.04974	54.5
95.06070	3.4
95.08600	12.6
96.04500	6.2
96.08144	5.6
97.02926	5.9
97.06560	8.5
98.06078	2.7
98.98498	2.9
99.04463	28.0
99.05597	2.5
99.08106	2.4
100.03979	2.5
100.11268	2.9
104.04998	4.0
105.03403	4.7
105.04493	2.5
105.07052	12.8
106.06552	16.3
107.04326	3.3
107.04948	16.2
107.06068	4.7
107.07377	3.0
107.08583	12.9
108.04505	9.3
108.08135	3.9
109.02911	8.9
109.05289	3.8
109.06528	13.5
109.07645	7.3
109.10184	7.6
110.03671	10.9
110.06053	20.1
111.04444	34.1
113.06015	2.3
115.03954	3.3
116.05016	6.4
117.06992	3.2
118.06577	7.0
119.04993	5.2
119.06065	10.2
119.08605	9.6
120.04478	17.2
120.08156	3.2
121.02873	5.8
121.05272	2.9
121.06540	5.8
121.07659	4.3
121.10177	11.8
122.03594	3.0
122.06049	9.8
123.04438	25.2
123.05386	3.0
123.06844	6.1
123.08059	15.5
123.11729	6.5
124.03983	4.2
124.07598	10.9
125.06025	11.9
126.05541	6.0
127.03944	5.3
127.07597	2.4
130.27177	2.2
131.06067	2.8
132.04498	8.5
133.02866	2.7
133.05304	3.1
133.07608	13.7
133.10143	6.0
134.06007	24.4
135.04448	7.5
135.05569	6.2
135.06837	6.5
135.09227	2.6
136.03998	13.5
136.04945	2.3
136.06305	2.9
136.07573	6.0
137.02399	6.6
137.06003	6.5
137.07140	8.8
137.09663	7.6
138.05501	14.8
139.03905	10.4
141.09105	4.6
143.06071	2.8
144.04523	3.6
144.08286	2.0
145.07626	2.4
146.06062	9.9
147.03328	2.1
147.04451	4.9
147.05522	57.2
147.08055	5.4
147.11755	6.6
148.03944	40.9
148.07616	3.2
149.04770	2.2
149.05995	4.1
149.07140	6.5
149.09663	9.0
150.05498	5.0
151.03975	3.1
151.06300	10.8
151.07565	7.1
151.08745	9.1
152.07089	25.9
153.05481	4.6
153.09099	11.9
154.05029	2.8
160.07616	4.3
161.07127	31.3
161.13301	4.9
162.05515	21.6
162.49673	2.0
163.03941	5.5
163.08769	3.8
163.11205	17.8
164.03455	6.2
164.07162	6.3
165.05466	3.5
165.06635	23.9
165.09209	6.5
165.12808	4.8
166.05035	6.3
166.08589	2.0
167.10696	6.7
168.06621	2.5
169.07413	5.0
171.05577	3.0
172.03896	3.1
174.07961	3.9
175.06467	2.0
179.06926	3.5
179.08199	20.8
179.10600	4.1
179.14307	2.5
180.04269	4.1
180.06554	14.9
181.12291	3.0
183.07700	6.3
183.13893	3.9
189.06644	27.1
189.12860	6.4
190.05074	7.6
190.07359	2.2
191.03365	2.1
191.08238	5.7
192.09050	6.2
193.04958	3.5
198.07698	6.6
207.07774	33.1
207.11255	7.1
207.13911	12.5
208.06155	6.8
208.09792	2.6
225.08798	100.0
225.12381	13.0
225.14948	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03938	2.4
55.01874	2.8
55.05518	10.7
57.03426	5.8
57.07070	5.1
58.57534	2.1
59.05014	4.4
67.05509	18.9
69.03426	7.5
69.07066	9.1
69.27421	2.5
70.11918	10.2
71.01381	2.4
71.04998	12.2
71.08607	1.9
76.37847	2.2
79.05495	9.7
81.03403	5.6
81.07060	69.7
83.04978	9.3
83.08601	2.4
85.02910	100.0
85.06536	6.4
91.05487	13.0
93.07050	12.6
95.04979	18.4
95.08615	34.8
97.02896	9.5
97.06515	7.8
97.10165	6.9
98.20869	3.1
99.04456	62.4
99.08115	9.9
103.74546	1.9
105.03394	3.7
105.07032	17.6
107.04946	5.8
107.08598	16.2
109.06507	18.6
109.10152	20.8
111.04428	3.0
111.08080	5.3
112.98140	1.9
113.06019	2.7
113.09680	2.1
115.03988	2.5
119.01855	2.1
119.04953	5.3
119.08595	17.3
121.06493	4.3
121.10135	20.3
123.04469	3.0
123.08083	17.2
123.10810	4.3
123.11713	86.7
125.05956	13.0
125.09644	2.1
127.07541	7.3
131.08577	3.2
133.02840	3.2
133.06509	3.2
133.10120	9.3
135.04419	3.4
135.08101	2.8
135.11714	2.9
137.05994	7.8
137.09625	7.0
137.13258	9.6
138.06688	2.4
139.11148	2.5
141.05440	2.6
141.09148	6.9
145.10104	3.9
147.04431	3.7
147.08058	4.7
147.11696	11.2
148.05186	14.8
149.09651	15.3
151.03961	13.6
151.07559	11.6
151.11209	8.5
156.09398	2.7
161.03035	2.7
161.09605	4.5
161.13264	9.7
163.03844	3.7
163.11194	8.8
165.05464	2.5
165.09131	3.1
165.11542	2.0
165.12759	13.4
167.07051	2.4
167.10741	4.4
169.08580	3.7
171.11719	3.8
175.03879	3.0
179.10742	3.4
179.14368	4.8
180.04114	4.9
181.08595	89.4
183.13834	9.3
189.12735	16.3
193.05086	2.6
195.10194	10.2
207.02962	2.7
207.06575	11.9
207.10202	9.4
207.13815	39.8
210.62007	2.5
225.07568	6.9
225.11223	5.1
225.14819	29.4
226.09874	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.2
55.05509	11.9
56.96559	1.7
57.03443	8.0
57.07071	3.5
59.05001	2.1
59.90425	1.4
65.03929	4.9
67.05510	10.9
69.03075	2.9
69.03432	46.1
69.07047	4.8
70.85709	1.3
71.01354	1.8
71.05000	10.6
71.58503	2.3
73.72071	1.6
75.04499	1.4
77.03934	1.6
79.05489	6.6
81.03419	4.2
81.07066	10.3
83.04987	46.3
83.08624	2.8
85.02908	17.5
85.06544	2.6
87.34871	1.3
89.03914	1.9
90.46560	1.4
91.05485	45.7
93.07040	6.0
95.01337	1.8
95.04963	13.8
95.08570	8.9
97.02886	17.9
97.06541	5.3
99.04464	22.7
100.11256	1.3
101.95068	2.1
103.05482	2.6
105.03410	1.5
105.07027	8.7
107.04968	3.3
107.08598	12.6
109.06532	11.0
109.10145	7.2
111.04439	19.8
111.08086	2.1
113.02364	14.9
113.05997	8.3
113.09687	1.8
115.03880	1.7
118.04173	4.6
119.04948	45.6
119.08595	9.0
121.06504	3.6
121.10190	7.1
123.04459	2.8
123.08089	9.8
123.11700	5.9
125.05963	3.2
125.09627	4.2
131.08572	1.7
132.02045	4.2
133.10126	4.9
135.04398	4.9
135.08138	1.9
137.05975	4.0
137.09596	2.0
138.03061	1.6
143.03391	5.0
147.04424	38.1
147.08044	4.8
147.11693	3.9
149.02357	6.0
149.06056	2.2
149.09644	5.3
151.03937	4.3
151.07555	5.3
153.05551	1.5
157.03877	2.8
157.05002	6.8
161.09662	3.6
161.13237	2.7
164.04678	3.9
165.05464	2.9
165.09157	4.3
165.12761	5.4
167.07025	4.0
167.10680	9.6
169.09975	1.4
175.03914	59.8
177.01799	2.6
179.07066	5.5
179.10625	2.5
183.06555	2.8
183.13820	10.5
189.12805	3.5
192.04158	21.4
207.06535	100.0
207.13782	6.0
214.08635	2.4
225.07445	13.9
225.09436	2.4
225.11188	3.3
225.14766	10.2
225.19728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	Sepedonin
Peak:m/z	Relative Intensity
53.03941	2.9
55.01863	3.9
55.05498	5.8
56.96553	1.7
57.03445	2.2
57.07077	4.3
65.03933	3.7
67.05503	8.8
68.47644	1.3
69.03426	6.5
69.07058	6.1
70.01809	5.0
70.02219	3.5
70.06606	1.8
71.04985	6.6
71.08630	1.9
71.30595	1.2
77.08978	1.5
77.93824	1.6
79.05491	9.4
81.03408	2.7
81.07064	17.3
83.04990	9.3
83.08607	5.7
85.02903	3.7
85.06532	4.0
87.20639	1.4
91.05482	47.1
93.07056	11.0
95.04980	9.5
95.08624	14.6
97.02888	5.2
97.06524	6.8
98.20789	2.3
99.04446	13.9
101.95035	6.0
105.03393	3.6
105.07040	14.1
107.04939	5.0
107.08602	14.4
109.06510	10.7
109.10162	12.5
111.08081	3.6
112.47968	1.4
113.05998	2.1
113.09586	1.7
116.98669	1.7
117.63466	1.7
118.04160	4.4
119.04951	41.8
119.08585	23.8
119.96068	3.4
121.06516	3.3
121.10143	10.4
123.04428	2.4
123.08061	16.7
123.11745	8.3
125.05997	10.4
125.09615	3.0
131.08572	3.5
132.02063	2.9
133.06473	2.0
133.10133	16.8
135.04387	2.6
137.05936	3.4
137.09601	4.0
137.97086	4.7
139.07524	1.7
139.11137	2.4
143.08418	1.5
147.04413	37.8
147.08075	7.7
147.11702	5.5
149.02339	6.1
149.09634	6.3
151.07547	6.5
151.11197	4.4
153.05464	2.0
155.98169	2.8
157.04016	2.4
160.98746	3.2
161.09583	7.0
161.13261	4.1
163.03885	3.9
163.11198	14.1
164.04713	4.6
165.01842	2.2
165.05449	4.2
165.09114	9.5
165.12769	4.7
167.07072	7.3
167.10661	5.6
169.08659	2.0
169.10052	1.8
175.03911	54.1
178.99728	2.6
179.07010	5.4
179.10689	6.1
179.14279	1.8
180.04211	6.6
181.04997	2.0
181.12175	5.7
183.06526	2.2
183.11761	1.6
183.13776	3.3
189.09152	7.0
189.12790	5.4
189.16411	2.4
192.04192	21.8
193.04973	3.3
195.06546	2.3
198.93228	1.5
207.06531	100.0
207.10158	9.3
207.13852	10.2
207.17519	1.6
225.07506	4.5
225.09265	3.9
225.11172	4.3
225.12856	3.3
225.14706	17.7
225.18199	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02391	0.6
53.03939	0.7
54.92542	0.5
55.05523	2.8
56.96556	1.0
57.03424	0.8
61.74978	0.5
65.03937	2.0
67.05499	2.9
69.03430	0.7
69.07076	0.7
69.41444	5.5
71.04994	1.6
77.03928	1.0
79.05497	2.4
81.07059	3.6
83.04974	1.2
83.08613	3.5
85.02902	1.5
85.06548	1.0
89.03904	1.2
91.05482	38.8
93.07037	2.4
95.04983	2.8
95.08611	3.6
97.02904	1.3
97.06509	1.2
98.20703	1.2
98.97587	0.7
99.04452	3.3
99.37789	0.6
101.95039	1.6
103.05454	1.8
104.02444	0.6
105.03391	1.6
105.07035	2.4
107.04919	1.2
107.08595	2.9
108.05743	0.6
109.02866	0.6
109.06500	2.5
109.10163	2.1
118.04165	5.0
119.04944	44.4
119.08594	4.8
119.96078	0.9
121.02858	1.3
121.06477	0.8
121.10155	2.0
123.04459	1.5
123.08063	2.6
123.11694	1.7
125.05983	5.3
129.82484	0.6
131.04900	0.7
132.02042	3.3
133.02858	1.4
133.10115	3.1
135.04384	1.7
135.11664	0.7
136.05206	1.7
137.05948	2.5
137.09572	1.2
137.97079	0.6
145.02884	0.9
146.03647	1.6
147.04408	35.6
147.08038	2.0
147.11673	1.7
149.02318	5.8
149.09628	1.5
151.03928	1.1
151.07507	1.2
153.05473	1.0
157.03949	3.5
160.98705	1.0
161.09644	1.5
161.13225	1.0
163.03925	1.5
164.04648	4.7
165.09106	2.5
165.12784	0.9
167.07002	1.3
167.10658	1.3
174.03142	1.4
175.03911	64.5
176.04401	0.6
177.01855	2.7
179.07072	4.4
179.10704	1.6
180.04202	1.3
181.08534	1.3
183.06500	1.3
189.09090	1.8
189.12747	1.4
192.04176	22.2
193.04736	0.8
195.06583	0.8
197.05957	0.7
207.06529	100.0
207.13795	1.7
208.06781	1.0
225.07388	1.2
225.09102	1.6
225.11221	1.6
225.14587	2.8
241.57234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
52.59373	1.6
53.03938	3.6
55.01862	6.2
55.05510	15.4
56.96558	2.3
57.03434	12.1
57.07071	5.1
59.05002	2.7
65.03936	4.1
67.05507	13.4
69.03433	59.8
69.07054	6.9
70.06587	2.9
70.11370	8.8
71.01356	3.6
71.05000	12.3
79.05494	11.0
79.05896	1.6
81.03410	7.2
81.07056	14.6
82.44595	1.8
83.04987	63.7
83.08635	4.6
85.02907	23.2
85.06561	2.8
89.03920	2.6
91.05487	50.8
93.07051	8.7
95.01306	2.6
95.04980	17.6
95.08607	16.2
97.02328	3.0
97.02895	20.4
97.06526	7.2
98.97556	1.7
99.04443	24.0
101.95058	3.0
103.05406	2.0
105.03401	4.2
105.07025	10.0
107.04957	7.1
107.08591	16.8
109.06508	14.5
109.10183	9.9
111.04454	25.2
111.08015	2.9
113.02358	17.7
113.06001	11.6
118.04167	5.9
119.04943	48.9
119.08589	18.1
121.06508	4.8
121.10136	11.1
123.04447	4.1
123.08109	15.5
123.11711	9.3
125.05997	4.8
125.09580	3.8
132.02060	2.8
133.06538	3.4
133.10146	11.2
135.04413	5.6
135.08022	2.8
135.11662	3.9
137.06003	8.6
137.09610	6.3
143.03384	4.0
143.08510	3.2
147.04427	38.1
147.08049	7.8
147.11670	7.0
149.02328	5.2
149.05995	3.2
149.09619	7.2
151.03882	6.6
151.07552	5.0
151.11205	3.0
153.05391	2.1
157.03857	3.6
157.04979	8.9
161.09610	8.3
161.13269	4.5
163.11226	4.7
164.04655	6.2
165.05428	5.1
165.09084	9.6
165.12776	8.7
167.07045	7.3
167.10687	8.2
175.03920	67.3
179.07053	6.7
179.10686	5.4
179.14310	2.3
180.04250	2.8
183.13818	13.7
189.09102	6.7
189.12720	3.8
192.04166	20.7
193.04930	3.4
207.06532	100.0
207.10165	8.6
207.13768	10.6
213.55424	1.8
225.07446	23.7
225.11076	4.1
225.14771	14.2
238.67976	1.6
249.77715	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.59083	1.7
55.01878	4.5
55.05511	9.2
57.03417	2.0
57.07071	5.6
59.04993	4.3
65.03933	4.8
67.05505	13.4
69.03430	6.5
69.07072	12.5
69.48985	16.3
71.05000	9.0
71.08640	2.8
76.02304	1.7
77.03937	2.7
79.05500	11.1
81.03431	5.4
81.07056	25.3
83.04973	6.2
83.08632	8.6
85.02897	6.0
85.06545	7.1
90.76365	1.9
91.05487	52.3
93.07044	15.2
95.04965	12.1
95.08606	22.4
97.02903	6.3
97.06550	4.9
98.21441	4.4
99.04446	14.1
99.08101	3.2
101.95016	10.0
105.03385	6.8
105.07024	16.8
107.04963	8.6
107.08585	14.2
109.06549	11.3
109.10152	15.2
111.04434	3.8
111.08080	8.5
116.38287	1.6
117.07017	1.7
117.87417	1.9
118.04195	5.6
119.04956	44.2
119.08579	26.7
119.96057	5.1
121.02853	1.9
121.06459	2.6
121.10166	13.4
123.04444	4.5
123.08086	10.1
123.11712	18.7
125.09666	3.7
131.08589	2.9
132.02097	3.7
133.02887	2.6
133.06480	2.1
133.10126	16.5
135.04401	3.1
135.08104	2.6
135.11711	4.2
136.05200	4.0
137.06004	9.4
137.09639	4.2
137.13268	5.9
137.97115	6.0
139.03912	6.6
139.11191	2.3
141.07034	1.9
141.09061	4.3
143.08549	3.2
145.10138	3.4
147.04411	40.1
147.05524	3.2
147.07999	9.1
147.11702	9.4
149.02321	4.8
149.09631	6.8
149.13255	13.7
151.03894	1.9
151.07567	4.9
151.11134	3.6
153.05501	3.7
155.03392	4.6
155.98216	3.2
157.03986	3.6
160.98718	7.4
161.09634	8.4
161.13268	8.1
163.03909	5.5
163.11220	3.0
164.04729	3.3
165.01871	1.9
165.05516	8.3
165.09093	10.8
165.12897	2.0
167.07042	9.1
167.10675	6.3
169.10179	2.4
171.11676	2.4
175.03908	57.3
177.01880	2.6
178.99791	4.2
179.07057	6.4
179.10674	7.3
180.04227	10.8
182.07266	2.6
183.06511	2.6
183.13808	4.1
189.09073	4.6
189.12772	4.1
189.16428	5.5
192.04187	24.0
193.05006	5.4
193.12283	3.7
195.06578	5.0
195.17523	2.3
197.08095	2.3
207.06531	100.0
207.10168	9.5
207.13707	9.1
207.17453	10.6
225.05627	3.3
225.07469	6.3
225.09155	4.7
225.11009	17.0
225.14668	13.2
225.16599	3.7
225.18245	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70112	5.3
67.86961	5.5
70.76655	11.3
70.77045	9.8
76.05066	4.8
98.97584	5.1
101.00873	15.4
116.31651	5.5
119.01908	100.0
137.02965	41.7
142.03520	49.3
160.04530	15.1
161.02953	14.3
176.98247	9.8
179.04007	32.4
199.50060	14.2
211.00792	5.9
219.99799	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	225.0758
Annotation	Plumbagic acid
Peak:m/z	Relative Intensity
55.01868	3.2
55.05509	11.9
56.96559	1.7
57.03443	8.0
57.07071	3.5
59.05001	2.1
59.90425	1.4
65.03929	4.9
67.05510	10.9
69.03075	2.9
69.03432	46.1
69.07047	4.8
70.85709	1.3
71.01354	1.8
71.05000	10.6
71.58503	2.3
73.72071	1.6
75.04499	1.4
77.03934	1.6
79.05489	6.6
81.03419	4.2
81.07066	10.3
83.04987	46.3
83.08624	2.8
85.02908	17.5
85.06544	2.6
87.34871	1.3
89.03914	1.9
90.46560	1.4
91.05485	45.7
93.07040	6.0
95.01337	1.8
95.04963	13.8
95.08570	8.9
97.02886	17.9
97.06541	5.3
99.04464	22.7
100.11256	1.3
101.95068	2.1
103.05482	2.6
105.03410	1.5
105.07027	8.7
107.04968	3.3
107.08598	12.6
109.06532	11.0
109.10145	7.2
111.04439	19.8
111.08086	2.1
113.02364	14.9
113.05997	8.3
113.09687	1.8
115.03880	1.7
118.04173	4.6
119.04948	45.6
119.08595	9.0
121.06504	3.6
121.10190	7.1
123.04459	2.8
123.08089	9.8
123.11700	5.9
125.05963	3.2
125.09627	4.2
131.08572	1.7
132.02045	4.2
133.10126	4.9
135.04398	4.9
135.08138	1.9
137.05975	4.0
137.09596	2.0
138.03061	1.6
143.03391	5.0
147.04424	38.1
147.08044	4.8
147.11693	3.9
149.02357	6.0
149.06056	2.2
149.09644	5.3
151.03937	4.3
151.07555	5.3
153.05551	1.5
157.03877	2.8
157.05002	6.8
161.09662	3.6
161.13237	2.7
164.04678	3.9
165.05464	2.9
165.09157	4.3
165.12761	5.4
167.07025	4.0
167.10680	9.6
169.09975	1.4
175.03914	59.8
177.01799	2.6
179.07066	5.5
179.10625	2.5
183.06555	2.8
183.13820	10.5
189.12805	3.5
192.04158	21.4
207.06535	100.0
207.13782	6.0
214.08635	2.4
225.07445	13.9
225.09436	2.4
225.11188	3.3
225.14766	10.2
225.19728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03938	0.7
54.31569	0.4
55.01870	1.7
55.05513	4.9
56.96568	2.6
57.03455	0.5
57.07070	1.4
65.03938	1.0
65.93417	0.5
67.05508	6.1
69.07072	6.2
69.43989	1.2
69.44398	2.9
71.04998	1.7
79.05494	4.8
81.03420	3.4
81.07066	9.5
83.04985	2.9
83.08602	2.4
85.02902	3.3
85.06552	0.6
87.60082	0.4
91.05489	4.8
93.07063	4.6
95.04976	100.0
95.08602	5.8
96.05331	0.5
97.02357	0.5
97.02898	0.9
97.06543	1.3
97.69118	0.4
105.07040	2.6
107.04964	1.8
107.08621	3.0
109.06527	2.9
109.10188	1.1
111.04431	0.6
111.08083	1.1
115.05461	0.7
116.98650	0.8
117.07029	2.6
119.01402	0.5
119.08600	3.5
121.06504	2.7
121.10163	2.7
123.04527	0.5
123.08061	3.8
125.06035	0.5
129.07043	0.8
131.08586	1.7
133.10173	1.7
134.99652	1.0
135.08055	1.2
135.11693	3.5
141.09184	0.6
143.08601	1.0
145.10149	5.5
147.08057	3.2
149.02354	5.2
149.05455	0.8
149.09650	0.5
153.06883	0.5
158.01274	0.8
158.05992	3.4
159.11748	2.4
160.56270	0.7
161.09669	1.2
162.03116	0.5
163.07401	0.5
163.11191	15.2
163.14882	0.5
165.09131	0.4
166.08267	0.6
169.10133	0.5
169.56860	0.6
175.08902	0.6
177.00699	0.5
177.12753	3.0
181.12256	0.6
184.09425	0.6
186.59619	0.8
187.11192	2.8
190.02634	0.5
191.10117	2.3
193.09932	1.0
195.60323	0.5
200.10626	1.0
202.60934	0.7
205.12254	4.0
223.05963	3.8
223.11229	0.9
223.13289	8.7
223.16859	2.8
223.20534	0.6
225.04323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03934	0.4
55.01871	1.6
55.05511	3.1
55.85572	0.3
56.05010	0.3
56.96551	0.5
57.03432	0.7
57.07069	1.1
59.04997	0.4
62.20164	0.3
65.03951	0.9
67.01866	6.4
67.05502	2.8
68.87524	0.3
68.99787	4.6
69.03429	7.5
69.07070	2.6
70.19855	1.0
70.20273	0.5
71.04988	0.5
79.05495	4.1
81.03400	1.5
81.07053	4.5
83.01333	0.8
83.04983	3.5
84.08155	2.2
85.02905	2.4
87.04468	10.5
91.05476	6.5
93.07047	7.2
95.04987	4.3
95.08604	3.7
97.02891	1.5
97.06509	1.7
98.97581	0.6
99.04424	0.6
101.02357	1.0
103.05468	0.6
105.07037	2.6
107.04965	1.8
107.08598	3.7
109.02895	0.4
109.06520	17.3
109.10171	2.9
110.07346	0.5
111.00805	4.3
111.04429	1.1
111.08107	1.8
113.02401	0.4
117.07000	1.2
119.06085	0.8
119.08578	3.7
121.02888	2.7
121.06508	18.0
121.10141	3.4
122.07298	2.5
123.04433	2.0
123.08045	1.2
123.11722	0.5
125.02341	1.0
125.05992	1.0
125.09666	0.8
127.03918	3.8
129.01849	1.4
129.06978	0.6
131.08577	1.5
133.06454	0.4
133.10120	1.2
135.04407	0.9
135.08054	2.4
135.11694	1.4
136.74773	0.3
137.09621	33.8
138.09952	0.5
139.03906	7.5
139.07542	4.7
139.11153	0.4
144.09436	0.5
145.06458	0.7
145.10115	0.9
147.08047	1.0
147.11685	0.7
149.02338	3.6
149.05998	3.3
149.09605	2.7
149.13280	0.5
151.03911	0.4
151.11102	0.4
153.01830	100.0
153.09041	0.6
154.02167	1.9
157.08656	0.7
157.10165	0.4
159.08098	0.5
159.11681	2.5
161.09679	0.5
163.03896	3.4
163.07539	1.9
163.11192	3.7
165.09142	0.8
165.12755	0.5
167.03432	1.0
167.07014	1.0
171.02893	35.8
172.03236	0.6
175.11218	0.5
177.00670	0.7
177.05495	1.3
177.09090	1.8
177.12756	2.8
179.07106	0.7
181.05005	2.1
181.08583	1.6
181.12238	0.7
187.07539	0.6
187.11172	1.4
190.02660	0.5
191.07094	0.4
195.06512	1.1
196.09671	0.9
205.08632	3.6
205.12221	2.4
208.03766	0.4
223.06046	3.1
223.09657	57.1
223.13051	8.4
224.06757	0.5
224.09991	1.6
225.04295	0.9
234.59924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03945	0.6
54.49900	0.2
55.01863	0.9
55.05516	5.1
56.96556	0.2
57.03427	0.3
61.98274	0.2
64.36193	0.2
65.03929	0.6
66.04712	0.3
67.05177	0.4
67.05510	4.9
69.03421	0.4
69.06725	0.3
69.07073	4.3
69.38379	2.1
71.04990	0.5
73.02886	0.3
79.05492	3.2
81.03423	8.2
81.07063	4.1
83.04990	0.6
83.08621	2.8
85.06565	0.3
87.08100	0.4
91.05482	2.3
93.03423	0.3
93.07064	2.3
94.04190	3.3
94.67758	0.2
95.04975	15.7
95.08624	1.7
97.02876	0.3
97.06517	0.4
103.56417	0.2
105.07030	1.4
107.04960	4.5
107.08600	1.0
108.05744	0.3
109.02911	0.3
109.06539	0.9
109.10139	0.4
111.08086	0.2
116.78966	0.2
117.07027	1.2
119.08582	0.7
119.29564	0.2
121.06514	0.9
121.10146	0.6
123.08057	0.9
125.09621	0.2
129.06952	0.3
131.08603	0.6
133.10173	0.3
135.08034	0.5
135.11691	0.6
143.66046	0.2
145.10129	0.8
147.08052	0.3
149.02319	0.9
159.11685	0.5
163.11169	1.5
177.12808	0.2
205.12241	1.7
223.13304	100.0
224.13609	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03946	3.4
55.01863	6.8
55.05268	3.1
55.05513	39.4
55.47875	2.2
56.96550	7.3
57.03421	7.3
57.07062	8.0
59.04983	3.6
67.05176	3.3
67.05507	45.2
69.03406	9.9
69.07050	9.2
69.95641	4.3
69.96044	10.0
70.06583	4.6
70.25516	2.2
71.04995	16.8
72.08125	4.2
73.02917	2.7
75.99999	1.9
79.05477	9.8
81.03402	8.3
81.07060	26.6
83.04989	100.0
83.08599	6.9
85.02907	14.7
85.06532	4.3
91.05473	15.3
93.07053	20.0
95.04942	9.2
95.08602	13.6
97.02871	5.9
97.06493	9.2
97.07633	2.4
98.97603	13.8
99.04412	3.3
99.08100	4.1
101.66292	2.5
105.07046	12.7
107.04926	8.2
107.08605	21.1
108.04434	2.2
109.02854	4.3
109.06504	7.4
109.10155	52.7
109.14868	2.3
111.04425	4.7
111.08068	20.8
113.06003	7.4
114.10260	6.2
116.98598	9.3
117.07014	7.9
119.08545	14.0
121.02858	4.4
121.06489	12.7
121.10135	17.2
123.08025	7.8
123.11746	4.4
125.05972	5.9
125.09590	5.7
131.04935	3.8
131.08539	4.6
133.06479	4.7
133.10104	5.1
134.99654	8.1
135.08063	10.8
135.11691	11.0
137.05974	5.4
137.09607	18.8
139.03871	4.7
139.07509	6.4
144.04454	14.2
144.09357	3.1
145.06450	5.8
145.10103	9.8
147.08028	5.9
149.01158	2.6
149.02339	38.0
149.05981	4.0
149.09657	11.1
149.13235	3.4
151.03934	2.9
151.07570	2.7
153.01790	8.0
153.05420	4.0
153.12686	3.6
158.99661	4.0
159.08049	6.2
159.11687	10.7
161.09592	5.4
161.13251	3.0
162.03062	3.2
163.03891	9.2
163.07462	8.5
163.11197	41.1
165.09074	8.4
167.03391	3.1
167.07065	10.4
167.08336	2.4
177.00706	11.7
177.05438	6.4
177.09094	8.0
177.12695	12.6
181.04898	2.3
181.08557	4.9
181.12276	11.5
187.07600	4.1
187.11128	5.9
187.14807	2.3
190.02617	3.9
191.07021	2.7
191.95306	2.1
192.07840	3.1
193.08519	2.1
195.06439	6.7
195.10185	2.3
205.08575	8.4
205.12231	28.2
205.15923	4.1
208.03593	3.1
223.02432	2.7
223.05998	31.5
223.09537	10.0
223.11459	4.7
223.13266	77.7
223.16692	18.2
225.04283	12.8
227.02216	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	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03938	1.9
55.01867	2.4
55.05512	6.9
56.96569	9.8
57.03419	0.8
57.07072	1.0
59.04988	0.8
65.03917	1.2
67.05507	9.1
69.03430	1.0
69.07063	5.2
69.79742	1.1
69.80161	2.0
71.04990	2.2
71.95274	0.9
79.05496	7.1
81.03426	5.4
81.07060	13.6
83.04994	2.8
83.08604	2.6
84.95998	0.9
85.02901	3.0
91.05483	7.0
92.98632	0.5
93.07043	6.3
95.04971	100.0
95.08609	7.5
97.06535	1.7
97.10222	0.5
98.97590	1.3
99.08100	0.5
103.02371	0.6
105.07024	4.2
107.04952	2.5
107.08599	3.1
109.06533	3.9
109.10149	1.7
111.08076	1.2
115.05429	0.6
116.98649	1.5
117.06994	2.8
119.08585	4.2
120.03374	0.5
121.06505	3.4
121.10136	2.8
123.08067	3.8
125.05901	0.6
128.98628	0.6
129.07045	1.0
130.04660	0.5
131.08569	1.8
133.06427	0.5
133.10185	1.0
134.99715	1.9
135.08043	2.2
135.11697	4.0
136.17149	0.4
137.09605	1.0
139.07536	0.5
141.09135	0.5
143.08592	0.9
145.06566	0.8
145.10139	6.4
145.60645	0.5
147.08110	3.3
149.02341	7.2
158.01309	0.8
158.99692	0.7
159.11661	3.4
161.09651	1.5
162.03067	0.5
163.03873	0.6
163.11186	16.9
165.09138	1.1
167.07094	1.3
169.08852	0.7
169.10204	0.7
169.17300	0.6
170.06038	0.6
171.03169	0.7
175.02841	0.7
177.00748	0.8
177.06819	1.1
177.12741	2.8
181.12288	0.8
182.07697	1.1
182.57867	0.5
185.04785	0.7
187.11171	2.7
189.04407	0.5
190.02675	0.5
191.08331	0.7
199.06482	1.0
200.02240	0.5
200.08812	0.7
203.06052	0.7
205.12251	3.6
208.03648	0.7
213.07959	0.7
217.07471	2.1
223.06000	3.0
223.09464	0.5
223.11221	1.0
223.13202	8.5
223.16925	1.8
225.04214	1.0
227.02077	0.6
231.08960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
55.05513	4.9
56.05044	12.9
57.03432	10.8
57.07066	5.5
58.06604	6.5
59.06106	3.9
60.04532	15.7
67.05505	6.7
68.05032	6.1
69.03432	33.3
69.69386	16.8
70.06587	10.7
71.01373	15.3
72.04520	9.8
73.02914	8.8
74.05711	3.9
74.06091	38.5
75.05610	3.4
77.12539	2.4
79.05495	3.3
80.05024	3.3
81.03419	16.2
81.07056	3.1
82.06572	7.0
83.04987	5.5
84.04518	12.8
85.02908	28.1
86.06073	24.2
88.07642	3.4
91.05488	4.8
94.06583	10.6
95.04970	14.4
95.06089	2.5
96.04482	9.0
97.02901	28.8
98.06062	30.3
98.21535	2.6
99.04456	11.6
100.03962	4.1
101.02366	4.3
102.05562	14.0
103.05483	13.0
105.07022	3.4
105.94646	2.5
107.04958	4.5
107.08579	2.6
108.04533	2.9
109.02876	6.8
109.07651	4.0
110.06055	36.4
111.04461	16.5
112.07611	7.5
113.02396	17.1
114.05528	17.5
115.03938	7.7
116.07117	3.0
116.98604	2.8
119.08613	2.7
120.08159	5.0
120.97914	3.3
121.02856	2.6
121.06538	2.7
121.81850	2.8
122.06042	18.3
123.04460	13.2
125.02396	7.0
126.05527	29.9
127.03935	9.6
128.07098	5.3
129.05449	2.6
130.06560	19.3
131.03421	2.9
131.04967	26.6
131.05891	4.7
132.04501	7.4
133.10130	2.8
134.06015	4.3
134.99693	3.7
137.05952	5.3
138.05515	9.4
139.03905	9.1
140.07094	14.5
141.05487	7.5
142.04930	2.6
143.03415	17.9
144.06577	10.5
148.03973	3.1
148.07579	10.4
150.05519	8.3
156.06589	3.9
157.05040	2.8
158.06007	6.4
158.08156	16.4
161.04539	2.8
162.05499	4.3
163.07481	12.1
163.09808	3.0
168.06570	12.2
169.05008	6.4
176.03629	2.9
176.07021	25.1
176.10599	2.7
177.06609	3.3
180.10216	5.5
186.07678	31.2
187.06099	16.9
194.04581	3.8
195.07780	2.7
204.08722	100.0
205.06949	3.8
205.97954	2.7
222.07829	4.8
222.09666	43.7
222.11389	26.0
222.13419	6.0
222.15825	3.6
222.18529	3.0
225.04303	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	222.1125
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
54.71748	0.4
56.05031	0.5
60.04526	2.6
70.93734	0.6
70.94079	1.1
81.07061	1.0
85.02920	0.5
87.96247	0.4
91.05512	0.5
98.97585	2.0
103.05467	33.2
116.98602	2.2
121.10149	0.5
131.04930	77.3
134.99635	2.3
135.08112	0.7
137.05981	9.1
145.06459	1.1
148.05241	0.5
148.07584	2.1
153.00694	0.6
158.01253	1.3
161.08337	2.6
163.07542	45.9
165.09151	0.5
175.07436	0.6
176.07042	6.6
176.08261	0.5
177.09145	0.8
178.09450	2.0
180.10187	5.9
189.07877	4.6
190.08632	6.8
204.10245	2.0
207.08914	8.1
222.11256	100.0
223.11581	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
55.51344	0.2
60.60373	0.2
71.11549	0.4
71.11864	0.2
71.47514	0.2
87.50367	0.2
91.05477	0.8
95.24264	0.2
103.05477	0.4
105.07020	0.4
109.06481	0.2
115.05460	0.8
116.06239	0.6
117.07021	4.2
119.04903	0.2
119.08506	0.2
121.06496	0.5
121.36243	0.2
128.06180	1.0
131.04890	0.2
133.06468	0.4
134.07266	0.8
135.08051	0.6
143.08546	0.9
144.05692	0.5
145.06506	1.0
147.04457	0.3
147.08049	0.3
149.02347	2.1
161.06001	0.4
162.06764	4.9
171.08003	0.5
175.07535	2.3
177.09106	100.0
178.09485	0.8
203.10715	0.5
221.11688	0.6
222.11278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	2.3
55.01868	1.9
55.05510	13.6
56.96579	7.7
57.07064	5.8
59.05003	2.8
62.58931	1.6
65.03929	1.5
67.05506	29.2
69.03430	3.0
69.07069	20.6
70.28982	4.8
71.05000	6.9
71.08645	1.4
79.05495	17.7
81.03428	2.0
81.06577	2.4
81.07061	52.9
83.04975	4.7
83.08625	10.0
85.06528	4.1
91.05475	21.5
93.07043	32.9
95.04972	5.3
95.08605	67.1
97.06522	5.8
97.10191	3.5
98.97590	4.5
99.08103	1.4
103.05457	2.6
105.07031	55.9
107.04953	3.1
107.08594	44.8
107.83649	1.5
109.06516	4.9
109.10154	45.7
111.08097	7.1
113.09655	1.5
115.05457	1.7
116.98631	9.8
117.07046	3.5
119.04949	1.5
119.08581	100.0
121.02850	1.5
121.06506	3.3
121.10146	27.6
123.04431	2.2
123.08084	4.0
123.11701	16.8
125.05987	1.9
125.09631	4.5
127.15998	1.4
129.07007	2.5
131.04947	2.6
131.08569	5.3
132.05751	2.0
133.06470	4.7
133.10123	46.6
134.99669	14.0
135.04408	2.1
135.08070	3.2
135.11714	8.0
137.06004	4.1
137.09633	4.6
137.13283	4.7
139.11134	1.5
140.00276	2.2
143.08585	2.6
145.10107	5.3
147.04430	2.8
147.08067	4.0
147.11690	58.9
149.02330	16.6
149.13281	7.1
151.03990	2.0
151.07620	2.0
151.11238	3.8
153.00714	3.4
158.01295	5.4
159.11685	2.9
160.05188	1.9
161.05972	8.3
161.09650	4.9
161.13263	39.7
162.06743	2.4
163.03908	4.8
163.07555	2.2
163.11209	1.7
163.14836	15.1
165.09111	4.1
165.12785	4.2
167.03410	1.7
175.04039	1.9
175.07471	7.0
175.11189	4.2
175.14830	35.4
175.16280	2.7
176.02280	2.7
177.05502	3.4
177.09174	8.5
177.16368	3.9
178.06270	1.7
179.10727	1.8
179.14291	3.1
185.13277	5.4
189.05510	4.0
190.06296	4.7
191.03513	3.4
191.07079	1.4
193.03745	2.0
193.06911	2.4
193.08626	7.2
199.06358	1.9
203.06964	3.3
203.10797	2.5
203.14420	9.7
203.17961	99.3
205.15039	1.7
206.05765	6.1
206.16292	1.8
221.04515	2.9
221.06190	2.5
221.08066	25.3
221.11772	5.0
221.15524	23.3
221.19022	62.0
222.11159	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	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16125	0.2
50.55508	0.2
55.05507	0.9
56.96555	0.8
57.03439	0.2
57.07055	0.8
58.83582	0.2
67.05504	1.1
69.03421	0.3
69.07056	0.9
70.06572	0.3
71.04978	0.3
71.37752	0.2
71.59773	0.4
79.05488	0.8
81.03432	0.3
81.07059	2.5
83.04972	0.5
83.08618	0.4
85.06516	0.2
85.37243	0.2
91.05467	1.7
93.07043	1.5
93.55087	0.2
95.04975	0.4
95.08604	2.3
97.06530	0.3
98.97586	0.4
105.07034	2.3
107.04951	0.2
107.08589	1.4
107.76041	0.2
109.02856	0.2
109.06523	0.6
109.10166	1.3
109.71758	0.2
111.04424	0.2
111.08090	0.4
111.28727	0.2
115.05450	1.0
116.06287	0.4
116.98624	0.5
117.07019	4.5
119.04955	0.4
119.08585	2.5
121.06530	0.6
121.10112	1.1
123.04427	0.2
123.08068	0.6
123.11694	0.7
125.09603	0.3
128.06209	1.0
129.06993	0.4
130.06566	0.3
131.04927	0.2
131.08582	0.4
133.06468	1.3
133.10139	1.8
134.07300	0.9
134.99652	0.6
135.08035	0.9
135.11703	0.5
137.05991	0.7
137.09602	0.5
143.08554	1.5
143.85855	0.2
144.05664	0.5
145.06480	0.8
145.10115	0.3
147.04411	0.6
147.08025	0.8
147.11655	1.7
149.02361	1.0
149.05972	0.4
149.09602	0.2
151.07590	0.3
151.11220	0.5
157.06508	0.2
157.10124	0.3
158.01205	0.3
159.11671	0.3
160.05197	0.5
161.06007	1.5
161.09602	0.6
161.13300	1.1
162.06763	4.7
163.11134	0.3
163.14894	0.6
165.05556	0.2
165.09138	0.7
170.10962	0.2
171.08055	0.6
175.02705	0.2
175.07549	2.8
175.11195	0.6
175.14833	0.7
177.09106	100.0
178.07942	0.2
178.09444	0.8
179.14304	0.2
193.08562	0.6
203.03407	0.2
203.07045	0.7
203.10690	0.8
203.14229	0.5
203.17970	1.7
206.05746	0.3
206.16164	0.4
209.06516	0.4
218.07027	0.3
221.04388	0.5
221.07851	1.3
221.09859	0.4
221.11745	1.9
221.15364	2.1
221.19012	1.9
221.22047	1.2
233.57793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05494	0.8
56.96569	1.8
57.03433	0.5
57.07073	1.6
59.05005	0.3
67.05176	0.3
67.05503	1.8
68.05012	0.3
69.03417	1.0
69.07042	0.4
70.06560	0.4
70.92616	0.6
71.04974	0.5
73.02912	0.5
79.05479	0.8
81.03410	0.5
81.07063	1.7
83.04974	0.8
83.08639	0.6
85.02896	1.0
87.04466	0.4
91.05472	2.1
93.07043	1.7
95.04973	1.5
95.08609	1.6
97.02876	0.9
98.97577	1.1
101.05988	0.3
103.05447	0.5
103.61340	0.3
104.82224	0.3
105.07025	2.7
107.04940	0.5
107.08595	1.5
109.02901	0.4
109.06509	0.9
109.10152	1.4
111.04417	0.3
111.08075	1.0
115.05471	1.6
116.06277	0.3
116.07220	0.2
116.98646	1.3
117.07020	3.8
119.01825	0.3
119.04918	0.7
119.08575	2.2
120.08104	0.7
121.06494	1.1
121.10153	1.1
123.04414	0.7
123.08076	0.8
127.03862	0.3
128.02313	0.6
128.06221	1.1
128.98621	0.3
129.07001	0.9
130.06552	3.2
131.04958	0.4
131.08574	0.6
132.04411	0.7
133.06488	1.2
133.10115	1.1
134.07237	0.7
134.99646	0.9
135.08075	0.9
135.11775	0.4
137.02841	0.3
137.05984	1.3
137.09602	1.0
143.04971	0.4
143.08612	1.7
144.05692	0.4
145.06496	0.9
145.10204	0.3
147.04388	1.2
147.08049	1.2
147.11702	0.6
148.07564	0.9
149.06003	0.5
151.03853	0.4
151.07472	0.3
153.00763	0.4
153.09033	0.4
158.05962	1.7
158.99631	0.4
159.07980	0.4
160.05167	0.5
161.06004	2.3
161.09641	0.8
161.13254	0.7
162.06755	4.4
163.07472	0.4
163.11292	0.3
165.09056	1.3
167.07068	0.3
171.08046	0.8
175.07500	3.7
175.08658	0.4
175.11192	0.7
175.14798	0.5
176.07071	2.9
177.00717	1.0
177.09111	100.0
178.08026	0.3
178.09447	1.3
179.06996	0.4
179.10675	0.5
179.14297	1.0
181.08618	0.6
189.05692	0.5
189.09026	0.3
193.08611	0.6
193.15977	0.5
198.06291	0.4
203.06978	0.6
203.10687	1.0
203.14386	0.4
203.17969	0.4
204.06630	0.3
206.16234	0.7
209.05600	0.8
221.04474	0.9
221.08029	2.0
221.11670	2.1
221.15398	2.5
221.18414	0.8
222.07813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46812	0.2
54.62086	0.2
55.01873	0.2
55.05501	0.8
56.96560	0.5
57.03421	0.2
57.07064	0.6
63.72124	0.2
67.05510	1.3
69.03423	0.3
69.07058	0.9
69.18081	0.2
69.82818	1.0
71.01333	0.2
71.04990	0.3
73.02901	0.2
79.05489	0.6
81.07062	4.0
83.04982	0.2
83.08618	0.4
85.02908	0.2
85.06540	0.5
91.05477	1.9
93.07045	1.5
95.04967	0.5
95.08616	2.0
97.06530	0.2
98.97581	0.5
99.04440	0.3
103.05482	0.4
105.07033	2.1
107.04938	0.6
107.08586	1.3
109.06511	0.6
109.10143	1.4
111.04416	0.2
111.08064	0.4
115.05480	1.1
116.06269	0.4
116.98619	0.5
117.07020	4.3
119.05009	0.2
119.08586	1.5
121.06512	0.6
121.10136	1.2
121.39940	0.2
123.04356	0.3
123.08047	0.4
123.11706	1.0
125.09681	0.2
128.06213	1.1
129.06995	0.7
131.04912	1.1
131.08580	0.4
132.05695	0.2
133.06500	1.1
133.10135	1.4
134.07291	0.9
134.99628	0.5
135.08052	0.9
135.11626	0.4
137.05954	0.6
137.09622	0.6
137.13232	0.2
142.07811	0.2
143.08557	1.0
144.05696	0.7
145.02727	0.2
145.06506	1.2
145.10147	0.2
146.07259	0.2
147.04370	0.4
147.08069	0.9
147.11697	1.0
149.02353	0.3
149.06033	0.2
149.09601	0.3
149.13286	0.2
151.03897	0.2
151.07581	0.3
151.11224	0.3
157.06465	0.2
157.10095	0.2
158.01315	0.2
159.08017	0.2
159.11652	0.2
160.05168	0.5
161.05981	2.5
161.09642	0.6
161.13295	0.8
162.03120	0.2
162.06758	4.4
163.03914	0.2
163.07518	0.6
163.11195	0.4
165.06995	0.3
165.09090	0.3
165.12828	0.2
171.08032	0.6
175.02646	0.2
175.04042	0.2
175.07556	3.4
175.11211	0.4
175.14819	0.7
177.09108	100.0
178.08069	0.2
178.09464	1.1
179.07097	0.2
185.13252	0.2
189.09093	0.7
191.07124	0.2
193.05048	0.4
193.08583	0.5
193.15872	0.3
203.07037	0.8
203.10747	1.0
203.14340	0.6
203.17992	0.8
206.16225	0.3
221.04294	0.4
221.06035	0.2
221.07944	1.9
221.11674	1.9
221.15320	1.2
221.17390	1.8
221.18987	0.8
222.11253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.96544	0.7
57.07042	1.2
61.02913	0.6
61.74240	0.6
64.81299	0.6
67.05473	1.1
69.03404	0.9
71.59073	0.8
74.02400	0.7
79.71957	0.7
81.07010	0.9
82.02903	1.9
94.06563	3.8
95.08606	0.8
98.97575	1.3
103.05409	1.0
105.07013	0.9
107.08572	0.7
109.10165	0.7
115.05453	1.7
120.08086	0.8
126.52703	0.6
126.88399	0.6
130.06534	77.1
132.04459	41.8
147.11736	0.7
148.07526	3.0
156.06747	0.9
157.07623	55.8
158.06020	80.8
159.06415	0.8
159.09222	0.7
160.29796	0.7
161.05984	0.8
175.08678	100.0
176.07071	2.0
176.09079	1.1
185.07156	2.1
186.05510	2.7
203.08170	39.0
204.06621	5.0
221.04501	1.1
221.09259	21.9
221.15300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.02369	0.4
52.64745	0.4
55.01868	1.6
55.05507	2.0
56.96563	3.4
57.03428	0.9
57.07079	3.2
59.05002	0.5
62.41015	0.4
67.05501	2.7
68.05040	0.6
69.03432	2.6
69.07053	1.4
69.73309	2.9
70.06568	1.2
71.04987	1.1
72.08151	1.0
73.02903	1.5
73.06560	0.5
74.02455	1.1
77.03926	0.5
79.05490	1.7
79.10064	0.4
81.03415	0.9
81.07059	2.1
82.02934	1.9
82.06570	0.5
83.01347	2.0
83.04974	1.2
83.08643	0.7
83.47532	0.4
84.08138	0.9
84.56213	0.4
85.02935	2.0
87.04441	0.7
90.05542	1.8
91.05417	2.3
93.07027	1.8
94.06571	4.5
95.01339	6.6
95.04946	1.2
95.08612	3.0
97.02901	2.9
98.97572	2.5
99.04450	0.7
101.02407	0.6
101.06019	3.3
102.96862	0.6
103.05472	1.6
104.05022	0.9
105.07016	2.5
107.08584	1.8
109.02852	0.6
109.06525	1.0
109.10166	2.2
111.00801	1.2
111.08028	2.1
114.10264	0.5
115.03928	1.2
115.05448	1.4
116.98632	2.5
118.06482	0.4
118.98313	0.4
119.01818	1.4
119.03383	0.5
119.04923	0.6
119.08595	2.1
120.08112	1.0
121.06499	1.7
121.10137	0.9
123.04441	0.5
123.08031	0.8
123.11716	0.6
127.03878	0.5
128.02448	0.5
128.98590	0.6
129.01855	0.8
129.05481	3.0
130.06531	84.4
131.04947	2.5
132.04457	43.4
133.06499	0.7
133.10124	2.3
134.05998	1.8
134.99657	1.9
135.08055	0.9
137.02347	1.3
137.05974	1.5
137.09618	1.8
141.05460	6.3
143.03416	0.8
146.05992	0.7
146.99640	0.7
147.03255	0.5
147.04410	1.3
147.08044	1.3
147.09172	1.0
147.11696	1.6
148.07561	3.1
149.05923	0.6
151.07489	0.4
153.09039	1.1
155.02782	0.5
155.04639	2.6
155.54861	0.6
156.06775	0.9
157.05019	2.7
157.07620	57.0
158.06017	85.0
158.99612	0.8
159.06425	0.8
159.07867	0.5
159.09200	1.2
160.07558	0.8
161.01237	0.7
161.02911	0.6
161.04750	0.5
161.06003	1.2
161.09686	0.9
161.13257	0.6
162.05441	2.9
163.07556	1.6
164.05194	0.8
165.00626	0.6
165.05539	0.7
165.09084	1.1
174.98622	0.7
175.08678	100.0
175.14746	1.0
176.07144	2.7
176.08992	1.8
176.60745	0.4
177.00758	1.1
177.08995	0.6
179.10677	0.8
185.07091	1.2
186.05504	2.3
189.07869	0.5
193.15932	1.5
203.08170	34.0
203.11038	1.4
203.14352	0.9
203.17973	1.0
204.06567	8.3
204.08479	0.9
206.16182	0.9
215.98210	0.5
221.04564	1.4
221.09247	21.9
221.11865	1.4
221.15239	2.8
221.18388	1.3
222.11261	2.1
223.83318	0.4
231.56917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75912	0.2
53.03938	0.5
55.05514	4.2
56.96554	0.8
57.03424	0.4
57.07070	1.0
65.03947	2.3
65.62727	0.2
67.05501	1.4
69.03440	0.6
69.07056	1.0
69.48473	1.8
69.48881	0.4
71.04991	0.4
73.06540	0.6
79.05499	1.3
81.03413	0.6
81.07059	1.7
83.04978	0.5
83.08641	0.5
85.02908	0.3
85.06528	0.3
91.05479	2.3
93.03391	0.7
93.07063	1.5
95.04960	0.8
95.08615	1.7
97.02894	0.5
97.06500	0.5
98.97571	0.7
100.76434	0.3
103.05537	0.2
104.10761	0.3
105.07029	2.3
107.04942	0.7
107.08614	1.9
109.06512	1.0
109.10176	1.8
111.04439	1.1
111.08079	0.6
115.05421	0.4
116.98598	0.6
117.06994	0.7
119.04922	0.3
119.08585	2.6
121.02880	7.6
121.03979	0.9
121.06520	0.7
121.10131	1.6
123.04410	0.5
123.08060	1.2
123.11680	0.4
125.02333	0.3
125.09628	0.5
128.06265	0.4
129.06993	1.3
130.06493	0.4
131.04907	0.5
131.08583	1.1
133.02930	0.3
133.06493	0.6
133.10139	1.3
135.08076	0.4
135.11691	0.8
137.06013	0.8
137.09639	1.4
139.03905	0.4
143.04951	0.6
143.08604	0.5
145.10121	0.3
146.10457	0.3
147.04430	0.6
147.08063	0.8
147.11703	1.2
149.02345	100.0
150.02715	1.0
151.07552	0.7
151.11252	0.3
153.01860	1.9
158.05975	0.3
160.05235	0.3
161.05984	2.0
161.09645	0.9
161.13264	1.2
162.06769	0.4
163.03963	0.5
163.06308	0.3
163.11180	0.6
165.09079	0.6
167.03432	2.1
171.08076	0.6
174.06693	0.5
175.07544	4.6
175.11166	0.6
175.14830	1.1
176.07198	1.0
177.05502	0.5
177.09126	5.0
179.03456	0.3
189.05493	0.3
190.05049	0.8
191.09737	0.7
193.08562	0.8
193.15813	0.4
193.88318	0.3
201.48340	0.3
203.07054	2.8
203.10890	1.2
203.14316	0.7
203.17960	1.1
206.05768	0.4
206.16318	0.4
221.04495	0.9
221.08015	4.4
221.11591	1.3
221.15427	1.7
221.18602	1.0
222.08398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.05515	5.0
56.96561	2.2
57.03440	0.5
57.07058	1.1
60.35742	0.3
65.03934	2.2
67.05513	1.7
69.03455	0.5
69.07057	1.3
69.94573	1.8
70.06603	0.6
71.04998	0.6
73.06549	1.8
74.39494	0.4
79.05494	1.4
80.64842	0.3
81.03388	0.4
81.07063	3.8
83.04976	0.9
83.08624	0.5
85.06544	0.4
86.87979	0.3
91.05470	3.0
93.03391	0.9
93.07051	2.3
94.97567	0.3
95.04963	1.3
95.08610	2.9
95.36854	0.4
97.02891	0.6
97.06558	0.5
98.97594	0.7
104.10686	0.4
105.07050	3.4
107.04959	0.7
107.08609	2.0
108.57900	0.4
109.06533	0.9
109.10172	1.9
111.04471	0.8
111.08089	0.8
115.05462	0.9
116.55447	0.4
116.98623	1.1
117.07014	1.6
119.04966	1.0
119.08593	2.9
121.02876	8.7
121.03909	0.7
121.06535	0.7
121.10126	1.7
123.08081	0.7
123.11707	1.1
128.06215	0.7
129.07004	0.8
131.04947	0.5
131.08575	0.9
133.06468	1.1
133.10153	2.1
134.07330	0.4
134.99670	1.1
135.08060	1.0
135.11678	1.0
137.05998	1.1
137.09589	0.5
145.10104	0.5
147.04419	1.9
147.08058	0.7
147.11664	1.7
149.02350	100.0
150.02698	0.8
156.13844	0.5
157.10141	0.6
158.01285	0.6
159.11760	0.5
160.05258	0.4
161.05991	2.7
161.09637	0.9
161.13301	1.4
162.06776	1.2
163.03906	0.4
163.07521	0.5
165.05556	0.4
165.06970	0.4
165.09166	0.5
165.12584	0.4
167.03445	2.6
175.02611	1.9
175.03975	1.6
175.07542	4.6
175.08797	0.5
175.11201	0.9
175.14845	1.3
177.05719	0.7
177.09123	30.5
179.07074	0.6
179.10747	0.8
185.13380	0.6
189.05453	0.7
190.05013	0.7
193.03760	2.2
193.08604	0.6
193.15843	0.5
195.09390	0.4
200.07884	0.7
203.03378	3.8
203.06969	2.3
203.10719	0.9
203.14316	0.9
203.17964	1.8
206.05743	0.6
206.16240	0.8
221.04382	2.4
221.06268	0.5
221.08096	4.5
221.11783	2.7
221.15500	2.4
221.17284	0.7
221.18861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01856	0.7
55.05494	1.1
56.96561	1.3
57.07049	2.2
67.05492	1.6
69.03407	1.0
69.07052	1.2
69.77469	3.6
71.04989	0.7
71.05387	0.6
79.05493	0.8
81.07052	1.8
82.02934	1.1
85.02902	0.7
85.36726	0.5
88.56961	0.6
91.05470	1.5
93.07034	1.7
94.06535	2.7
95.04924	1.1
95.08604	2.6
97.02884	0.9
98.20758	0.7
103.05467	0.7
105.07019	1.6
107.04908	0.8
107.08617	1.2
109.06438	1.1
109.10146	1.7
111.04448	0.8
111.08080	1.8
115.05454	1.4
116.98618	1.1
117.05692	0.5
119.08576	1.8
120.08109	1.1
121.06491	1.2
121.10132	0.9
129.06992	0.9
130.06528	42.4
131.04945	0.8
132.04451	30.4
133.06490	0.7
133.10118	1.7
134.06007	5.4
137.05975	1.5
137.09650	1.3
139.88466	0.5
146.06027	1.3
147.06372	1.8
147.08081	0.7
147.09180	1.2
147.11694	0.8
148.07578	2.9
151.11183	0.6
153.09100	0.9
157.06355	0.9
157.07631	18.0
158.06015	65.0
159.06389	0.8
159.96225	0.7
160.07635	3.3
161.05939	1.8
161.09601	0.8
162.05516	11.5
165.05486	1.0
165.09105	1.5
175.08676	100.0
175.14798	1.9
176.07069	2.6
176.08896	0.9
177.00781	0.7
179.55571	0.7
180.85388	0.6
186.05539	4.1
193.15897	1.3
203.03484	0.7
203.08357	1.2
204.06564	17.8
206.16226	1.2
221.04573	1.4
221.09239	34.5
221.15378	2.9
221.17807	1.0
221.66748	0.5
227.40111	0.6
240.01579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	D-Pantothenic Acid
Peak:m/z	Relative Intensity
55.01861	1.5
55.05499	2.3
56.96567	2.8
57.07080	7.0
59.05001	4.9
60.04519	1.6
61.02906	0.9
65.44059	0.9
67.05511	6.0
69.03432	1.6
69.07082	6.2
69.86774	6.1
70.02954	5.7
70.06573	1.0
72.04518	14.7
73.02932	4.8
73.03270	0.9
74.02428	1.8
75.04468	0.9
79.05495	1.0
81.03395	1.6
83.04979	1.6
84.04498	1.3
85.02921	1.9
85.06552	8.4
86.09694	1.4
87.04486	1.2
87.08099	2.3
90.05557	100.0
95.04984	7.5
95.78957	0.9
96.08144	1.5
97.02901	2.8
98.02415	12.5
98.20824	1.5
98.97571	4.1
99.05595	1.0
99.97929	1.8
100.03981	4.4
103.07589	7.4
112.07606	1.1
113.05998	2.5
116.02654	1.5
116.03453	19.8
116.98616	3.5
117.98975	1.9
118.28095	1.0
120.08839	1.1
121.10162	1.5
124.07594	15.8
131.07048	2.2
134.99660	3.2
135.99982	1.0
136.03850	1.1
142.08658	7.0
145.10089	2.0
156.10161	1.5
160.03285	1.9
160.09755	1.5
166.08669	2.6
174.05565	1.0
174.11267	2.7
177.00720	1.6
177.12779	1.8
184.06091	1.4
184.09702	23.6
192.06610	1.7
202.10757	31.9
204.14673	7.6
205.15849	11.4
220.06024	3.9
220.08176	2.0
220.11815	48.6
220.17805	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	220.1695
Annotation	Fabianine
Peak:m/z	Relative Intensity
53.68867	0.2
55.01861	0.3
55.05494	0.6
55.35628	0.2
56.96552	0.6
57.07053	0.8
60.19095	0.2
67.05486	0.7
69.03409	0.4
69.07047	1.0
70.06606	0.3
70.07387	0.2
71.57404	0.4
78.04034	0.3
79.05477	0.6
80.05828	0.3
81.03409	0.3
81.07057	1.2
83.04948	0.6
83.08613	0.5
84.04504	0.4
84.08122	0.3
90.05524	0.9
91.05466	0.7
93.07021	0.5
95.04951	0.9
95.08591	1.1
97.02874	0.3
97.06530	0.5
98.97593	0.5
105.06999	0.8
106.06536	0.2
106.07372	0.3
107.08572	0.7
109.10120	0.8
111.08026	0.3
116.98645	0.4
118.06537	6.7
119.01942	0.6
119.08558	0.7
120.08133	1.1
120.08872	0.5
121.10094	0.8
122.05975	0.4
122.10444	0.3
123.04412	0.3
123.08034	0.5
123.11638	0.5
124.07484	0.2
131.08511	0.3
132.08063	1.9
132.08904	0.4
133.08850	1.0
133.10057	0.7
134.09595	0.4
134.99634	0.3
135.07999	0.3
135.11584	0.3
137.05940	0.3
137.09608	0.4
143.01865	0.6
145.10092	0.5
146.09605	2.5
147.04390	0.2
147.08028	0.4
147.11624	0.3
149.02335	0.4
158.99551	0.3
159.11629	0.3
161.02988	1.1
161.04170	0.2
161.05887	0.4
161.09680	0.4
162.09117	4.2
162.13568	0.4
163.11218	0.3
165.06862	0.3
165.09163	1.4
174.13626	0.3
175.07159	0.7
175.08647	0.2
175.11205	0.3
176.10750	3.2
176.14346	23.7
177.09109	2.4
177.11378	1.0
177.12808	0.5
177.14659	0.4
179.38834	0.3
190.09448	0.5
190.12202	2.3
192.06519	0.6
192.17511	0.3
202.15898	0.8
203.07042	0.4
203.14281	0.4
204.14690	2.2
205.04918	0.4
205.15904	4.1
220.16936	100.0
221.07945	1.2
221.15315	1.2
221.17242	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
56.96566	2.1
57.03447	0.8
57.07083	0.9
65.03960	0.5
67.05533	0.5
69.03446	1.3
69.07082	0.8
70.66428	1.1
72.04533	0.7
73.02936	0.6
79.05503	0.5
81.03429	0.5
81.07041	0.7
83.05013	0.5
83.06102	0.4
84.04495	0.6
85.02909	2.0
90.05566	1.5
91.05486	3.8
92.05833	1.0
93.07065	0.9
95.04974	0.5
97.02907	1.5
98.97599	1.8
104.04991	0.5
105.03421	0.8
107.05000	0.6
107.08614	0.6
111.04449	0.7
116.98639	1.8
119.04933	0.5
119.08582	0.6
120.08961	0.6
121.02881	1.1
121.10194	0.9
122.06013	0.6
122.10513	0.6
124.07697	0.4
128.98645	0.4
129.07050	0.9
130.07338	3.0
131.01903	0.5
131.08575	0.9
132.04489	1.1
132.08878	1.9
134.10486	0.5
134.99690	1.0
137.05989	1.5
141.07054	0.5
142.07347	2.9
145.06145	1.0
146.06969	0.8
146.99690	0.6
150.05507	2.4
151.07579	1.5
158.06931	1.5
159.07683	1.5
160.08496	2.1
161.01236	0.8
161.02899	0.5
161.05872	0.6
162.10121	0.5
164.10640	0.5
170.06848	1.5
171.07664	0.7
174.00749	0.6
174.06676	1.3
175.07132	5.8
176.07997	0.8
177.00775	0.6
178.05003	100.0
179.05322	1.3
179.07062	2.4
179.09361	0.5
187.07101	1.8
189.09006	0.8
190.09462	8.4
192.17461	0.5
199.04378	0.4
202.09399	3.2
204.14716	3.9
205.15900	5.6
206.04497	24.2
208.04958	2.5
210.41377	0.4
219.55666	0.6
220.06052	41.5
220.10474	12.3
220.17799	17.2
237.02629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.68093	0.6
55.01852	0.8
55.05503	2.0
56.96554	1.8
63.02383	0.7
65.77578	0.6
67.05492	1.3
69.81836	4.2
73.58537	0.7
79.05489	1.8
81.07036	2.2
89.45119	0.7
91.05479	6.5
93.07037	1.9
95.08592	2.8
97.06523	1.5
98.97585	15.6
103.05479	1.7
105.07014	1.3
107.08598	1.7
109.10168	1.9
115.05469	6.6
116.06219	2.4
116.98624	6.9
117.07018	3.1
119.08565	2.7
121.10165	3.4
123.04446	0.8
128.06230	6.7
129.07004	30.2
130.07787	1.6
131.04918	5.8
131.08568	26.3
133.10136	2.0
134.99652	2.6
135.11656	0.9
137.05980	3.1
141.06992	27.6
143.04910	1.9
143.08513	2.0
144.05692	4.2
145.06496	5.1
145.10162	1.7
146.07285	3.4
148.05179	0.9
149.06065	0.7
149.13194	0.9
151.03963	0.7
153.05486	0.8
155.08559	1.0
157.06494	16.8
157.95206	0.8
158.07283	16.8
158.99663	2.1
159.04419	2.7
159.08058	23.6
159.11720	1.3
160.05234	4.2
161.05911	1.1
161.09630	2.9
163.07607	1.7
165.05455	1.0
167.03383	2.4
168.05663	0.9
169.06487	12.6
169.07808	1.0
170.07256	6.7
171.07983	1.3
173.06024	3.6
173.09566	1.6
173.13239	0.9
174.06770	59.7
175.07549	10.0
177.00755	3.4
185.05972	0.8
186.06758	15.5
187.07503	1.0
188.08311	2.7
189.09109	75.3
190.09465	1.0
191.07045	1.4
191.10669	6.7
198.09137	0.7
201.09113	33.3
201.16385	0.9
203.14343	4.1
207.09633	0.8
219.10164	100.0
219.17398	18.9
220.10524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05505	1.1
56.96558	1.3
57.03441	0.8
67.05501	1.3
68.04221	0.5
69.07053	1.7
69.35254	0.6
70.24314	2.6
76.24809	0.5
79.05492	1.9
81.07065	1.9
91.05475	8.1
92.02924	0.6
93.07032	2.0
95.04951	1.3
95.08586	1.1
97.06576	2.7
98.21368	0.8
98.97586	3.4
103.05451	2.5
105.07044	3.3
107.08585	1.7
109.06503	0.6
111.04433	0.8
115.05450	5.7
116.06246	2.4
116.98605	2.4
117.07027	3.2
119.08599	2.9
120.61759	0.5
121.06458	0.7
121.10132	3.0
123.04412	1.7
123.08114	0.8
128.06255	4.4
129.07008	24.9
130.07793	1.2
131.04933	5.9
131.08572	23.4
133.06525	0.9
133.10129	3.4
134.99628	1.0
135.08046	1.0
135.11688	0.6
137.05992	1.9
141.06998	19.7
143.04942	1.0
143.08554	1.6
144.05713	4.2
145.06477	5.1
145.10097	2.1
146.07292	2.7
147.08058	1.3
147.11681	1.4
149.05943	1.2
156.05748	0.7
157.06494	12.1
158.07288	12.6
158.99626	0.7
159.04410	2.3
159.08063	18.4
159.11694	2.3
160.05247	4.1
161.06017	0.7
161.09590	2.2
161.13257	1.9
163.07523	1.4
169.06465	8.0
169.07675	0.6
170.07246	4.3
170.10843	0.6
172.95306	0.6
173.06021	3.2
173.09663	1.6
174.06776	46.2
175.07547	9.0
175.14917	0.8
176.04736	0.6
176.08305	0.7
177.00746	0.9
186.06767	10.6
187.07509	2.0
188.08252	2.6
188.11975	0.9
189.09114	61.1
190.09444	0.8
191.06995	1.5
191.10696	5.1
191.14348	0.7
201.09106	26.4
201.16342	1.2
203.14311	11.3
219.10168	100.0
219.17436	45.3
220.10405	1.3
220.17690	0.7
225.82782	0.5
229.79619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05501	3.3
56.96540	1.2
67.05499	2.9
67.71187	1.0
69.03408	2.6
69.07051	3.6
70.84956	1.5
70.85285	2.0
71.04975	1.1
79.05486	4.2
81.07049	2.7
83.04974	7.0
85.87779	1.1
91.05482	11.4
93.07055	5.7
95.04958	1.4
95.08600	1.4
97.06521	4.7
98.21432	1.4
98.97563	6.1
103.05451	1.8
105.07024	5.6
107.08584	14.3
108.62466	1.1
109.06480	2.2
109.10148	2.0
111.04433	1.6
113.06021	1.3
115.05434	5.7
116.06206	2.6
116.98615	4.3
117.07031	5.5
119.08590	6.7
121.10144	5.5
123.04434	2.7
123.08025	1.2
126.45442	1.0
128.06252	5.8
129.07008	23.2
129.07985	0.8
130.07780	2.9
131.04918	6.2
131.08566	31.9
131.09517	2.3
133.10149	5.9
134.99637	2.8
135.08052	45.3
135.11659	1.8
137.05977	3.3
141.06995	23.9
142.07657	1.1
143.08592	2.3
144.01093	1.0
144.05672	4.0
145.06479	6.6
145.10117	4.3
146.07265	3.7
147.08089	1.0
147.11731	1.7
149.05956	1.3
157.06490	16.4
158.07274	14.7
158.10880	2.1
158.99625	1.4
159.04387	1.7
159.08041	19.9
159.11702	4.5
160.05200	4.2
161.09607	4.0
161.13252	3.0
163.07558	4.7
169.06458	11.2
170.07246	5.2
172.09018	1.6
172.95198	1.7
173.05989	3.0
173.09703	1.4
173.13290	7.0
174.06773	55.4
175.07556	8.2
175.14815	1.4
177.00757	1.9
177.12743	1.1
186.06752	14.6
186.10458	1.5
187.11229	1.2
188.08324	3.4
189.09105	73.1
190.09317	1.5
191.10660	6.1
191.14362	1.8
201.09102	28.6
201.12766	1.8
201.16383	3.8
203.14294	17.2
203.16106	1.3
219.10173	100.0
219.13719	25.9
219.17422	74.1
220.10513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05501	1.6
56.96571	1.1
57.03434	1.1
63.76755	0.9
65.52357	0.8
67.05489	2.4
69.07091	1.2
69.53500	0.9
71.05061	2.0
76.21155	0.8
79.05481	2.4
81.07060	1.9
88.23066	0.8
88.75571	0.8
91.05486	7.0
93.07018	1.7
95.04955	1.4
95.08625	1.9
98.97571	2.3
103.05466	4.7
105.07018	3.4
107.08556	1.4
107.18885	0.9
115.05451	5.2
116.06236	2.6
116.98626	1.8
117.07007	3.7
119.08565	3.8
121.10143	3.3
123.04430	2.2
128.06201	5.2
129.07016	25.7
130.07790	1.6
131.04926	12.9
131.08578	26.7
133.06479	0.9
133.10161	4.3
137.02341	1.3
137.05971	2.8
141.06998	23.7
143.04869	1.6
143.08598	2.3
144.05743	4.6
145.06483	6.4
145.10121	3.4
146.07231	2.4
147.08073	1.7
149.06027	7.8
151.03941	2.1
153.07072	1.2
157.06480	14.5
158.07278	15.3
159.04440	1.5
159.08072	18.8
159.11717	1.8
160.05156	3.5
161.09589	4.4
161.13217	2.3
162.06760	1.1
163.07581	3.1
169.06462	9.4
169.07626	1.3
170.07285	5.8
173.06013	2.9
173.09644	3.5
173.13377	1.0
174.06779	52.1
175.07516	7.8
175.08727	0.9
183.08096	0.9
186.06764	13.4
187.07539	1.4
188.08278	2.2
189.09123	69.6
191.07022	1.7
191.10713	10.6
201.07262	1.8
201.09109	31.6
201.16417	2.9
203.07947	1.0
203.14325	10.2
217.98553	1.0
219.10172	100.0
219.13741	2.5
219.17435	43.1
219.19612	1.6
226.20438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05507	4.9
56.05030	1.8
56.96565	30.4
57.03440	3.4
57.07073	0.7
59.05002	0.7
60.04522	1.9
61.02923	5.9
67.05499	1.6
67.37518	0.5
68.05029	0.9
69.03426	4.1
69.07066	1.8
70.00952	1.0
70.01349	1.1
70.06594	6.9
70.98121	10.1
71.01343	3.1
71.04993	2.0
71.95258	1.3
72.08156	17.5
73.02907	3.5
73.06552	2.2
73.08488	3.1
74.02428	0.5
74.03244	0.6
74.06073	4.4
74.97605	2.4
75.04485	2.3
79.05472	0.8
81.03419	2.6
81.07054	1.6
82.06600	0.7
83.00784	1.5
83.01317	0.6
83.04985	1.2
84.04504	11.7
84.08143	40.7
84.96034	1.8
85.02903	8.7
85.04837	0.6
85.06528	1.1
86.09706	20.1
87.04457	1.7
87.07951	0.7
88.03986	0.6
88.99159	7.7
89.10791	1.3
90.09191	4.8
90.11137	1.0
91.03970	1.0
91.05515	1.1
92.01304	0.7
92.98589	0.6
93.07024	1.1
95.01315	0.6
95.08623	1.1
97.02894	5.8
98.03278	0.6
98.06054	0.7
98.97584	100.0
99.02046	0.5
99.04464	1.7
99.97894	0.8
100.03983	0.9
100.07590	0.7
100.51643	0.5
100.99160	0.5
101.00874	1.4
102.05533	1.3
103.03947	1.6
104.01302	1.1
105.07047	0.8
107.00196	3.1
107.04940	0.7
107.08562	0.9
109.02906	1.3
110.09663	2.0
110.97558	1.8
111.04471	0.6
112.07594	0.6
112.99122	1.3
113.01804	2.9
113.02449	0.5
114.05533	0.7
114.09122	0.6
115.02448	0.5
115.03941	0.6
116.07118	3.7
116.98620	86.8
117.98961	0.4
118.03561	0.6
118.08640	0.7
119.01898	4.6
119.08591	1.9
121.01628	0.8
121.10133	2.5
122.02324	2.6
124.07582	0.4
124.99132	0.6
125.01791	0.7
126.02534	0.5
127.03935	2.7
128.02271	0.6
128.07091	0.5
128.98586	5.6
130.02785	0.4
130.05005	13.8
130.07681	1.0
130.08640	15.9
131.00177	3.8
131.01875	1.4
131.03452	0.9
131.08583	0.5
131.96136	0.6
133.01707	0.8
133.03464	3.2
133.10130	2.1
134.99655	46.3
136.00066	0.7
136.93091	0.5
137.02272	0.9
138.09167	2.2
140.00201	2.7
140.02293	0.5
142.08646	0.6
143.00195	1.2
143.01846	0.8
144.06610	0.6
145.03523	0.8
145.04987	1.0
145.10143	0.6
145.97726	0.6
146.02284	0.8
146.06059	0.8
146.99652	12.8
147.03191	1.7
147.05031	1.5
147.11632	0.7
148.03854	1.5
149.01222	6.2
149.02921	0.6
150.01759	0.5
151.02809	0.6
151.04440	1.2
153.00691	6.1
153.03972	1.0
154.02061	0.6
154.94173	1.8
155.02908	0.7
155.11826	0.6
156.01849	0.7
156.03625	0.5
156.06538	0.7
156.10164	4.6
156.13843	2.6
158.01266	3.4
158.99654	8.0
159.01732	0.6
159.02969	3.5
159.04944	0.9
160.09708	1.2
161.01271	1.4
161.02922	3.3
161.04120	0.4
161.13245	1.4
162.06259	0.6
162.99178	1.0
163.02696	0.9
163.04507	0.7
163.98706	0.7
165.00725	18.7
165.04280	0.7
167.02325	1.1
168.01840	0.8
168.03603	0.7
170.05203	1.1
171.05075	0.6
172.95236	5.4
173.01195	1.2
173.02928	2.5
173.07104	0.8
173.12852	4.3
174.11328	1.3
174.14880	3.0
175.04454	0.8
176.03419	1.1
177.00722	46.5
177.02330	2.6
177.04234	2.4
178.04950	1.0
179.02316	1.0
182.03348	0.8
183.01808	3.1
184.09673	9.2
187.00870	0.8
187.04509	0.8
187.11165	0.5
188.02353	1.0
189.00728	3.6
189.06009	0.8
189.13438	1.5
190.96300	4.0
191.02235	1.5
191.04010	2.0
193.64153	0.5
195.01767	38.2
195.05440	1.1
195.96912	0.5
196.04654	0.6
200.02272	3.1
201.00661	0.7
201.12372	1.8
201.15962	1.0
201.59276	0.6
202.10753	1.5
203.14326	11.2
203.98253	0.5
207.01788	6.0
207.03488	0.9
213.02797	1.3
218.03346	1.3
219.01704	8.9
219.05241	2.0
219.06984	3.1
219.10307	1.4
219.11052	0.9
219.13376	12.6
219.17296	51.3
219.55493	0.6
220.11784	1.2
234.81183	0.5
237.02789	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	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.81630	0.6
57.03430	1.1
67.05494	0.8
68.22498	0.7
70.84198	1.0
70.84540	1.1
86.00118	0.6
91.05470	6.8
103.05443	1.9
115.05460	6.4
116.06214	2.6
117.07024	1.7
119.36761	0.6
127.54655	0.7
128.06232	5.7
129.07004	29.6
130.07823	1.1
131.04948	5.2
131.08571	25.3
132.05687	0.7
133.10077	0.6
137.05986	2.7
141.06987	26.9
143.04913	2.0
143.08548	1.8
144.05748	3.2
145.06476	5.8
146.07292	3.4
148.05193	1.3
157.06490	16.6
158.07265	15.4
159.04422	2.9
159.08058	21.3
160.05199	5.2
161.05989	1.5
161.09596	2.1
163.07530	1.9
164.47717	0.7
168.05672	1.0
169.06480	12.1
169.07724	1.0
170.07297	5.4
171.04349	1.1
171.08072	0.7
173.05988	3.4
173.09593	0.9
174.06769	58.5
175.07533	9.6
184.98445	0.6
185.05931	1.2
186.06772	15.4
187.07542	1.4
188.08331	2.7
189.09106	76.7
190.09444	1.8
191.07063	1.0
191.10657	6.5
201.09109	32.6
219.10164	100.0
219.17282	3.0
220.10541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05523	2.3
56.96104	2.4
56.96562	11.4
57.03430	4.2
58.06605	4.5
61.02927	7.0
69.03437	5.6
70.06595	19.7
70.52840	6.9
71.04990	4.4
72.08162	100.0
73.02937	6.1
81.03438	3.5
82.19417	2.5
83.00785	3.2
84.04516	4.1
84.08145	8.1
85.02909	8.5
85.06538	3.7
86.06068	10.2
92.01317	4.5
95.06077	3.3
97.02902	7.9
98.09708	2.5
98.97614	8.6
98.98463	2.6
101.00880	3.1
104.01283	3.8
110.01367	2.7
110.51498	3.4
112.07637	3.8
112.08727	2.7
113.01816	4.5
113.07169	6.3
116.98641	5.5
119.01900	11.6
122.02348	7.0
125.07155	2.3
131.01901	3.6
131.96201	5.3
137.02954	3.8
139.01552	4.6
142.96532	2.7
146.99673	6.3
148.52231	2.6
149.97183	9.5
150.96893	8.5
151.08656	2.6
155.02948	2.9
161.02969	4.0
169.09746	2.4
172.98941	2.3
175.04436	3.6
190.98499	3.0
197.09196	13.7
214.56189	7.2
215.01689	34.3
215.10471	9.7
215.11760	3.7
215.13881	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	217.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
55.05300	1.1
55.05510	11.7
56.05042	2.2
56.96537	1.6
59.04979	1.2
60.04521	1.6
67.05471	1.4
68.05021	1.1
70.06248	1.6
70.06596	24.6
71.04973	3.8
71.43884	2.7
72.08159	18.5
79.05507	1.1
83.04994	15.2
84.04517	10.4
84.08150	6.1
85.02901	6.6
85.06560	1.7
86.06074	4.0
88.07643	7.4
89.06018	3.7
89.10812	1.6
95.06102	1.2
96.04478	3.2
98.85784	1.1
98.97542	1.8
99.04499	1.4
101.06026	6.8
102.05540	4.7
106.57063	1.0
108.08105	2.8
111.04453	26.0
112.07590	3.6
112.08715	2.9
113.06010	3.2
113.07128	2.7
114.09196	1.8
115.08681	4.5
116.07105	6.5
119.01933	5.4
126.08289	2.1
126.09155	22.0
127.07573	2.6
128.07068	1.8
129.05444	5.2
130.05005	23.3
130.08638	2.4
130.09680	1.1
137.02921	2.5
137.10751	3.0
138.09151	5.3
138.61789	1.1
145.03447	4.3
154.08635	63.8
155.07030	31.2
155.11769	2.5
157.09685	2.6
158.08124	13.5
158.09309	2.8
163.04459	2.9
171.11296	3.5
172.09731	2.3
173.08105	26.8
175.11942	3.0
199.09489	2.3
200.09058	20.0
207.03444	1.7
217.06853	100.0
217.10677	20.9
217.12936	19.2
217.15317	2.3
218.06714	2.2
231.19637	1.2
235.07999	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53111	1.7
51.53362	2.0
53.03941	2.3
55.01867	6.0
55.05264	2.3
55.05514	38.0
56.96555	6.9
57.03431	6.1
57.07072	9.8
59.04998	4.6
59.06113	1.7
65.03923	2.8
65.44613	1.9
67.05506	24.0
69.03414	5.9
69.07073	84.2
71.05000	18.9
71.08617	2.8
71.60213	2.7
72.05341	2.0
72.08148	3.0
72.93774	2.0
79.05496	14.0
81.07061	55.2
83.04974	7.2
83.08619	18.8
85.02889	7.3
85.06548	31.8
88.07626	4.1
91.05463	6.9
93.07047	31.2
95.04977	6.6
95.06894	1.8
95.08614	80.4
97.02934	2.9
97.06526	10.1
97.10180	20.8
98.09731	2.6
98.97565	8.3
99.04454	2.5
99.08087	31.7
103.05457	1.9
105.07034	4.5
107.04951	14.7
107.07874	2.7
107.08598	53.0
109.06499	4.2
109.10161	46.2
111.08096	11.8
111.11716	8.3
113.09657	12.8
116.98620	8.9
119.08573	4.3
121.10151	78.4
123.08115	2.3
123.11699	14.1
125.05972	7.5
125.09659	11.1
129.06990	4.8
131.08495	3.3
133.10094	2.5
134.99640	5.2
135.04408	3.4
135.08054	5.4
135.11705	37.7
137.09653	2.4
137.13251	33.7
139.11150	9.4
141.07056	2.6
142.07787	3.0
143.08536	6.5
149.09592	2.1
149.13240	9.0
150.06165	2.1
151.03885	2.2
151.14809	6.1
153.05437	8.0
153.06769	2.1
153.09169	2.8
153.12778	13.0
154.06013	2.0
157.10146	9.6
158.99623	2.9
159.11642	2.5
161.01137	2.3
163.03902	6.8
165.06993	3.7
167.07091	9.3
167.08389	2.8
169.10062	2.7
169.59195	2.2
171.11687	7.1
177.00749	4.4
177.16394	100.0
180.09286	2.8
181.04939	6.1
185.05870	2.6
185.13197	4.5
190.03798	2.5
190.98682	2.1
195.06560	5.1
195.10049	2.1
195.11713	2.8
195.13643	2.4
195.17456	24.3
213.05379	4.6
213.07466	4.2
213.09258	4.0
213.12932	10.1
213.16374	13.0
213.18475	16.9
214.08664	1.9
214.10876	2.7
222.58752	1.9
233.59232	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03938	1.3
55.01869	3.1
55.05510	14.1
56.96559	3.5
57.03427	1.6
57.07080	4.7
57.44563	0.8
67.05503	10.2
67.53905	0.8
69.03435	3.4
69.07070	17.4
70.06583	1.2
71.04990	5.5
71.59586	1.2
72.08150	2.0
73.84398	1.0
79.05492	10.7
81.03419	1.0
81.07060	23.7
83.04973	1.3
83.08627	12.1
83.98259	0.7
84.08133	1.2
85.02894	1.5
85.06546	5.0
88.07606	1.4
91.05482	3.2
93.07042	18.1
95.04946	2.2
95.08607	39.3
97.02879	0.9
97.06524	3.2
97.10185	7.3
98.97588	8.6
99.08099	28.7
105.07030	4.7
107.04958	3.8
107.08596	38.5
109.06509	2.1
109.10165	10.1
111.04447	1.3
111.08082	15.6
113.09648	3.1
114.10291	3.8
116.98631	6.9
119.08559	2.6
121.06493	1.0
121.10145	56.7
123.08049	3.6
123.11699	3.4
125.06021	2.3
125.09647	6.4
129.06993	1.0
130.96346	1.1
131.08542	1.4
133.10094	1.1
134.99644	4.0
135.04375	1.3
135.11699	14.3
137.13268	8.3
139.11208	2.1
143.08574	1.9
149.09654	3.4
149.13214	5.9
151.04002	1.2
153.05411	1.7
154.15907	12.0
157.10146	1.6
158.99631	2.2
167.07085	4.3
167.08417	1.2
167.10698	2.1
171.11740	1.5
177.00774	6.6
177.09090	1.8
177.16391	100.0
178.16710	1.1
185.07225	1.1
185.09610	1.7
185.13287	1.7
195.10155	1.4
195.11705	1.9
195.13908	1.4
195.17451	16.3
202.06825	1.1
213.05602	1.8
213.07521	1.1
213.09192	2.5
213.12816	3.1
213.16420	3.0
213.18518	13.3
213.20686	2.6
214.08652	1.5
214.10744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03957	2.7
55.01874	4.6
55.05514	27.4
56.96569	3.6
57.03429	7.1
57.07067	9.9
59.04994	2.2
65.03922	2.8
67.05224	2.4
67.05511	28.4
69.03423	6.1
69.07072	42.6
69.91341	10.7
70.06583	3.1
71.04999	26.9
73.14317	2.1
79.05489	25.4
81.07063	76.7
83.04956	6.9
83.08611	22.8
85.02905	6.0
85.06553	17.6
87.73454	2.2
88.07635	6.2
91.05491	14.8
93.07047	50.8
95.04955	8.2
95.08611	93.6
97.06535	7.9
97.10155	13.1
98.21428	2.7
98.97541	3.0
99.04445	2.3
99.08089	17.4
105.07032	10.0
107.04962	20.3
107.08595	66.7
109.06523	2.5
109.10159	45.3
111.04437	5.5
111.08080	11.6
111.11757	3.6
113.09648	5.8
116.98640	4.4
117.07010	3.2
119.08578	6.1
121.06506	3.4
121.10148	94.2
123.11709	9.1
125.05995	5.3
125.09625	9.4
128.06216	4.3
129.06976	5.0
131.08586	5.0
133.10123	3.3
134.99678	3.3
135.04430	3.2
135.08089	4.3
135.11697	35.0
137.13268	28.5
139.11192	9.6
142.07767	4.6
143.08530	3.0
149.09641	3.9
149.13257	11.7
151.03870	3.1
151.14880	2.4
153.05415	9.3
153.06593	2.3
153.09074	4.5
153.10255	3.3
153.12726	7.7
155.08571	3.5
157.06458	3.2
157.10150	7.4
159.11769	4.0
163.03896	3.5
163.07547	9.1
165.06964	3.6
167.07085	26.5
170.03540	2.9
170.10931	3.8
171.08051	2.6
171.11790	4.1
177.09184	3.4
177.12834	3.9
177.16399	100.0
185.09592	3.5
185.13272	4.8
195.06534	5.1
195.10147	6.8
195.11716	6.2
195.13631	2.9
195.17456	21.9
213.05577	11.7
213.07350	5.0
213.09155	8.1
213.12833	16.4
213.16389	6.1
213.18510	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03938	2.7
55.01874	6.4
55.05513	23.0
56.05028	2.1
56.96562	7.8
57.03442	3.4
57.07083	9.6
59.05001	2.7
65.03936	3.3
67.05505	22.0
69.03430	9.2
69.07068	32.2
70.06578	4.5
70.87579	5.2
71.04999	15.9
72.08185	2.2
79.05496	25.4
81.03427	3.2
81.07059	40.3
82.03756	2.4
83.04968	9.7
83.08624	17.2
84.04504	2.5
84.08138	2.6
85.02918	2.5
85.06562	15.3
86.09720	2.2
87.08124	2.7
88.07645	7.3
91.05481	18.4
93.07046	33.5
95.05007	9.4
95.08611	49.7
96.08971	2.7
97.02912	4.6
97.06554	11.1
97.10162	10.8
98.97610	8.4
99.04498	2.2
99.08098	23.3
105.07037	19.2
106.07904	1.9
106.38195	2.0
107.04955	14.4
107.08601	62.8
107.09293	3.9
109.06522	12.8
109.10150	19.6
110.07334	3.2
110.10493	3.3
111.04433	5.2
111.08092	12.6
111.11714	2.5
113.04221	5.1
113.06005	7.2
113.09655	3.4
116.98622	7.2
117.07050	3.4
119.04971	7.2
119.06054	4.2
119.08595	7.9
121.06506	4.8
121.10148	100.0
122.10486	7.9
123.08073	29.5
123.10867	4.1
123.11742	5.4
125.06021	6.6
125.09637	11.6
128.06230	3.0
129.06992	3.1
131.08606	9.5
133.10150	7.6
134.10507	2.9
134.99658	9.7
135.04430	4.7
135.08026	10.9
135.11702	22.4
137.06036	3.1
137.12343	2.5
137.13249	10.1
139.07561	4.5
139.11195	5.1
140.04709	2.5
141.03711	6.2
142.07814	4.0
143.08569	4.4
146.99715	2.2
148.97380	3.8
149.09625	37.4
149.10741	3.0
149.13297	8.0
151.03934	4.1
151.11160	3.7
151.13837	2.4
151.14900	2.4
153.05495	6.7
153.09099	3.5
153.12737	3.5
157.10135	5.1
158.99695	3.5
159.08069	2.2
159.11687	5.0
163.03952	5.4
163.07503	2.9
167.05298	4.6
167.07069	12.9
167.08499	3.6
167.10698	11.9
169.08641	12.7
169.09895	2.2
170.10973	2.6
177.00732	4.4
177.09122	51.8
177.12746	5.6
177.16432	67.0
181.04984	4.4
185.07336	2.6
185.09549	2.6
189.12778	2.1
195.04849	2.2
195.06474	3.9
195.10175	21.3
195.11702	3.8
195.13837	7.5
195.17703	12.1
213.05707	9.3
213.07620	6.4
213.09166	6.8
213.10997	39.3
213.13017	2.8
213.16405	5.9
213.18510	10.1
214.08701	2.4
223.61414	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.86248	0.6
53.03939	0.8
55.01883	3.2
55.05266	0.8
55.05514	11.2
57.03439	0.8
57.07085	3.7
64.30518	0.6
67.05515	3.5
69.03407	1.8
69.06721	1.2
69.07072	17.4
70.07064	1.9
70.07471	1.0
71.04993	3.5
71.08635	1.1
78.76021	0.7
79.05504	4.2
81.06582	0.9
81.07063	15.6
83.08627	11.7
85.06573	3.7
91.05471	2.4
93.07055	13.6
95.08614	34.5
97.10182	10.6
98.20832	1.0
98.97544	0.9
99.08102	27.1
105.07048	1.8
107.08603	34.0
109.09465	0.8
109.10172	8.8
109.18935	0.6
111.08100	14.0
111.11737	1.2
113.09630	2.9
114.02304	0.7
121.10154	59.4
123.08054	0.9
123.11779	1.2
125.09635	8.9
125.13291	0.9
131.08655	0.6
132.46361	0.7
135.11707	11.3
137.13280	7.9
139.11176	1.8
149.13274	4.9
151.14722	1.0
177.16402	100.0
178.16623	0.7
189.40176	0.7
195.17465	14.9
213.12703	0.8
213.18512	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.26684	1.0
53.03942	2.1
53.05465	1.2
55.01863	2.1
55.02420	1.1
55.05510	18.8
57.03439	5.6
57.07075	11.8
67.05169	2.0
67.05505	27.1
69.07071	11.1
70.88927	3.8
71.04977	2.4
79.05489	16.8
81.07058	37.4
83.04984	11.3
83.08622	6.4
84.32359	1.2
85.06545	8.5
87.47631	1.2
88.07634	2.3
91.05473	9.3
93.07047	36.0
95.04967	3.6
95.08612	19.6
97.06522	11.0
97.10152	1.4
98.97546	1.2
99.08100	1.7
105.07035	6.0
107.04993	1.2
107.08598	32.4
109.06532	4.8
109.10157	4.3
111.04441	100.0
111.08058	7.0
113.06052	2.5
116.98667	1.3
117.07025	4.3
119.08560	3.3
119.60085	1.2
121.06509	4.5
121.10154	9.2
123.08060	2.5
123.11726	1.6
125.05993	28.4
127.07559	3.3
129.07024	1.7
130.07799	2.1
131.08578	3.6
133.10123	3.3
135.08054	17.0
135.11687	27.4
137.13234	1.9
139.07553	5.0
139.11279	1.3
143.08537	2.3
145.10135	18.1
149.13280	15.5
153.12724	6.2
157.10197	3.1
159.11668	7.2
163.11191	23.6
171.08051	1.2
171.11620	1.5
177.12750	3.7
181.12233	56.4
185.13235	1.5
192.74251	1.1
195.11980	1.3
195.13760	7.3
213.09233	1.6
213.12785	5.0
213.16544	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	213.1487
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.01883	7.0
55.05511	31.7
56.96570	100.0
57.03426	15.0
57.07073	20.2
65.03932	4.2
67.05508	68.0
69.07073	33.0
70.06576	4.6
70.98107	4.9
71.04987	16.0
71.08626	18.3
71.59784	6.3
79.05512	35.1
81.07066	83.7
83.04994	9.0
83.08622	19.5
84.84669	4.6
88.07635	11.3
91.05475	17.4
93.07056	54.3
95.04949	7.2
95.08629	30.6
97.06540	22.0
97.10169	8.3
99.08109	14.9
105.07043	16.2
107.04939	6.1
107.08600	27.0
109.10198	8.1
111.08103	8.5
117.07009	6.7
121.06480	5.5
121.10142	22.2
131.08586	9.9
133.10124	5.7
135.08112	5.3
135.11687	10.0
137.02333	13.4
141.05661	8.0
142.06499	17.1
143.08549	5.2
148.06384	5.3
148.94456	5.5
149.13234	30.7
150.06261	8.2
151.07019	27.6
157.10143	12.4
159.11783	13.6
161.02965	12.6
162.57845	8.2
163.10686	5.9
167.07037	6.3
167.09021	6.5
171.11714	5.2
172.11160	8.2
173.04907	5.8
176.09616	32.9
177.12793	9.7
177.16328	4.3
183.10468	4.9
185.10135	35.7
185.13394	6.4
185.60254	7.3
187.60471	12.2
192.10913	9.4
193.03961	4.4
195.11804	7.8
195.13876	12.1
196.60886	5.5
200.18558	4.4
201.11478	17.1
212.62198	5.8
213.09358	6.9
213.12758	16.9
213.16359	12.9
213.24126	12.2
217.07445	5.9
234.22206	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.05516	16.6
57.03439	2.3
57.07072	10.7
59.95396	0.8
64.61088	0.8
67.05516	5.7
69.03423	2.1
69.07070	5.2
70.72819	3.0
71.05003	1.3
72.93842	0.9
79.05505	4.7
81.07061	9.2
83.04995	9.3
83.08619	1.9
85.06552	5.3
86.08575	0.9
88.07637	2.0
91.05471	5.3
93.01441	0.9
93.07051	15.5
95.04974	2.8
95.08616	13.4
97.06550	7.0
99.08086	0.9
104.66695	0.9
105.07034	5.6
107.04964	1.4
107.08606	23.1
109.06520	5.3
109.10172	4.0
111.04449	100.0
111.08084	3.7
112.04793	0.9
113.05968	1.1
117.07028	2.0
119.08583	3.9
121.06514	4.0
121.10165	4.6
122.07291	1.5
123.08079	2.0
125.06001	29.4
125.09619	1.0
127.07561	3.2
129.07011	2.1
130.07790	1.7
131.08574	1.1
133.10095	1.8
135.08070	14.6
135.11702	22.1
137.13266	1.8
139.07565	6.0
142.07770	1.8
143.08601	3.7
145.10133	19.1
149.03767	1.0
153.12717	5.4
157.10158	4.0
163.11188	22.2
167.07117	1.6
171.11728	3.0
177.09123	1.0
177.16393	1.5
181.12244	59.3
182.12605	1.4
185.13379	1.6
194.03778	0.9
195.10130	1.0
195.11992	2.1
195.13858	4.9
212.51543	0.9
213.09070	2.3
213.13063	6.6
213.14825	2.0
213.16518	7.4
219.27829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.57925	1.6
53.03942	2.9
53.96128	1.8
55.01887	3.5
55.05507	17.7
56.96597	4.0
57.03445	10.9
57.07075	8.2
61.36488	1.8
65.03940	2.5
67.05509	72.3
69.06718	2.6
69.07075	30.8
69.87121	12.2
71.04990	7.0
71.99622	1.9
78.20508	1.8
79.05492	33.0
81.03414	2.5
81.07060	100.0
83.05003	12.0
83.08624	17.7
85.02888	2.1
85.06546	4.0
88.07618	9.0
91.05479	16.7
93.07050	64.8
95.04971	5.6
95.08601	25.4
97.06557	14.1
97.10174	2.0
99.08068	4.5
105.07056	8.4
107.08597	32.5
109.06498	4.8
109.10163	4.2
111.08083	10.5
117.07017	8.3
119.08576	3.5
121.10147	21.0
123.11720	2.8
127.07573	2.4
129.07031	4.4
131.08562	10.2
133.10114	10.6
135.08060	3.7
135.11714	11.8
139.07559	2.0
143.08549	2.4
148.94385	2.3
149.09660	4.0
149.13268	50.7
151.11169	1.9
157.06599	2.1
157.10130	5.3
158.01318	2.1
159.11731	17.7
167.07013	2.5
171.11736	4.0
177.12791	11.5
180.09354	2.4
185.13281	2.6
195.10149	2.2
195.11873	4.5
195.13844	11.4
213.09152	4.7
213.13022	9.3
213.16388	11.2
231.91739	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03944	5.8
55.01860	5.4
55.05512	19.6
56.96563	7.1
57.03438	12.3
57.07056	7.1
59.04992	3.0
65.03958	2.6
67.05511	73.8
68.51684	2.4
69.03418	4.1
69.07073	30.2
71.05006	14.3
71.08627	2.7
73.02907	2.7
79.05502	40.8
81.03426	5.6
81.07065	100.0
83.04984	15.3
83.08626	17.1
85.06546	6.2
88.07623	8.8
91.05495	21.8
93.07053	74.0
95.04969	10.6
95.08627	24.5
97.06539	17.4
97.10161	3.6
99.04462	2.8
99.08089	5.7
100.71255	2.3
105.07047	7.7
107.04951	5.0
107.08618	30.2
108.08923	3.6
109.06505	2.8
109.10147	5.3
111.08067	12.9
113.13441	2.3
117.07045	12.2
119.08586	7.2
121.06508	4.5
121.10162	26.5
128.06175	4.8
129.07028	8.6
131.08630	15.9
133.10130	9.3
134.99646	2.3
135.08093	4.5
135.11684	13.9
142.07808	5.8
143.08562	10.4
145.10141	4.7
146.99672	3.1
149.09645	3.7
149.13274	53.7
153.09190	2.9
156.09343	4.0
157.06468	3.7
157.10124	11.0
159.11708	23.0
167.07155	4.9
167.08444	3.1
169.10138	2.8
171.07945	3.6
171.11681	6.9
177.12738	8.4
177.16548	3.3
185.07234	3.2
185.13339	3.6
195.11728	7.6
195.13802	10.8
198.06918	2.8
213.05440	3.7
213.09209	5.7
213.12918	19.3
213.16396	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	213.1487
Annotation	Modiolin
Peak:m/z	Relative Intensity
51.57263	7.0
53.03938	8.1
55.05508	29.5
56.96563	21.4
57.03450	12.9
57.07071	17.4
67.05508	64.5
69.07066	41.1
70.06602	9.4
71.05002	11.6
79.05480	30.1
81.07063	100.0
83.05000	10.6
83.08601	18.9
88.07643	15.5
91.05489	34.3
93.07050	70.9
95.04982	12.9
95.08635	32.3
97.06544	17.3
99.04446	8.3
105.07038	17.3
107.04910	6.9
107.08598	37.2
109.10169	9.3
111.04452	5.5
117.07032	11.2
119.08595	12.8
121.10184	32.0
128.06178	8.8
129.06995	13.8
131.08554	13.1
135.11714	21.0
137.05977	27.8
143.08554	23.1
145.10110	8.3
149.09631	7.3
149.13277	31.5
153.09172	8.9
157.10117	17.8
159.11688	21.8
167.07051	14.9
171.11673	12.4
172.17027	7.4
177.09100	8.3
177.12711	11.9
181.58636	6.5
185.13289	11.4
195.11794	12.8
195.13818	24.4
213.07368	8.5
213.09299	10.8
213.12689	26.4
213.16431	37.3
226.11501	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.86809	5.1
55.05493	18.0
56.20828	6.3
56.96559	13.2
57.03436	13.7
57.07084	9.4
67.05505	71.5
69.07072	39.1
71.04993	19.4
71.60694	9.3
79.05495	47.7
81.03425	6.2
81.06635	8.9
81.07070	100.0
83.04977	15.8
83.08607	17.3
85.06552	8.3
88.07616	14.6
91.05470	26.2
93.07052	72.5
95.04973	13.9
95.08622	35.7
97.06535	18.8
97.10168	5.6
99.04480	8.3
105.06998	27.2
107.04951	17.0
107.08588	38.4
109.06506	5.8
109.10168	11.2
111.08089	10.5
111.39695	6.1
117.07034	13.6
119.08584	7.3
121.10142	31.7
125.09691	6.1
128.06235	10.9
129.06987	20.6
131.08586	14.2
133.10129	16.8
134.99651	5.7
135.11690	21.0
142.07790	15.9
143.08572	29.4
145.10056	7.8
147.14160	5.2
149.09573	9.7
149.13235	49.2
155.08607	8.6
156.09326	14.5
157.10123	40.2
159.11694	23.2
165.07001	8.1
167.07010	16.3
169.10144	8.1
170.10925	7.7
171.08138	8.7
171.11716	30.5
177.09224	7.1
177.12769	10.1
177.16414	10.3
180.09401	7.4
183.11620	6.0
185.13324	17.6
195.10091	8.4
195.11690	16.4
195.13834	14.8
213.09196	20.2
213.12883	51.2
213.16406	68.5
223.41470	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03947	0.6
55.01874	0.7
55.05511	0.9
56.96554	0.4
57.03429	0.5
61.09649	0.3
63.00060	0.4
65.03925	0.8
67.05511	1.3
69.03435	0.8
69.07067	1.0
69.54712	2.5
70.06596	0.6
71.04978	0.5
72.08149	0.4
77.03923	0.5
78.04715	1.7
79.05494	9.8
81.03426	0.7
81.07063	1.7
83.04983	0.9
83.08632	0.4
85.02906	0.6
85.06536	0.8
91.05482	4.2
93.07042	1.7
95.04980	4.0
95.08575	1.6
97.02877	0.5
97.05414	0.4
97.06538	1.1
98.21543	0.7
98.97577	1.5
99.04445	0.4
103.05478	7.5
105.04504	0.4
105.07034	5.8
106.04182	1.0
107.04959	58.8
107.08603	1.9
108.05284	0.4
109.06518	1.0
109.10140	1.0
110.03712	0.5
111.04476	1.1
115.05481	2.9
116.98623	1.1
117.07008	1.4
119.04918	0.8
119.08577	0.9
120.05745	2.2
121.02874	0.5
121.06496	1.1
121.10165	0.8
122.03708	0.5
123.04453	5.1
123.07973	0.4
124.05225	3.0
125.05994	4.3
125.09608	0.5
131.04898	1.6
131.08578	0.4
133.02893	0.5
133.06491	0.9
133.10155	0.5
134.03685	0.4
134.99638	0.5
135.04443	2.4
135.08060	16.5
135.11702	0.6
137.05954	1.6
137.12308	0.4
139.03917	0.6
139.07529	0.9
145.07602	1.0
145.10298	0.4
147.04405	1.0
148.97354	0.5
149.02393	0.4
149.05980	1.0
149.09697	0.5
151.03918	1.4
151.07588	0.4
152.04645	2.6
153.05464	2.2
153.09177	0.5
154.01462	0.4
154.06218	2.6
155.08644	0.4
158.99638	0.5
163.03949	3.1
163.07553	29.5
165.05495	0.7
165.06889	0.3
165.09148	0.4
167.07048	100.0
168.07387	1.5
171.08044	0.5
177.00746	0.8
177.09108	0.9
177.12708	0.4
177.16385	0.7
180.07834	3.0
181.04933	2.3
181.08652	0.8
195.06538	1.1
195.10182	19.5
195.11586	0.7
195.13760	0.6
213.05525	1.1
213.07576	0.9
213.09242	0.7
213.11072	4.4
213.12781	0.7
213.14500	0.4
213.17763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03944	1.2
55.01868	4.4
55.05309	0.5
55.05515	5.4
56.96565	2.5
57.03431	1.2
57.07065	2.1
59.05016	0.6
65.03925	1.0
67.05512	5.6
69.03436	2.9
69.07072	6.8
69.65639	2.2
69.66066	1.7
70.06575	0.8
71.04999	4.3
71.08632	0.7
78.04708	0.7
79.05498	6.5
81.03411	1.2
81.07062	7.5
83.04974	1.5
83.08609	4.4
85.02911	1.8
85.06543	8.5
87.04468	1.3
88.07607	0.9
91.05482	11.7
93.07049	8.6
95.04980	2.9
95.08606	9.7
97.02892	1.6
97.06528	3.2
97.10162	1.3
98.97578	2.0
99.04449	1.1
99.08107	3.2
103.05447	1.4
105.03416	1.1
105.07035	5.2
107.04956	9.7
107.08598	11.5
109.02880	1.3
109.06538	3.1
109.10155	4.5
110.03687	1.0
111.04414	1.5
111.08083	2.1
111.11745	1.2
113.05995	3.3
113.09660	1.0
115.05507	0.9
116.98629	2.4
117.06988	1.0
119.04945	7.5
119.06164	0.5
119.08566	2.2
120.05725	0.8
121.06516	8.2
121.10148	18.7
123.04427	1.2
123.08084	4.8
123.11710	1.0
124.05244	0.9
124.07661	1.3
125.05996	36.5
125.09642	1.8
127.03919	1.2
128.06192	0.7
129.06967	1.0
131.08556	1.7
133.02846	1.0
133.06569	1.2
133.10139	1.5
134.99643	1.9
135.04411	1.9
135.08080	4.3
135.11690	4.6
137.05942	1.8
137.09634	1.1
137.13243	1.7
138.09143	0.7
139.03931	0.8
139.07524	3.4
139.11185	1.2
140.04834	1.0
143.08548	1.0
148.97337	1.2
149.05992	4.9
149.09634	8.9
149.13275	1.7
150.06734	1.1
151.03877	0.8
151.07541	1.3
152.04697	5.3
152.05907	0.7
152.06265	0.6
153.05469	100.0
153.12743	1.8
154.06062	1.7
157.06480	0.8
157.10097	1.1
158.99677	0.9
159.07993	0.7
159.11731	1.1
163.03859	1.3
163.07497	3.9
164.08325	2.0
165.05502	6.1
165.06827	1.2
165.09151	0.5
167.07050	54.1
167.10646	2.8
167.14279	0.7
168.07443	0.6
169.06334	0.6
169.08662	3.9
171.11742	0.8
177.05515	0.9
177.09126	13.1
177.12761	2.2
177.16396	6.0
180.07840	7.8
185.07086	0.9
185.13232	1.2
186.05490	3.5
189.97667	0.5
195.06540	33.3
195.10179	25.7
195.11716	1.6
195.13884	2.2
195.17461	1.2
196.06926	0.7
196.10695	0.6
213.05588	1.2
213.07587	5.6
213.09172	1.6
213.11055	11.0
213.14676	1.1
213.16573	1.0
213.18486	2.1
214.08777	3.2
214.14413	0.8
234.02547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	3,4,5-TRIMETHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03945	1.2
55.01873	5.5
55.05512	6.6
56.96598	0.9
57.03437	1.3
57.07071	1.3
65.03944	0.9
67.05511	4.0
68.99787	0.4
69.03432	1.8
69.07071	3.6
70.06579	1.0
71.04994	4.0
71.60088	0.5
72.08158	1.2
78.04714	1.0
79.05505	6.7
80.50034	0.4
81.03418	1.2
81.07059	7.0
82.04222	0.5
83.04975	1.5
83.08619	4.0
85.02896	2.1
85.06548	3.1
86.09708	1.3
87.04486	2.1
88.07639	1.4
90.70594	0.4
91.05490	7.3
93.07047	8.2
94.40525	0.4
95.04986	3.6
95.08611	5.9
97.02915	0.9
97.06535	4.5
97.10166	1.2
98.97572	1.2
99.04442	1.3
99.08075	1.0
103.05451	3.2
104.06288	0.7
105.03387	0.6
105.07056	3.4
106.04202	0.5
107.04961	14.1
107.08591	7.0
107.28231	0.4
109.06518	1.8
109.10152	1.9
110.03701	0.6
111.04449	1.0
111.08083	1.7
111.22460	0.4
113.06011	6.9
113.09621	0.5
115.03942	0.9
115.05470	0.9
116.06226	0.5
116.98609	0.9
117.07072	0.5
119.04935	4.2
119.08598	1.9
120.05721	1.0
121.06512	8.5
121.10149	6.5
123.04410	2.0
123.08057	1.4
123.11698	0.6
124.05225	0.5
124.07580	1.3
125.05995	33.9
125.09667	1.3
127.03938	0.6
128.06223	0.5
128.98570	0.5
129.06989	0.7
130.96359	0.4
131.04964	1.0
131.08517	0.8
133.02850	2.9
133.06514	2.9
133.10114	1.4
134.99623	0.7
135.04388	2.6
135.08055	5.2
135.11696	7.9
137.06006	3.0
137.09610	1.3
137.13292	1.5
138.06657	0.6
139.03906	0.6
139.07538	3.1
139.11195	0.5
142.07817	0.7
143.08585	1.0
147.04420	0.6
148.05148	1.0
148.97363	1.2
149.05981	5.6
149.09616	1.8
149.13251	3.2
150.06783	3.3
151.03932	1.6
151.07567	2.0
151.11169	0.5
152.04718	4.9
152.05882	0.7
153.05475	100.0
153.12697	2.7
154.06039	2.4
157.06496	0.5
157.10159	1.0
159.11684	2.0
161.05992	0.9
162.06757	1.4
163.03886	0.5
163.07552	6.6
164.08351	5.1
165.05490	11.8
165.09177	1.1
167.07050	57.1
167.10680	1.1
167.14355	1.5
168.07426	0.9
169.08638	0.4
171.11717	0.7
177.05484	1.9
177.06857	0.5
177.09123	2.9
177.12755	3.8
177.16350	3.3
179.06996	1.0
180.07835	15.6
181.07628	1.4
185.07144	1.8
185.09753	0.6
185.13361	0.8
186.05516	0.7
194.23712	0.4
195.06546	35.1
195.10184	47.2
195.13814	4.5
195.17447	0.8
196.07001	0.6
196.10605	0.5
213.05766	0.9
213.07561	6.3
213.09262	1.2
213.10884	4.5
213.12808	1.4
213.14799	0.8
213.16577	0.9
213.18529	0.9
214.08647	1.3
214.14400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01880	4.0
55.05507	1.0
56.96555	1.7
57.03431	0.8
57.07088	0.4
59.06115	0.6
65.03936	1.1
67.05496	1.8
69.03417	1.7
69.07053	1.2
70.06590	1.4
71.04962	0.6
71.59679	0.9
73.02905	0.5
79.05501	3.8
81.03373	0.4
81.07046	1.8
83.04984	1.2
83.08617	0.8
84.08135	0.4
85.02913	1.2
85.06530	0.6
85.68131	0.4
86.09703	0.6
88.07626	1.3
91.05489	5.9
93.03385	0.5
93.07062	2.2
95.04989	2.3
95.08601	1.9
96.19154	0.4
97.02882	0.6
97.06551	1.9
98.97577	1.5
99.04468	0.6
99.05607	0.4
99.08107	0.7
100.11252	0.8
103.05506	0.6
105.07024	1.0
107.04961	8.5
107.08598	3.4
109.02923	0.4
109.06523	0.8
109.10154	0.9
110.03683	0.6
111.04450	1.4
111.08057	1.3
116.98622	1.9
117.07104	0.5
119.04950	2.0
119.08577	0.8
120.05679	0.6
121.02890	0.8
121.06514	7.0
121.10169	2.7
123.04424	1.3
123.11692	0.4
124.05181	0.4
125.06000	37.8
125.09607	0.6
126.06346	0.5
127.03936	1.9
129.06978	0.5
131.08603	0.5
133.06454	0.4
133.10124	0.9
134.99663	1.6
135.04419	2.0
135.08064	0.9
137.05931	0.6
137.09663	0.4
139.03926	0.5
139.07579	2.6
141.05478	0.5
141.06926	0.6
143.08620	0.8
143.83917	0.4
147.54878	0.4
148.07608	0.6
148.97403	1.5
149.02362	0.6
149.05992	3.1
149.09636	2.1
149.13376	0.4
151.03912	2.7
152.04695	5.6
153.02052	2.3
153.05476	100.0
154.05843	1.7
155.08493	0.5
157.06442	0.4
157.10155	0.8
161.01039	0.5
163.03928	3.9
167.07059	42.6
167.97214	0.4
168.07472	0.6
171.08171	0.5
177.00748	0.8
177.05493	1.6
177.09074	2.0
177.16426	1.1
181.05005	3.3
181.08609	0.4
185.07176	0.7
185.09686	0.5
185.13316	0.8
189.97647	0.6
190.06241	0.6
195.06544	35.9
195.10231	1.1
195.11656	0.8
195.13644	0.5
196.06860	0.4
199.06906	0.5
213.05600	0.7
213.07570	4.8
213.09213	1.5
213.11179	1.3
213.12845	1.6
213.16216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03943	2.1
53.07067	0.9
55.01864	2.2
55.05513	5.5
56.96557	4.1
57.03424	0.9
57.07056	1.4
59.06134	1.2
60.04520	0.9
61.02927	9.2
61.76347	0.8
63.05000	1.0
65.03936	6.8
67.05502	5.7
69.03447	1.1
69.07059	3.9
69.88586	2.6
69.89002	3.2
70.06590	2.9
71.04996	1.9
72.08164	1.4
75.04485	1.8
75.06821	0.9
79.05495	20.0
81.03423	2.1
81.04539	1.5
81.07069	4.6
81.07458	0.9
82.03759	1.7
83.04994	1.4
83.08631	2.4
84.04508	1.2
84.08127	1.0
85.02909	1.6
85.06577	1.1
88.07639	2.7
91.05493	5.9
92.87433	1.0
93.03410	5.6
93.07038	3.8
95.04970	6.4
95.08611	2.3
97.02903	2.0
97.04013	1.0
97.06538	2.7
97.10225	1.0
98.36867	1.1
98.97588	2.1
99.04486	1.4
99.05613	1.5
105.03379	1.5
105.07015	2.5
107.04960	29.9
107.06035	1.3
107.08588	3.9
108.02075	1.5
109.02903	2.6
109.06575	1.8
109.10114	1.0
110.03702	21.7
110.07185	1.5
111.04447	17.8
111.05550	1.7
116.98643	2.8
117.03390	2.2
119.04954	2.4
121.06494	8.4
121.10162	2.7
122.03655	4.1
123.04454	1.2
124.05237	1.2
125.02377	1.1
125.05997	72.3
129.06992	1.1
130.96359	1.4
131.08560	1.3
133.02838	10.1
134.03662	1.2
134.99672	2.9
135.04425	26.3
135.11668	1.5
137.02292	1.4
137.05963	6.8
139.02823	2.0
139.03880	1.2
139.07582	1.1
141.05505	5.0
143.08514	1.4
148.97389	5.6
149.05997	22.3
149.09602	1.8
149.13245	1.4
150.03131	10.4
151.03917	100.0
151.05022	8.7
152.04265	1.4
153.01897	1.3
153.05478	19.8
157.10193	1.5
162.03108	1.6
163.03932	9.3
165.05493	37.4
167.07062	21.1
167.08450	2.0
174.00833	1.2
177.05481	24.5
177.08998	1.1
180.09215	1.2
185.07277	1.4
185.13255	1.0
189.97665	2.4
195.02950	1.1
195.06532	21.3
195.08226	1.5
195.11720	3.0
196.09001	1.3
213.05556	1.5
213.07706	11.3
213.09520	2.0
213.12878	5.0
213.16302	1.6
213.18440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	Danielone
Peak:m/z	Relative Intensity
53.03941	0.7
55.01880	4.0
55.05507	1.0
56.96555	1.7
57.03431	0.8
57.07088	0.4
59.06115	0.6
65.03936	1.1
67.05496	1.8
69.03417	1.7
69.07053	1.2
70.06590	1.4
71.04962	0.6
71.59679	0.9
73.02905	0.5
79.05501	3.8
81.03373	0.4
81.07046	1.8
83.04984	1.2
83.08617	0.8
84.08135	0.4
85.02913	1.2
85.06530	0.6
85.68131	0.4
86.09703	0.6
88.07626	1.3
91.05489	5.9
93.03385	0.5
93.07062	2.2
95.04989	2.3
95.08601	1.9
96.19154	0.4
97.02882	0.6
97.06551	1.9
98.97577	1.5
99.04468	0.6
99.05607	0.4
99.08107	0.7
100.11252	0.8
103.05506	0.6
105.07024	1.0
107.04961	8.5
107.08598	3.4
109.02923	0.4
109.06523	0.8
109.10154	0.9
110.03683	0.6
111.04450	1.4
111.08057	1.3
116.98622	1.9
117.07104	0.5
119.04950	2.0
119.08577	0.8
120.05679	0.6
121.02890	0.8
121.06514	7.0
121.10169	2.7
123.04424	1.3
123.11692	0.4
124.05181	0.4
125.06000	37.8
125.09607	0.6
126.06346	0.5
127.03936	1.9
129.06978	0.5
131.08603	0.5
133.06454	0.4
133.10124	0.9
134.99663	1.6
135.04419	2.0
135.08064	0.9
137.05931	0.6
137.09663	0.4
139.03926	0.5
139.07579	2.6
141.05478	0.5
141.06926	0.6
143.08620	0.8
143.83917	0.4
147.54878	0.4
148.07608	0.6
148.97403	1.5
149.02362	0.6
149.05992	3.1
149.09636	2.1
149.13376	0.4
151.03912	2.7
152.04695	5.6
153.02052	2.3
153.05476	100.0
154.05843	1.7
155.08493	0.5
157.06442	0.4
157.10155	0.8
161.01039	0.5
163.03928	3.9
167.07059	42.6
167.97214	0.4
168.07472	0.6
171.08171	0.5
177.00748	0.8
177.05493	1.6
177.09074	2.0
177.16426	1.1
181.05005	3.3
181.08609	0.4
185.07176	0.7
185.09686	0.5
185.13316	0.8
189.97647	0.6
190.06241	0.6
195.06544	35.9
195.10231	1.1
195.11656	0.8
195.13644	0.5
196.06860	0.4
199.06906	0.5
213.05600	0.7
213.07570	4.8
213.09213	1.5
213.11179	1.3
213.12845	1.6
213.16216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03941	2.8
55.01866	2.6
55.05517	3.7
56.05049	1.4
56.96575	6.4
57.07077	2.7
60.30279	1.2
61.02930	9.7
65.03942	5.9
67.05525	6.0
68.99808	1.1
69.03430	1.9
69.07084	3.0
69.61160	9.6
70.06590	3.7
71.01382	1.3
71.05000	2.9
72.08169	1.5
73.02911	2.1
73.62437	1.1
79.05499	20.0
81.03407	3.0
81.07072	7.0
82.03740	2.5
83.04967	1.2
83.06107	2.4
83.08635	4.1
84.04502	1.5
85.02905	4.0
86.09712	2.2
88.07619	3.7
91.05488	8.8
93.03406	4.2
93.07044	4.1
95.04977	8.2
95.08599	2.6
97.02895	3.2
98.97601	2.1
99.05566	2.1
99.97860	1.3
105.03430	1.7
105.04507	1.9
105.07047	2.1
107.04967	31.2
107.08603	3.8
108.02106	2.4
109.02880	2.9
109.06532	2.1
109.07652	1.7
110.03707	19.2
111.04456	20.8
111.08081	1.4
116.98601	3.3
117.03388	1.2
118.75809	1.1
119.01846	2.5
119.04951	3.2
119.08611	2.3
121.04076	1.3
121.06542	13.5
121.10178	3.5
122.03640	6.3
123.04451	2.4
123.08203	1.3
124.05138	1.6
125.02391	1.6
125.06005	70.4
125.09599	1.8
126.05425	1.6
127.03931	1.6
128.02357	2.0
128.06294	1.3
129.07039	1.9
129.60468	1.3
131.08583	1.5
132.04474	2.0
133.02838	13.1
134.99669	3.3
135.04436	29.8
135.11818	1.3
137.02885	1.5
137.05966	7.4
139.03947	1.4
139.07535	2.0
141.05490	4.9
142.07838	1.4
143.08578	2.1
148.97374	5.4
149.06003	25.9
149.09581	1.2
150.03143	9.6
151.03922	100.0
151.05017	8.6
152.04352	1.5
153.05481	16.9
157.10143	3.0
161.01274	1.3
162.03130	1.4
163.03928	6.5
165.05501	38.0
165.06873	2.6
167.03487	1.9
167.07057	22.4
169.10179	1.2
170.11803	1.6
171.11685	1.9
177.00648	1.2
177.05479	18.1
177.09187	1.5
178.05101	1.4
195.04858	1.4
195.06479	18.4
195.10165	1.9
195.11711	2.2
196.05994	1.5
213.05560	2.7
213.07565	10.0
213.09311	3.0
213.12840	4.3
213.16557	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32403	1.3
52.88840	1.4
53.03946	1.3
55.01873	3.1
55.05511	2.4
56.96572	26.1
57.03446	12.4
57.57138	1.4
59.04999	3.2
60.95842	2.2
61.02932	9.8
65.03934	3.5
67.05503	3.3
69.03436	11.6
70.06599	100.0
70.40164	5.9
70.40507	1.3
71.04990	6.0
71.95267	1.7
72.08154	4.1
72.96056	1.7
73.02921	13.4
77.23509	1.8
79.05499	3.2
81.03430	9.0
82.03741	3.2
82.06580	1.5
84.04515	3.7
84.08139	13.1
84.96048	2.7
85.02916	18.8
85.06549	2.7
86.03703	2.8
86.09695	3.4
87.04482	2.9
93.07075	2.0
95.04981	4.7
97.02356	1.7
97.02908	9.8
97.96853	3.0
98.97598	13.9
99.04459	4.0
100.05254	3.1
100.99150	3.4
101.00804	1.9
103.02367	1.5
103.04000	1.6
105.02097	1.6
107.04984	4.7
109.02911	5.5
110.01311	2.2
110.03209	4.7
110.97570	3.2
111.04436	3.1
111.05595	5.4
112.08734	3.6
112.96739	1.7
113.05991	2.1
114.10334	1.7
115.97894	2.1
116.07108	13.0
116.98641	14.1
117.02075	2.9
119.00179	3.1
119.01900	11.3
120.97935	1.7
121.01564	2.1
125.05989	7.5
125.07088	2.8
126.02599	5.8
127.03929	4.5
128.02333	4.0
128.98581	7.8
131.01915	5.0
132.97931	2.1
134.99706	9.9
135.03114	9.6
135.04395	3.3
137.03096	1.8
137.05984	3.4
138.03375	1.7
141.05589	1.8
142.02008	1.9
143.00243	2.8
143.01897	3.8
143.12956	2.6
144.03624	25.0
144.98099	2.6
145.03433	3.7
145.05042	1.7
146.99629	8.1
149.01250	1.6
149.06013	2.1
150.05475	2.3
150.99075	1.9
151.03899	9.5
153.05479	5.3
155.01830	1.8
156.97517	2.4
158.99651	2.1
161.01317	2.3
161.02966	6.7
162.03386	2.4
162.99171	3.0
163.02695	1.5
163.03891	1.7
165.00766	5.6
165.05525	4.0
167.03381	1.8
167.06979	3.7
167.08218	2.1
168.03638	2.7
168.10216	2.1
173.01260	2.0
173.02957	4.7
174.03123	2.0
174.98619	4.6
175.95215	1.6
177.00728	3.9
177.04066	2.2
177.05441	2.5
181.04941	3.9
182.05281	1.8
183.02081	2.1
183.03807	1.7
185.02820	1.9
185.05966	1.7
189.00706	4.5
190.03134	4.3
190.05003	3.1
190.98625	4.2
191.02309	1.7
191.04005	2.4
192.04536	7.9
193.00113	1.9
195.06306	2.9
195.07991	3.3
195.11505	2.0
196.04800	16.7
198.98572	1.9
201.53981	1.7
204.04884	2.2
207.01732	2.0
208.99763	6.6
213.07538	11.3
213.12389	28.9
214.04074	2.2
214.05823	6.9
214.11011	1.6
214.13010	4.6
219.01796	1.7
227.00920	1.8
232.05020	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.01867	4.6
55.05509	1.9
56.05022	1.7
56.96568	23.0
57.03438	11.2
59.05000	1.3
61.01114	1.4
61.02919	7.7
67.05497	2.0
68.05033	1.9
69.03427	15.9
69.56991	1.2
70.06597	10.3
70.15745	6.2
70.98105	1.1
71.04993	6.9
71.94093	2.6
71.95242	2.0
73.02922	15.5
75.04462	2.7
78.70628	1.2
79.05482	2.3
80.05008	2.4
81.03416	91.5
83.00789	1.3
83.01364	1.4
83.04965	2.9
83.06097	2.1
84.08143	2.9
84.96027	3.1
85.02904	29.1
85.06490	1.4
87.04468	6.9
91.03967	2.4
91.05476	5.0
92.29556	1.3
95.04947	3.4
95.06107	1.3
96.04501	1.4
97.02893	17.5
98.03714	1.9
98.97581	23.8
99.04453	7.5
101.00824	1.1
106.06625	1.3
107.04978	1.5
108.04484	2.2
109.02879	100.0
110.01279	4.5
110.07155	2.3
110.97584	5.5
111.04424	3.3
111.05602	1.4
112.07594	2.9
112.08694	1.6
112.96722	1.8
113.01767	2.1
113.06009	10.5
114.83279	1.1
115.03965	1.4
116.07105	3.1
116.98611	18.2
119.01876	12.1
121.06467	2.5
122.06039	2.1
123.04459	1.9
124.07645	1.4
125.05982	4.5
127.03951	12.8
128.02293	3.6
128.98624	11.8
130.97820	2.0
131.01910	3.5
133.04980	1.2
134.06012	4.2
134.99670	10.4
135.03011	1.4
136.07576	6.5
137.02316	3.9
137.05959	6.4
138.02626	1.9
140.02281	2.3
141.05437	9.7
143.00150	1.5
143.01825	2.9
145.03571	1.3
145.04948	3.0
146.02237	3.3
146.99669	11.1
147.03368	1.4
147.04333	6.0
149.02806	3.0
149.05937	6.4
149.97285	1.9
150.05510	2.7
151.03761	1.3
151.07494	1.5
152.02299	3.1
152.03395	2.1
152.07065	4.3
153.00616	1.9
153.05490	7.0
155.02834	4.8
158.06668	2.1
158.99649	3.9
159.06509	22.3
161.01212	2.8
161.02922	10.0
161.15974	1.3
162.03044	1.5
165.00671	3.5
166.04959	3.1
166.08606	13.0
166.09749	1.7
167.06989	1.4
170.03384	1.6
170.99634	4.3
172.95110	1.6
173.01250	2.3
173.02870	4.9
176.07669	1.8
177.00691	6.4
177.07623	13.1
179.07101	2.0
182.03270	2.9
187.92802	2.5
188.07686	3.0
188.97046	1.6
189.00720	15.6
191.03876	3.9
194.08128	14.3
195.06544	3.8
195.08647	23.3
200.04378	2.7
200.06064	3.0
201.00681	3.1
206.98141	2.5
207.01770	3.6
212.05630	2.2
212.07486	2.8
212.09222	12.8
213.12262	1.8
219.01804	4.1
230.08728	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.23449	1.0
55.01880	1.0
55.05515	13.0
56.96564	2.1
57.03420	1.1
57.07064	3.1
59.04987	2.9
67.05173	1.6
67.05508	24.9
69.03432	16.3
69.06731	1.0
69.07072	16.4
70.89367	2.8
71.04983	4.8
71.08627	1.4
73.54649	1.0
79.05483	4.6
81.03416	3.4
81.06578	1.8
81.07061	30.4
82.07376	1.0
83.04985	14.3
83.08632	8.8
85.06541	4.0
91.05465	4.4
93.07061	11.3
95.04966	4.0
95.08611	39.5
97.06536	2.6
97.10159	2.3
98.20803	1.1
99.08083	4.5
105.07030	6.9
106.62936	1.2
107.08597	24.6
109.06532	12.4
109.10159	100.0
110.10507	1.3
111.08068	4.5
113.09628	2.0
119.08590	23.2
121.06536	1.2
121.10144	12.5
123.04453	2.4
123.08067	15.1
123.11706	9.3
125.09629	14.4
127.11203	1.1
132.83435	1.2
133.10143	20.7
135.11694	68.2
137.09633	16.0
139.11174	3.8
147.11749	1.7
148.17778	1.0
149.13272	6.6
151.07518	1.3
151.11205	10.6
151.14871	10.3
153.12759	3.5
165.16423	2.2
167.07024	3.2
175.14848	27.6
179.06981	1.2
193.12224	1.5
193.15892	19.8
211.15173	1.4
211.16922	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27100	1.5
53.03953	2.8
55.01867	2.0
55.05514	18.4
56.96556	3.2
57.03421	6.1
57.07060	6.0
59.05010	2.8
65.03943	2.3
67.05512	26.7
69.03424	9.7
69.07069	33.8
70.06586	1.9
70.84940	2.9
70.85294	3.5
71.04996	7.1
71.08626	1.8
73.02911	1.9
79.05491	11.8
81.03432	9.3
81.07064	35.6
83.04992	11.1
83.08630	13.9
85.02914	1.6
85.06544	7.3
90.94668	1.6
91.05484	13.7
93.07051	23.5
95.04975	27.9
95.08609	63.8
96.63772	1.6
97.06541	6.9
97.10176	3.8
99.04467	1.9
99.08092	12.0
105.07041	26.6
107.04952	4.9
107.08599	39.0
109.02885	1.8
109.06527	11.9
109.10162	95.3
111.08059	10.3
115.07564	2.3
119.08585	54.1
121.06536	6.1
121.10151	95.1
123.04430	11.8
123.08082	14.1
123.11709	40.6
125.09613	10.2
127.07573	2.2
129.07031	2.2
133.06529	3.0
133.09100	2.9
133.10132	60.8
135.11691	48.1
137.05988	19.7
137.09616	24.7
137.13248	8.6
139.11182	5.2
141.05524	3.5
145.10217	2.9
147.11729	9.7
148.07565	2.9
149.05980	2.6
149.13260	33.7
151.03911	5.4
151.07547	3.5
151.11238	6.6
151.14864	10.2
152.04706	12.1
153.05466	2.0
153.12737	2.6
155.10667	5.4
156.47285	1.9
157.10165	1.8
165.05493	24.4
165.09166	1.6
165.16411	11.6
166.06306	10.9
167.07059	10.1
167.14323	4.8
169.04970	6.4
175.14830	100.0
181.08568	2.0
193.03416	1.8
193.04921	8.4
193.08624	3.8
193.12271	6.7
193.15889	74.3
194.05775	11.7
211.05998	5.2
211.13304	1.8
211.15115	1.7
211.16933	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01868	2.5
55.05512	24.9
55.20676	2.1
57.03429	7.5
57.07063	5.3
57.23706	1.9
59.05007	4.1
67.05170	2.8
67.05508	37.0
69.03423	13.2
69.06711	3.8
69.07068	33.0
70.15550	10.3
71.04977	10.3
71.08631	2.4
72.74644	1.7
79.05503	16.3
81.03420	25.6
81.06580	3.4
81.07059	61.2
83.04978	21.5
83.08617	21.8
85.06533	6.7
91.05479	15.9
93.07047	45.2
95.04998	15.8
95.08608	77.5
97.02877	1.9
97.06538	7.4
97.10172	5.9
99.08057	3.4
103.05453	2.2
105.07027	26.4
107.08602	55.7
109.06516	10.1
109.10156	100.0
111.04396	2.1
111.08073	13.8
112.11308	1.8
119.08586	48.1
121.10144	84.1
123.04445	3.1
123.08085	15.6
123.11706	38.8
125.09613	8.9
129.07007	2.8
131.08563	4.4
133.10126	54.2
133.11092	4.1
135.11699	70.5
137.06010	3.7
137.09631	14.5
137.13237	7.3
139.03792	2.6
139.11194	5.1
147.11717	9.5
149.13263	39.9
151.07544	3.3
151.11211	22.3
151.14841	10.3
153.12750	3.6
157.10100	5.4
163.14819	33.5
165.16368	10.3
167.07062	12.8
167.14337	22.3
175.11214	4.7
175.14827	89.3
179.06996	6.9
181.15846	3.2
184.13358	5.3
193.12332	11.5
193.15891	59.0
211.09680	5.8
211.13351	3.7
211.16945	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.05513	21.1
56.96563	3.3
57.03431	4.5
57.07066	4.2
59.05001	11.6
64.11873	1.3
67.05508	21.9
69.03427	3.5
69.07074	26.1
69.66111	6.8
69.66518	4.0
70.06578	1.6
71.05000	50.1
79.05495	12.7
81.03405	4.4
81.07059	41.6
83.04973	4.7
83.08630	19.5
85.06535	8.7
91.05495	14.2
93.06470	2.4
93.07050	43.2
93.76456	1.4
95.04955	7.4
95.08613	87.9
97.06538	21.9
97.10165	6.8
98.20621	1.9
98.97541	1.5
99.04461	21.7
99.08092	13.0
100.49633	1.5
101.06000	2.3
104.67757	1.5
105.07043	15.3
107.08607	38.6
109.06506	5.6
109.09455	3.0
109.10160	41.5
111.08084	6.0
112.08842	1.6
113.09641	2.9
115.07572	26.1
117.07018	1.8
119.04949	4.5
119.08588	34.3
121.10152	21.4
123.04463	1.7
123.08082	7.6
123.11715	58.9
125.09614	8.5
127.07518	4.7
133.10133	50.9
134.97850	1.4
135.11699	97.6
137.09619	16.5
137.13264	3.4
139.11203	2.8
141.09129	5.5
141.12753	7.7
147.11697	8.1
149.13271	11.7
151.11194	3.6
151.14799	3.1
153.12770	15.9
155.10640	7.3
161.08507	1.4
161.34123	1.6
163.14844	8.8
167.07051	25.0
175.13306	3.6
175.14847	74.3
181.08621	2.7
186.55972	1.5
193.04924	1.6
193.12254	3.9
193.15891	35.3
211.16945	100.0
212.81018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01873	3.0
55.05259	2.3
55.05511	30.5
57.03428	8.4
57.07067	6.4
59.04981	3.4
67.05505	34.0
69.03429	11.7
69.07072	33.3
71.05001	10.3
71.08617	2.5
71.31123	3.7
75.81064	1.7
79.05492	18.6
81.03421	28.6
81.06578	2.9
81.07059	58.4
83.04977	16.9
83.08620	22.4
85.06523	6.1
91.05048	1.7
91.05485	18.8
93.07050	42.4
95.04968	13.7
95.08608	77.5
97.06528	3.9
97.10166	5.8
99.08060	5.7
99.50080	1.7
100.13979	1.7
105.07032	26.2
107.04948	2.9
107.08600	56.3
109.06503	9.3
109.10158	99.3
110.10518	1.7
111.08096	12.9
112.11296	1.7
119.08588	47.7
121.10146	76.2
123.04424	4.5
123.08087	9.2
123.11711	36.7
125.09609	8.0
129.07007	3.4
131.08540	5.3
133.06458	1.6
133.10135	60.8
135.11694	73.0
137.09605	16.2
137.13251	6.8
139.03914	3.3
139.11185	5.6
145.10106	2.6
147.11696	14.9
149.09624	3.3
149.13260	43.2
151.07547	4.7
151.11191	21.2
151.14824	11.3
153.12799	3.2
157.10109	6.6
158.68570	1.8
163.14816	36.4
165.09132	2.2
165.12817	2.1
165.16377	13.0
167.07040	19.5
167.14336	20.5
175.11201	5.2
175.14835	100.0
179.07037	7.0
181.15877	2.0
184.13315	4.9
193.12227	18.3
193.15880	66.3
211.06073	1.8
211.09612	2.0
211.13312	6.5
211.16925	45.7
228.36826	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03943	6.0
55.01864	6.0
55.05515	36.5
56.96565	6.2
57.03424	10.0
57.07072	9.8
58.06591	3.0
59.04992	5.7
67.05513	44.8
69.03437	20.6
69.07075	20.2
70.99873	8.4
71.04984	17.1
78.04690	3.2
79.05510	17.9
79.45179	2.9
80.12711	3.2
80.29407	2.5
81.03424	26.2
81.07066	45.7
83.04993	23.8
83.08614	11.1
85.06544	54.4
91.05486	24.1
93.07052	41.6
95.04983	28.2
95.08618	56.4
97.02879	4.4
97.06533	7.9
97.10232	3.3
99.04427	3.7
99.07478	5.0
99.08100	71.7
101.06007	5.9
103.05464	5.6
104.71452	3.1
105.07029	27.7
107.04964	4.6
107.08597	42.0
109.02908	3.5
109.06536	11.8
109.10167	100.0
111.04466	4.0
111.08090	23.8
113.06003	3.6
119.08578	45.8
121.06513	10.4
121.10172	21.8
123.04488	13.7
123.08059	8.7
123.11706	16.8
125.09616	18.6
131.08569	5.5
133.06503	5.5
133.10139	97.5
134.46667	3.0
135.11703	47.9
137.05978	10.5
137.09627	40.2
140.10730	5.8
143.01949	4.4
147.11697	17.4
149.05995	17.6
149.09605	3.2
149.13280	17.4
151.03929	5.3
151.07503	4.3
151.11290	13.7
151.14853	6.8
155.10664	10.0
157.10126	5.7
161.03061	6.1
165.05565	3.1
167.07062	77.2
168.10149	5.4
175.11209	8.2
175.14862	34.5
179.07042	8.1
181.08624	15.7
193.04973	4.4
193.08569	4.3
193.12257	20.4
193.15903	85.4
211.05846	4.0
211.07709	4.5
211.09669	7.9
211.11609	3.4
211.13300	11.2
211.17125	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.9
55.01912	2.4
55.03023	1.0
55.05513	9.3
56.05060	1.4
56.96561	4.3
57.03474	2.9
57.07102	2.1
59.05015	1.2
60.05666	0.9
65.03951	0.8
67.05164	0.8
67.05504	12.0
68.05076	0.6
69.03436	15.3
69.07068	6.3
69.35038	5.9
70.06597	15.8
71.04999	4.9
71.08657	0.7
72.05643	0.8
72.07755	1.3
72.08160	24.1
78.04747	1.3
79.05502	8.6
79.05888	0.7
80.02039	0.7
81.03423	7.1
81.05783	0.7
81.07059	12.8
83.01338	1.2
83.04973	5.5
83.06169	0.7
83.08633	4.7
84.08177	2.7
85.02941	2.2
85.06538	6.4
87.04501	1.0
91.05482	10.6
93.07043	10.5
94.06594	1.5
95.04979	8.2
95.07351	1.0
95.08612	14.9
96.08172	0.6
97.02902	1.5
97.06571	2.8
97.07661	9.3
97.10184	1.1
97.99232	0.7
98.09698	6.8
99.04482	2.0
99.08096	6.4
99.09290	0.7
103.05497	1.9
105.03432	2.2
105.07032	9.2
106.04174	1.4
107.04990	2.6
107.08600	11.4
108.08122	7.7
108.08795	1.0
109.02907	1.4
109.06513	5.4
109.07700	0.8
109.10160	19.7
109.28790	0.6
110.09692	13.7
111.04456	1.5
111.08067	3.8
111.11798	0.6
112.08741	1.7
113.06023	1.5
113.09666	1.4
114.10298	42.2
116.00245	0.8
116.98655	0.9
117.06983	0.8
119.04953	4.1
119.08590	12.7
120.08974	0.6
121.06501	5.3
121.10159	9.6
122.07026	0.6
122.09663	1.2
123.04440	15.5
123.08082	7.0
123.10444	5.3
123.11702	6.1
124.05258	1.6
124.11237	1.2
125.05988	1.0
125.09639	29.4
127.07600	0.9
127.11198	1.0
131.08551	1.5
133.06516	3.1
133.10141	16.9
134.03619	0.8
135.04407	0.8
135.08046	1.5
135.11691	12.1
137.02403	0.9
137.05988	6.2
137.09625	6.8
137.13272	0.8
139.11192	0.9
140.11826	2.0
142.07843	0.6
147.04439	2.3
147.08054	1.0
147.11684	4.1
149.05997	6.2
149.13277	3.5
151.03929	3.2
151.07553	11.8
151.08675	1.2
151.11226	3.2
151.14854	2.4
152.04723	0.6
152.14348	100.0
153.05484	1.0
153.09093	0.8
153.12749	1.3
153.14592	0.8
155.10759	0.7
157.10056	1.9
161.05989	1.1
163.14795	1.4
165.05490	5.5
165.06779	1.1
165.09100	1.7
165.12776	1.4
165.16455	1.4
166.06212	1.1
167.07051	44.4
168.07332	1.2
169.04951	1.7
169.12244	0.6
169.16963	1.2
175.07475	0.6
175.11223	3.0
175.14838	14.8
179.07045	29.7
180.07463	1.0
181.08623	5.1
193.04956	2.8
193.08614	4.7
193.10184	0.8
193.12245	4.6
193.15927	13.8
194.05856	0.7
194.16559	4.4
211.05966	1.1
211.09750	7.4
211.13072	1.3
211.16920	5.9
211.19125	30.9
212.11742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03932	4.7
55.05507	22.2
56.96563	2.5
57.03434	6.6
57.07071	5.5
59.04992	2.1
61.21798	2.3
65.03941	2.4
67.05512	29.1
69.03427	11.2
69.07066	41.4
71.04991	12.2
71.05668	5.7
79.05498	13.4
81.03416	9.5
81.07059	40.1
83.04983	9.4
83.06102	2.5
83.08611	17.8
85.06531	10.4
91.05492	17.2
93.07041	28.2
95.04976	29.5
95.08612	67.3
97.06522	8.2
97.10128	5.6
99.08109	15.7
105.03345	2.8
105.07020	22.3
107.04974	5.0
107.08595	48.3
109.02872	4.7
109.06529	14.3
109.10157	91.7
111.08080	10.9
119.04903	4.6
119.08583	53.5
121.06545	5.0
121.10145	96.3
123.04446	14.7
123.08069	18.2
123.11706	61.6
125.09618	11.5
127.07522	3.2
131.08539	3.0
133.06494	2.5
133.10133	66.9
135.10699	3.7
135.11694	59.6
137.05998	25.7
137.09619	24.5
137.13225	11.5
139.11121	5.1
141.05450	5.2
147.11687	9.5
147.46059	2.6
149.05971	7.0
149.13269	33.4
151.03935	6.0
151.07536	3.2
151.11163	6.3
151.14828	11.1
152.04675	14.6
155.10667	3.8
155.64462	2.5
165.05482	32.5
165.16391	15.0
166.06248	13.9
167.07066	16.5
167.14253	4.4
168.07433	2.5
169.04944	11.2
175.14824	100.0
176.15195	2.4
178.02626	2.9
193.05023	13.2
193.08630	5.4
193.12209	5.1
193.15900	67.6
194.05750	15.1
211.05884	4.5
211.09476	4.1
211.13216	3.5
211.16927	43.6
233.40428	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.02369	0.9
53.03934	1.4
55.05509	9.3
56.96562	1.5
57.03434	3.7
57.07067	2.4
59.04990	1.1
67.05511	8.4
69.03423	2.5
69.07066	7.2
70.06611	1.1
70.93403	1.6
70.93755	1.0
71.04987	6.0
79.05494	8.4
81.03423	9.4
81.07056	22.3
83.04975	5.7
83.08632	6.4
85.06538	2.9
87.04442	1.9
91.05480	10.8
93.07045	13.7
95.04969	7.4
95.08605	31.3
97.02924	1.0
97.06541	3.5
97.10168	1.3
99.04428	2.0
99.08095	8.5
103.05482	1.7
105.06374	1.5
105.07033	17.2
107.04973	1.3
107.08599	21.7
109.06505	3.0
109.10165	12.2
111.08094	2.8
112.11251	3.1
113.09625	5.7
115.05444	0.9
116.82922	0.8
117.07056	1.3
119.04928	0.8
119.08584	63.0
121.06475	1.3
121.10149	6.7
123.04432	2.5
123.08063	3.0
123.11708	7.6
125.09635	1.6
127.07546	1.1
129.07001	1.5
131.08577	2.2
133.10133	100.0
134.10439	1.1
135.11696	35.9
137.05986	1.1
137.09644	4.9
141.09189	1.1
147.11696	6.2
149.05971	2.2
149.09686	1.2
149.13264	3.3
151.03949	2.0
151.07475	1.2
151.11230	1.3
151.14850	1.3
152.03439	2.1
157.10126	1.5
160.12479	0.8
163.14714	0.9
165.09171	1.0
165.12648	1.0
167.07025	11.5
167.09651	0.8
167.14360	1.3
175.11261	3.1
175.14832	86.9
176.15196	0.8
179.07053	1.8
181.08678	3.7
184.13245	4.6
193.08621	3.6
193.12225	7.7
193.15887	14.5
210.72957	0.8
211.07788	0.8
211.09706	2.7
211.13333	3.7
211.16939	9.9
227.32259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	3.3
55.01868	5.4
55.05513	31.1
56.96569	13.1
57.03439	12.6
57.07069	3.8
59.05008	5.1
65.03933	1.8
67.05506	28.6
69.03432	100.0
69.07070	15.2
70.06606	1.0
70.14417	2.3
70.14809	1.6
71.04994	15.6
71.08620	1.0
73.02916	0.8
77.03903	0.8
78.04733	1.1
79.05064	1.2
79.05498	23.0
81.03421	64.2
81.07059	49.1
83.04983	35.1
83.08135	1.7
83.08621	30.7
83.09115	1.9
84.96045	1.7
85.02896	2.8
85.06552	4.8
87.04462	1.8
91.05481	27.4
92.05768	0.9
93.07052	25.9
94.56621	0.7
95.04971	27.0
95.08607	27.0
97.02904	4.2
97.06547	10.4
97.10184	6.4
97.99162	1.1
98.21532	0.8
98.97617	1.1
99.04452	2.6
99.08095	4.8
103.05445	0.8
105.07041	24.5
106.04166	1.0
107.04974	4.5
107.08596	19.4
109.02863	1.2
109.06534	8.2
109.09453	1.5
109.10160	18.3
111.04433	2.1
111.08083	14.3
113.06046	1.6
115.05435	1.2
115.07557	2.8
115.92916	0.8
116.00233	3.9
118.88174	0.9
119.01865	0.8
119.04948	1.1
119.08584	25.2
121.06519	4.6
121.10149	13.4
123.04433	5.1
123.08080	8.6
123.11710	41.8
124.05180	1.5
125.09633	7.0
125.13274	1.7
127.07561	1.9
129.07005	8.6
131.08580	8.0
133.06482	3.4
133.10139	23.7
135.08112	1.4
135.11703	23.6
137.05972	2.6
137.09621	8.0
137.13278	2.0
139.11172	1.4
141.09058	1.2
141.12733	2.2
142.07782	1.9
143.99663	1.0
145.10101	1.4
147.08070	3.2
147.11700	13.6
149.05986	2.8
149.09619	7.4
149.13281	4.6
151.03886	1.4
151.07512	2.6
151.11194	24.6
151.14813	1.1
152.04681	1.4
153.12779	5.1
155.08522	2.2
155.10764	1.0
157.10120	12.6
161.05946	1.0
161.09602	1.4
165.09123	1.3
165.12793	4.2
165.16385	0.8
167.07050	38.4
167.10674	3.3
167.14357	0.9
168.07449	1.3
169.10217	1.0
170.05692	1.3
175.11191	14.1
175.14825	22.2
179.03500	1.0
179.07065	2.1
179.10638	1.1
181.08621	3.4
183.08018	1.0
189.00713	1.0
193.04956	1.2
193.08577	1.6
193.12259	37.7
193.15894	26.7
211.07634	1.8
211.09706	1.6
211.11421	1.5
211.13283	18.9
211.16893	22.4
212.16544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.91365	1.5
53.03938	5.8
55.01857	4.3
55.05509	41.1
55.93266	1.4
56.96557	4.1
57.03439	8.4
57.07065	1.4
59.05010	2.3
67.05506	28.1
69.03433	8.9
69.07064	14.3
71.04945	10.7
75.02374	1.5
79.05056	2.5
79.05489	33.3
81.03416	100.0
81.07056	39.9
83.04981	49.1
83.08137	2.5
83.08618	38.2
85.02916	1.5
85.06523	2.9
91.05478	33.0
93.07043	18.9
95.04967	37.8
95.08604	15.8
97.02892	4.9
97.06523	7.1
97.10172	8.9
99.08086	2.5
105.07030	25.1
107.04937	7.5
107.08588	11.4
109.06522	6.8
109.10159	6.1
111.04447	2.8
111.08087	17.2
115.05477	1.6
119.08585	19.8
121.06493	1.8
121.10123	10.2
123.08027	4.2
123.11713	5.9
125.09605	2.1
129.07004	13.3
131.08559	12.9
133.06483	3.7
133.10123	14.9
135.11722	4.3
137.09604	3.6
142.07767	4.2
147.08061	3.8
147.11690	16.5
149.09599	5.6
151.03979	1.9
157.10127	20.7
163.40285	1.4
165.12740	3.5
167.07053	5.4
175.11201	20.3
175.14804	4.4
176.11450	1.2
181.08572	1.6
183.54977	1.7
193.12233	55.6
193.15868	2.5
211.13229	25.3
211.16705	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	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.25401	1.6
50.98405	1.7
53.03946	3.3
54.53564	1.7
55.01871	2.1
55.05514	27.0
56.96561	5.1
57.03433	6.5
57.07076	5.2
59.04996	2.3
65.03954	1.8
67.05503	29.3
69.03436	7.4
69.07071	34.5
70.06601	9.9
70.99781	2.1
71.00117	4.0
71.04993	8.2
71.08628	2.4
72.08156	12.0
73.06600	2.1
79.05482	13.3
81.03419	9.4
81.07059	39.4
83.04987	10.8
83.08623	14.4
84.08144	2.5
85.06544	6.3
91.05485	14.4
93.07040	21.4
95.04971	13.8
95.08611	67.8
97.02917	2.0
97.06526	6.4
97.07665	6.6
97.10165	6.8
98.09694	4.3
99.04475	1.9
99.08090	5.0
105.07025	25.4
107.05025	1.7
107.08597	42.8
108.05762	2.0
108.08134	4.9
109.02840	2.6
109.06522	11.8
109.10155	100.0
110.09698	8.1
111.04424	1.8
111.08086	9.8
113.05981	1.8
114.10289	23.4
119.04940	3.2
119.08588	46.2
121.06524	3.4
121.10146	92.1
123.04433	7.1
123.08052	14.6
123.10446	2.3
123.10728	1.9
123.11700	23.4
125.06030	5.2
125.09634	11.3
129.07039	3.0
131.08600	2.1
133.06412	3.8
133.10135	57.5
135.04594	1.9
135.08058	2.1
135.10674	4.0
135.11697	59.6
137.05983	5.2
137.09622	23.1
137.13263	7.9
139.11185	5.4
147.11713	7.0
149.06018	3.6
149.09763	1.9
149.13268	32.2
149.22670	1.6
150.06783	2.3
151.03900	4.3
151.07578	3.8
151.11180	8.6
151.14827	15.0
152.14349	56.7
153.05479	5.0
155.10651	4.0
159.06386	1.8
161.37186	1.7
163.14728	2.1
165.09157	4.0
165.16396	12.8
166.12274	7.0
167.07037	15.3
167.14380	6.8
170.05804	2.8
175.11328	4.5
175.14828	83.8
178.05046	2.5
179.05360	16.8
179.07077	13.2
181.08540	2.3
193.04951	2.6
193.08641	11.0
193.12236	7.2
193.15883	77.5
194.16467	2.5
195.03009	2.8
211.05980	4.5
211.07861	6.8
211.09718	6.4
211.13228	4.1
211.16975	39.5
211.19200	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03946	6.5
55.01858	11.7
55.05503	42.2
56.96329	7.4
56.96566	86.8
57.03422	14.3
57.07061	7.9
61.34183	5.5
61.87448	5.5
67.05498	30.4
69.03416	11.9
69.07051	20.5
69.40932	54.0
71.04978	12.6
73.89714	4.8
79.05484	34.0
81.03419	100.0
81.07056	57.3
83.04988	44.3
83.08613	32.0
84.96034	23.1
85.06546	11.7
91.05483	48.2
93.07049	32.9
95.04974	50.9
95.08604	41.3
97.06541	12.2
97.10177	8.4
97.99178	24.3
98.20757	9.4
99.08127	7.4
102.97041	5.2
105.07004	29.9
107.04971	12.6
107.08580	14.9
109.06541	12.6
109.10168	28.4
111.08073	16.9
116.00199	26.0
118.95961	5.4
119.08557	22.7
121.10145	9.2
123.08036	8.3
123.11720	9.7
127.07459	6.6
129.06990	18.8
131.08572	16.3
133.10095	21.4
134.01242	12.5
135.11684	16.7
137.06018	9.2
137.09535	9.7
139.01833	10.3
141.06966	10.4
147.11667	22.5
149.09595	9.7
151.11128	11.1
157.10106	21.1
165.12769	5.7
167.07033	8.7
169.10106	16.0
175.11180	21.9
193.12244	66.3
193.15924	7.7
211.09430	6.9
211.11269	9.5
211.13263	38.4
211.14850	25.8
211.16814	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	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03930	3.5
55.01870	6.0
55.05511	38.7
56.96548	2.7
57.03444	9.7
57.07060	1.5
59.04989	1.9
60.42539	0.9
61.81097	0.8
65.03935	1.3
67.05505	27.3
69.03430	11.7
69.07068	11.0
69.86104	3.4
71.04986	5.6
73.02882	1.4
79.05492	29.7
80.67189	0.8
81.03419	100.0
81.07056	34.1
82.03738	1.5
83.04982	50.5
83.08621	40.1
85.02888	1.4
85.06527	3.5
87.04462	1.5
91.05484	33.1
91.09566	0.9
93.07044	16.9
95.04968	35.6
95.08608	13.5
97.02875	3.7
97.06537	5.1
97.10175	8.2
97.99189	1.3
98.20804	1.1
99.04464	1.0
99.08088	2.0
101.06010	1.3
105.06388	1.6
105.07034	23.2
107.04970	6.1
107.08599	11.4
109.06503	7.0
109.10149	6.1
111.04423	2.5
111.08083	16.1
115.05430	2.1
116.00179	1.2
117.07046	1.4
119.08575	21.3
121.06503	2.6
121.10138	9.0
123.04436	1.8
123.08065	4.9
123.11691	1.9
125.09647	4.2
126.94200	0.9
128.06154	1.0
129.07004	10.7
131.08568	14.4
133.06505	4.7
133.10141	13.8
135.11665	3.3
137.09595	2.6
142.07759	2.7
145.10135	1.5
147.08058	4.2
147.11681	16.5
149.09610	9.3
151.07521	1.9
151.11160	1.2
157.10141	18.7
163.11055	1.0
165.05472	0.9
165.12766	4.6
167.07021	4.9
167.10730	1.1
175.09752	1.5
175.11197	20.1
175.14748	1.6
179.07056	2.1
193.12241	58.1
193.15854	2.7
211.13284	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03950	3.2
53.78016	1.0
55.01876	6.6
55.05259	2.2
55.05518	38.5
56.96568	6.8
57.03442	6.9
57.07074	1.8
65.03942	1.4
67.05511	27.5
69.03436	9.3
69.07081	9.8
70.22327	1.0
70.61826	3.8
71.04995	6.0
73.70818	1.0
79.05502	28.1
79.05958	1.6
81.03426	100.0
81.07065	33.5
83.04988	49.8
83.08624	33.4
85.06552	3.7
91.05489	35.1
93.07054	19.0
95.04976	37.3
95.08620	13.5
97.02908	3.8
97.06554	4.0
97.10195	7.7
97.99232	1.3
99.04469	1.5
99.08111	2.6
103.07555	1.0
105.07040	26.0
107.04967	7.8
107.08590	9.8
109.06557	7.3
109.10174	4.9
111.04442	3.1
111.08090	16.5
111.08771	1.6
113.05958	1.8
116.00274	1.2
117.07000	1.5
119.08591	21.8
121.06531	2.4
121.10158	8.7
123.08082	3.7
125.09721	1.4
127.07660	1.2
129.07037	11.9
131.08585	13.3
133.06523	3.6
133.10153	13.7
135.11740	1.5
137.09634	3.6
142.07774	2.7
145.10098	1.5
147.08072	3.2
147.11708	16.6
149.09651	8.3
157.10147	20.1
165.12814	4.2
175.11209	20.0
193.12260	53.9
211.07590	1.7
211.13261	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	211.0967
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
50.99676	0.5
53.03932	0.9
55.01870	1.0
55.05517	5.6
55.92441	0.6
56.96566	5.5
57.03436	3.8
57.07076	7.5
59.04992	1.7
65.03951	1.1
67.01875	1.2
67.05506	8.6
68.99796	2.0
69.03429	2.3
69.07071	4.5
69.79380	3.1
71.04998	3.9
79.05494	4.5
81.03419	8.0
81.07059	10.4
83.04984	6.8
83.08622	4.4
84.96024	1.3
85.02899	1.5
85.06551	4.4
91.05477	5.4
93.07050	6.7
95.04971	7.2
95.08616	8.0
97.06544	1.8
97.10170	1.2
97.99173	1.3
98.21409	0.8
98.97579	0.5
99.04473	1.2
99.08108	2.9
103.05494	0.6
105.07032	5.5
107.04945	1.1
107.08596	6.0
109.02888	1.1
109.06513	3.8
109.10163	8.2
111.04459	1.2
111.08100	2.4
113.05978	0.7
115.07550	0.8
116.00233	1.3
116.98582	0.6
119.04906	0.6
119.08578	6.6
121.06509	1.0
121.10149	3.2
123.04433	23.3
123.08053	3.5
123.11713	3.8
125.09657	2.1
127.03923	7.6
127.07571	1.8
127.11236	0.8
129.06995	1.1
131.08556	1.3
133.06528	1.5
133.10132	6.0
135.11668	4.6
137.05971	3.3
137.09622	5.5
139.03905	20.8
139.11192	2.1
147.08072	1.1
147.11707	3.2
149.05954	1.7
149.09602	1.3
149.13306	1.1
151.03911	37.3
151.07533	1.6
151.11183	1.5
151.14799	0.8
153.01791	3.5
153.05458	3.5
153.12767	0.9
155.03397	100.0
156.03745	0.9
157.10097	1.3
165.05496	2.6
165.09079	3.2
165.12788	0.8
167.07047	10.9
167.10666	1.6
169.04967	6.6
175.07562	1.6
175.11217	2.0
175.14854	4.5
178.06302	0.6
179.07028	2.4
181.08592	1.4
190.91380	0.6
193.08612	16.5
193.12250	4.9
193.15912	6.6
195.15578	0.6
211.09660	95.7
211.13138	3.1
211.16905	5.5
212.10048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0601
Annotation	Alcanivorone
Peak:m/z	Relative Intensity
53.03960	1.7
55.01871	1.1
55.05518	1.3
56.05031	1.0
57.07073	0.8
58.06618	0.9
60.04535	1.2
65.03928	1.8
66.46510	0.6
67.05513	2.9
68.05016	0.8
69.03432	1.6
69.04557	1.7
69.07066	1.2
70.06596	1.2
70.86005	2.0
71.01354	0.8
71.31797	0.6
72.04501	0.8
73.07685	2.1
75.04484	54.1
77.82146	0.6
78.04716	1.1
79.05079	0.9
79.05492	4.0
80.05038	1.4
81.03423	3.6
81.07069	3.4
81.39246	0.6
82.06578	0.8
83.04990	1.9
83.06110	1.1
83.08646	0.9
84.04529	1.6
91.05494	5.1
92.04989	0.7
93.07050	3.9
94.06577	2.6
95.04970	13.4
95.06035	0.8
95.08615	1.6
96.04496	0.8
96.08165	0.6
97.02873	0.9
97.06553	1.2
97.07666	1.5
102.05592	0.8
103.05457	4.3
104.04996	1.8
105.03428	1.1
105.07021	2.5
106.06551	4.6
107.04942	6.6
107.07343	1.3
107.08595	0.7
108.08134	1.4
109.02882	2.4
109.06508	1.0
109.07640	1.8
109.10159	2.5
110.03671	1.2
110.06071	1.8
111.04456	3.4
111.08083	1.0
119.04963	1.3
119.06100	1.2
119.08587	1.4
120.04482	2.1
120.08118	6.3
121.02894	3.6
121.06494	7.1
121.10220	0.6
122.06035	4.1
122.08452	0.8
123.04433	18.8
123.09205	1.5
124.05209	2.8
124.07629	1.1
126.05552	1.0
127.03902	3.6
130.06526	5.1
131.04944	2.8
132.04471	8.6
133.05251	1.4
133.06544	0.8
133.07637	2.8
133.10097	0.8
134.06027	4.3
135.04396	0.9
135.06798	1.3
135.11661	1.2
136.07559	1.1
137.02345	100.0
137.03391	5.7
137.05983	2.8
137.07042	1.1
138.05516	4.4
139.03885	2.0
147.05510	1.1
147.09174	4.4
147.11731	1.0
148.03937	1.7
148.07570	12.2
149.05975	4.0
149.07115	1.8
150.05534	3.2
151.03882	3.4
151.07544	1.2
151.08658	0.9
152.07111	1.7
156.06570	0.9
157.07555	0.8
158.06010	2.9
164.07135	0.9
165.05502	1.5
165.10213	2.4
166.08629	3.2
167.03369	0.8
167.07051	10.2
168.04225	2.8
175.08687	7.2
175.14799	0.9
176.07080	13.9
179.03345	0.9
181.08531	1.6
183.06544	20.1
185.07126	0.9
193.04916	2.4
193.09772	13.6
193.12262	1.3
194.08200	5.2
211.06010	68.3
211.10764	29.4
212.06357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0603
Annotation	Alcanivorone
Peak:m/z	Relative Intensity
53.03952	1.2
55.01873	1.5
55.05521	3.1
56.96563	3.4
57.03442	1.3
57.07089	0.9
59.05539	0.7
67.05503	3.1
68.99794	0.6
69.03446	0.8
69.07081	1.9
70.06593	0.8
71.04986	1.2
71.33800	1.1
75.04484	58.1
76.04850	0.6
78.04727	1.2
79.05500	2.7
80.05022	0.6
80.72768	0.6
81.03413	6.5
81.07069	3.5
82.06609	0.6
83.04996	2.4
83.08631	1.5
84.08181	0.6
85.02908	1.7
85.06551	0.8
91.05490	5.5
93.07072	4.0
95.04974	6.2
95.08604	3.2
97.02898	1.7
97.06547	0.7
99.04458	0.7
103.05492	1.2
105.03376	1.3
105.07051	1.8
107.04990	1.7
107.08607	2.3
108.08067	0.7
109.02876	4.9
109.06532	2.1
109.07625	1.1
109.10172	3.5
111.04449	0.7
111.05586	0.7
111.08090	0.9
116.00229	0.7
116.98672	1.2
119.04953	0.8
119.08583	2.2
120.08125	0.7
121.02888	1.1
121.06516	3.1
121.07533	0.6
121.10116	1.7
122.06013	0.8
123.04436	8.0
123.08047	1.0
123.11727	0.9
124.05215	3.4
127.03952	4.0
129.07010	0.8
132.04462	1.4
133.02901	1.0
133.06540	1.2
133.10127	1.8
135.11714	1.7
137.02351	100.0
137.03413	7.0
137.05962	9.1
137.09653	1.3
138.02684	0.8
138.05498	0.9
138.06528	0.7
141.05482	0.7
147.09195	1.0
147.11687	0.8
148.07544	1.3
149.02335	1.5
149.06035	3.8
151.03908	3.6
151.07565	1.2
151.08655	0.6
152.04506	0.8
152.08102	0.7
157.10115	1.2
165.05481	3.0
165.09056	0.8
166.06241	0.7
166.08708	0.7
167.07037	20.2
168.04185	3.7
175.08691	0.8
175.11189	1.2
176.07076	1.6
181.08568	2.8
183.06540	22.2
187.03822	0.7
193.04901	1.3
193.08423	1.1
193.09915	1.4
193.12263	2.1
194.08067	1.1
205.98759	0.8
211.06013	66.9
211.10954	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	210.0761
Annotation	Penidilamine
Peak:m/z	Relative Intensity
53.03938	0.7
53.78159	0.4
55.05507	2.3
56.05842	0.8
65.82446	0.4
67.05502	0.8
68.05820	0.4
69.03419	0.6
69.60737	0.4
70.55910	1.7
71.04993	0.6
74.06072	0.9
79.05502	2.3
81.03419	1.5
81.07041	0.6
82.06586	0.9
83.04979	1.8
83.08622	0.9
84.05309	1.5
84.37000	0.4
91.05496	0.7
93.07008	0.6
94.06572	2.4
95.04980	3.3
95.05523	0.6
96.05290	1.0
97.06535	0.6
103.05490	0.6
104.04996	2.1
105.03376	0.8
107.01310	1.7
107.04951	3.6
107.08564	1.0
108.08874	0.6
109.02884	2.9
109.06523	0.6
109.10160	0.7
110.03674	2.4
110.10489	0.5
111.04422	2.2
120.08072	0.6
120.08922	0.6
121.06472	0.8
122.06023	7.2
122.06860	0.6
122.10445	0.6
123.04457	2.0
124.05237	0.4
124.11999	0.6
132.04442	4.1
132.08842	0.5
133.02823	0.5
134.03604	0.8
134.10472	0.9
135.00777	0.5
135.04399	1.6
136.03915	3.1
137.02353	6.0
139.03880	1.4
143.01277	0.9
148.07594	1.0
150.05496	12.4
150.13548	0.5
151.03900	0.8
151.06320	5.0
151.07466	0.9
151.11197	0.7
152.11497	0.8
153.01891	0.5
154.02766	0.4
156.99846	0.5
160.03938	3.4
161.02364	2.7
166.08632	1.6
167.03398	2.8
167.06979	0.8
168.06532	1.2
168.14636	1.8
169.04977	2.6
174.13568	0.5
178.04993	100.0
179.05360	0.7
182.08102	1.0
183.02881	0.6
186.99437	0.5
192.06517	0.8
193.04993	2.6
196.06108	2.4
210.07610	39.8
210.15651	2.0
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
55.01865	3.6
55.05508	11.0
57.07062	2.8
59.48777	1.6
67.05492	5.4
69.03421	6.1
69.07059	4.7
69.87866	9.8
70.41077	1.5
71.04987	1.8
75.15142	1.5
78.28089	1.4
79.05482	6.9
81.06735	1.3
81.07063	15.0
83.04964	3.9
83.08605	5.1
91.05476	11.7
93.07028	7.4
95.04951	5.1
95.08595	5.8
97.06554	2.9
98.20842	3.0
100.11254	4.3
102.01964	1.7
103.05453	3.3
105.07022	7.4
106.04174	5.3
107.04961	2.3
107.08597	23.1
109.06516	15.9
109.10183	10.3
111.04435	1.9
115.05414	2.1
117.07001	5.6
119.08555	5.4
121.06486	7.4
121.10141	15.6
122.07285	9.0
123.08103	2.2
125.06011	2.2
125.09605	3.8
129.94722	1.5
131.08574	2.3
133.10138	100.0
135.08057	22.1
135.11678	2.0
137.09619	95.3
139.07532	3.7
147.11685	1.9
148.05139	1.9
149.06003	6.5
149.13245	13.1
151.11180	4.6
153.09065	4.1
158.10873	2.3
163.14819	3.7
167.07066	13.7
167.14310	3.7
173.13295	4.2
177.05444	6.2
181.08606	3.0
182.15453	1.8
191.14233	8.8
209.08115	8.3
209.11790	2.0
209.15237	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	209.1649
Annotation	N-Methyltetrahydrocytisine
Peak:m/z	Relative Intensity
53.03934	0.6
54.03460	0.7
55.01868	2.6
55.05272	0.5
55.05511	5.4
56.05020	0.3
56.96547	0.9
57.03415	0.4
57.07079	1.4
58.49707	0.3
59.04996	0.3
62.76619	0.3
65.03927	0.5
67.02965	0.3
67.05505	4.0
68.05020	1.0
69.03416	0.5
69.04545	0.8
69.06731	0.3
69.07069	4.5
69.44084	1.1
69.44513	1.4
71.04986	0.5
73.06541	0.3
75.04480	0.5
78.04698	0.4
79.05508	1.9
81.03400	0.8
81.07056	2.9
82.06567	1.1
82.90353	0.3
83.04982	2.2
83.07364	7.5
83.08602	1.2
84.08141	1.4
85.02917	0.5
85.06540	8.5
89.03909	0.5
91.05487	2.9
93.03391	0.7
93.07034	2.4
95.04980	5.7
95.06067	0.8
95.08598	1.2
96.08129	6.0
97.02892	0.7
97.06525	1.2
98.09689	2.0
99.04447	0.3
103.05478	1.4
105.07028	1.3
105.07703	0.3
106.04176	2.0
107.04934	0.6
107.08590	2.0
108.45887	0.3
109.06516	2.6
109.10188	0.9
110.09667	0.5
111.04431	1.0
111.08087	0.9
112.07603	0.8
112.53357	0.3
117.07013	0.4
117.95920	0.3
119.04938	0.4
119.08588	0.8
121.06501	3.8
121.07614	2.7
121.10159	1.4
123.09190	100.0
124.09526	1.0
125.05991	1.1
125.09584	0.5
131.04942	0.6
131.08562	0.8
133.10110	1.0
134.03624	0.4
135.04446	0.5
135.08058	0.8
135.11707	0.7
138.12767	0.5
139.07573	0.5
139.08649	0.9
145.02773	0.6
145.10112	0.9
148.05203	0.6
149.05997	4.3
149.09633	1.6
149.13313	0.4
150.06351	0.3
151.11159	0.9
153.05544	0.3
153.09131	1.2
153.12720	0.8
163.07518	0.6
163.11180	0.8
165.12799	0.3
166.07703	0.3
167.07014	0.5
167.14316	0.7
173.13261	0.7
176.04749	0.3
177.05478	3.2
181.08633	0.8
182.15421	7.1
186.09152	0.3
191.07086	1.1
191.10793	0.8
191.14195	1.3
207.44931	0.3
209.04456	1.1
209.08087	2.8
209.11926	1.3
209.16530	66.2
210.16846	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03923	1.5
55.05502	6.9
56.96558	0.9
57.03440	4.5
57.07056	2.8
59.04987	2.8
59.65209	0.8
60.53255	0.8
64.20814	1.1
65.03918	1.4
67.05514	7.8
69.03409	2.2
69.07056	6.8
70.56718	1.8
70.57105	2.0
71.04990	8.0
79.05490	11.1
81.07056	30.8
83.04981	5.6
83.08630	6.6
85.06530	2.7
91.05467	8.2
93.07050	15.7
95.04967	40.1
95.08604	11.4
97.06535	28.8
97.10146	2.5
99.04462	9.4
99.08090	1.9
103.05416	1.2
105.07038	16.2
106.04171	1.7
107.04953	1.3
107.08598	21.7
109.06519	100.0
109.09451	1.6
109.10152	20.7
111.04422	1.2
111.08089	6.5
115.07589	1.0
117.07000	1.7
119.08566	4.7
121.06494	4.1
121.09315	1.4
121.10145	21.7
123.08064	6.2
123.11712	2.8
125.09624	4.0
131.08559	12.2
133.10135	53.0
135.08032	12.1
135.11674	4.2
139.11195	1.5
143.08568	1.2
145.10109	6.4
147.11674	3.6
149.05980	2.5
149.09592	3.0
149.13280	8.1
151.11179	7.8
153.09103	29.3
158.10860	4.5
163.07564	1.9
163.11099	1.2
163.14842	5.2
165.12770	1.5
167.14330	3.6
173.13264	22.5
177.05478	2.2
178.09799	2.1
181.08583	1.8
191.06972	1.4
191.14308	28.6
209.08075	2.4
209.11772	2.8
209.15375	35.2
221.66167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03925	3.8
55.01859	2.4
55.05512	100.0
57.03408	2.7
57.07051	2.8
59.04988	3.8
65.03920	2.6
67.05504	9.1
69.03397	6.6
69.07069	13.3
71.04963	5.5
71.14542	2.5
71.14880	3.4
73.65618	1.8
79.05459	7.6
81.07063	15.5
82.06555	3.1
83.04984	73.0
83.08617	68.2
84.86736	1.7
85.06511	5.3
91.05495	9.8
93.06492	2.0
93.07046	32.6
93.45242	1.7
95.04974	68.7
95.08610	11.5
97.06552	9.0
97.10179	14.3
97.68555	1.7
99.03929	1.3
99.04458	13.8
100.11221	4.8
103.05418	2.6
105.06992	7.7
106.04123	2.2
107.08598	44.4
109.06545	11.2
109.09476	2.2
109.10159	29.2
111.08078	10.4
113.09604	4.3
119.08520	4.9
121.06486	4.0
121.10149	96.3
123.08030	3.2
123.11709	12.1
125.09642	14.8
131.08498	2.5
133.10143	15.7
135.04485	1.8
135.08002	2.9
135.11638	3.1
135.86908	1.6
137.09729	1.9
139.08595	3.0
144.57629	1.7
149.05910	6.5
149.13295	10.3
151.11180	69.5
153.08081	2.1
153.09113	23.9
163.11095	2.1
163.14835	18.5
167.14322	93.3
173.13242	6.1
177.05450	5.6
191.14325	10.9
195.44751	1.7
209.04411	3.1
209.08005	4.1
209.15288	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	4.5
55.01871	7.5
55.05515	65.0
57.07087	3.7
59.04992	4.9
65.03941	3.2
67.05515	10.9
69.03423	5.9
69.07067	10.2
71.04985	7.7
71.34351	3.8
79.05488	10.4
81.03416	2.2
81.07057	19.1
83.04987	49.1
83.08620	34.9
84.84845	2.3
85.06547	5.4
91.05483	10.7
93.07046	28.4
95.04972	100.0
95.08618	15.4
97.06541	13.9
97.07643	2.3
97.10166	7.1
99.04469	18.6
99.08084	3.4
103.05457	2.9
105.07041	11.0
107.08594	38.9
109.06519	37.1
109.10156	29.4
110.06062	2.3
111.04453	2.4
111.08071	13.7
113.09654	3.8
117.03393	2.0
117.53787	2.0
119.08588	6.3
120.04431	2.3
121.06509	7.5
121.10144	74.4
123.04422	5.6
123.08038	6.1
123.11697	10.6
125.09631	11.3
131.08566	5.9
133.10133	21.9
135.04384	2.2
135.08061	9.2
135.11681	5.6
136.07646	1.9
145.10129	4.1
146.05908	2.6
147.04427	3.7
147.11671	2.2
149.05974	6.4
149.09602	6.2
149.13289	9.0
151.11189	48.4
153.09114	30.6
162.87125	1.8
163.07484	2.3
163.14845	12.1
167.14331	64.9
173.07117	2.6
173.13261	13.4
174.05377	1.9
177.05489	11.1
191.06931	4.3
191.10588	3.0
191.14340	21.2
192.06516	4.2
202.77173	1.9
209.04427	4.3
209.08118	7.8
209.09859	2.8
209.11928	3.1
209.13445	4.4
209.15387	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	5.1
55.01871	8.6
55.05515	16.6
56.96561	1.6
57.03442	2.4
57.07077	6.0
57.10828	2.0
59.05006	2.9
61.80443	1.8
65.03931	5.2
67.05501	13.2
69.03445	16.2
69.07073	13.8
71.04993	6.5
71.24866	3.5
78.04742	3.0
79.05499	13.7
81.03442	2.2
81.07060	30.2
83.04984	16.8
83.08611	8.6
85.02913	3.8
85.06528	4.0
86.43462	1.8
87.52564	2.1
90.28706	1.9
91.05486	29.6
93.03414	6.1
93.07050	20.4
95.04978	38.9
95.08614	16.1
97.06541	7.7
97.10192	3.8
98.97591	3.2
99.04470	9.4
100.30573	2.2
103.05456	5.7
105.04617	2.2
105.07029	19.2
106.03536	2.5
106.04187	20.0
107.04967	6.3
107.08608	57.0
109.06530	41.5
109.10170	22.0
111.04435	2.7
111.08075	5.9
115.05470	3.4
116.98648	2.3
117.03424	3.5
117.07042	7.2
119.04904	2.1
119.08601	9.9
121.06506	32.3
121.10146	35.1
122.07305	10.8
123.04402	2.9
123.08070	9.9
123.11716	7.6
124.05223	3.6
125.06030	3.5
125.09641	19.7
128.02364	2.5
131.04913	2.8
131.08569	10.2
133.10135	100.0
134.03613	4.1
135.04410	4.7
135.08064	33.1
135.11700	6.7
137.05977	4.4
137.09625	70.3
139.07576	7.4
143.08603	2.0
145.02890	2.1
145.10139	5.4
147.07985	2.2
147.11728	6.0
148.05209	4.3
149.05991	34.2
149.09633	9.2
149.13268	22.3
151.07652	3.6
151.11197	12.4
153.05460	2.7
153.09125	19.5
158.10902	3.9
163.03981	2.3
163.07588	6.2
163.11214	4.6
163.14810	10.4
165.05499	2.3
165.12750	5.6
166.06270	4.5
167.07060	19.7
167.14342	7.0
173.13298	17.8
177.00719	2.0
177.05464	22.1
178.06235	9.0
178.09860	2.4
181.05011	5.0
181.08595	12.0
191.07036	5.1
191.10678	2.9
191.14322	44.8
194.05788	2.2
194.09477	2.4
209.04498	6.6
209.08089	25.7
209.09981	2.8
209.11745	10.1
209.15379	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	1.5
54.31279	0.8
55.01863	3.4
55.05262	1.5
55.05512	23.1
55.42822	0.8
57.03421	2.0
57.07060	3.1
58.29130	0.9
59.05022	1.7
59.30593	0.8
65.03957	1.3
67.05509	8.2
69.03434	9.9
69.07063	7.3
70.06602	1.3
70.77413	2.6
71.04998	9.1
71.13844	0.8
71.56295	0.8
75.04472	1.1
79.05495	6.7
81.03420	1.8
81.07054	12.6
83.04984	21.3
83.08626	11.8
85.02901	1.0
85.06546	3.2
91.05491	7.9
91.24461	1.0
93.03403	1.3
93.07044	12.7
95.04972	100.0
95.08612	9.2
97.06541	6.7
97.10201	4.0
99.03828	1.8
99.04458	25.6
99.08089	3.3
102.61475	0.9
103.05471	2.4
105.07037	7.5
106.04179	4.0
107.04984	1.1
107.08596	20.7
108.08144	0.9
109.02867	2.1
109.06519	29.7
109.10158	10.9
111.08086	6.8
113.06033	1.1
117.06996	1.5
119.08599	5.2
121.06495	6.6
121.10153	17.5
123.08079	4.9
123.11716	4.8
125.06007	1.9
125.09647	14.0
129.06989	1.2
131.08563	7.0
133.10139	17.1
135.08086	8.5
135.11687	6.3
137.05966	1.1
137.09608	2.0
139.07521	2.2
139.11153	1.2
144.45110	0.9
145.10097	3.5
147.08020	1.3
147.11736	3.2
148.05190	1.2
149.05989	7.8
149.09644	5.8
149.13248	7.0
151.11185	16.3
153.05493	2.1
153.09111	32.6
163.07530	2.0
163.11224	1.4
163.14827	7.0
165.12837	2.2
167.07007	3.1
167.14316	20.7
173.13257	11.1
177.05463	7.1
181.08588	1.1
191.07059	1.5
191.10631	1.7
191.14307	23.1
194.05757	1.7
200.63477	0.8
209.04420	2.0
209.08089	8.2
209.15381	50.1
227.36580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	3.4
55.01865	7.5
55.05512	16.6
57.03423	2.2
57.07069	2.6
59.04989	2.3
65.03929	1.7
67.05507	9.1
68.99800	1.5
69.03426	7.1
69.07066	9.9
69.28090	4.1
69.28514	6.8
71.05003	7.6
71.08626	1.3
79.05491	8.8
80.40851	1.0
81.03404	2.1
81.07059	13.0
83.01343	19.5
83.04985	11.7
83.08617	6.9
85.02898	2.1
85.06542	3.6
91.05488	13.2
93.03392	4.0
93.07043	18.8
95.04971	83.9
95.08611	9.5
97.02885	1.4
97.05982	1.8
97.06540	17.5
97.10161	3.0
99.04461	19.3
99.08097	21.6
101.06006	5.3
103.05460	6.0
105.07031	8.3
106.04178	6.2
107.04971	5.9
107.08600	22.5
109.02879	5.3
109.06515	18.7
109.10165	13.6
111.04454	2.8
111.08091	13.0
117.07015	1.7
119.08601	5.4
121.06517	15.7
121.10147	21.9
121.43335	1.1
123.08058	5.1
123.11703	3.9
125.05980	4.5
125.09635	18.5
127.07502	1.6
131.04982	2.0
131.08572	5.8
133.10132	17.0
134.03624	1.6
135.04413	2.1
135.08046	10.9
135.11670	4.5
137.05959	1.5
137.09596	6.7
139.07538	17.4
139.11188	11.0
145.02852	1.9
145.10106	4.3
147.11679	4.0
148.05183	7.1
149.05994	17.5
149.09630	17.0
149.13254	9.0
151.11182	15.9
153.01823	14.8
153.05478	3.2
153.09102	38.2
154.09901	1.4
155.10718	1.6
158.10870	1.4
159.04405	1.6
163.03873	1.6
163.07553	2.6
163.11151	3.5
163.14832	8.1
165.05426	3.5
165.12804	1.9
167.03331	1.0
167.07048	7.8
167.10635	2.3
167.14331	3.5
173.13261	12.1
176.04762	1.7
177.05466	19.7
178.06224	1.2
181.08586	2.4
181.15862	8.0
191.07025	4.6
191.14307	28.0
194.05728	5.4
209.04535	2.1
209.06621	0.9
209.08090	28.3
209.15372	100.0
210.15712	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	1.1
55.01885	3.9
55.05509	2.8
57.03440	0.5
57.07077	3.6
59.04977	0.6
65.03938	1.6
67.05509	5.0
69.03431	1.2
69.07076	2.1
70.13665	2.2
70.95070	0.4
71.04993	3.3
75.04482	1.1
78.04710	1.3
79.05508	5.3
81.03419	1.5
81.07059	4.9
83.04974	2.8
83.08624	1.6
85.02886	1.4
85.06544	1.0
88.88518	0.5
89.03918	0.5
89.44795	0.4
91.05485	9.3
93.03406	3.8
93.07054	5.4
95.04974	6.7
95.08620	5.5
97.02913	0.5
97.06535	2.0
99.08127	0.6
99.68732	0.4
103.05470	3.0
105.07024	4.3
106.04185	8.0
107.04951	1.1
107.08609	7.2
109.06525	100.0
109.10159	10.1
110.06865	1.0
111.04448	1.0
111.08100	2.0
117.03393	1.0
117.07010	1.7
119.04949	0.5
119.08563	1.8
121.06517	11.4
121.10152	4.3
123.04526	0.5
123.08074	8.4
123.11710	0.7
124.73002	0.4
125.05997	2.9
125.09660	1.9
131.04938	0.9
131.08591	6.0
133.06532	0.6
133.10143	4.1
134.03629	1.1
135.04448	0.6
135.08060	24.7
135.11729	1.2
137.06023	1.1
138.06761	1.1
139.07550	0.8
139.11218	1.2
143.08519	0.6
145.02884	1.2
145.10133	2.1
147.04468	0.6
147.08047	1.0
147.11714	1.8
148.05206	1.0
149.06000	12.0
149.09627	3.6
149.13249	1.7
150.10426	1.7
151.11208	3.1
153.05472	1.8
153.09111	6.3
153.12755	0.9
156.95299	0.4
158.10919	1.4
163.07603	1.2
163.11163	2.0
163.14815	0.8
163.97733	0.5
165.05540	0.5
165.12804	0.8
166.06334	0.5
166.07741	0.4
167.07053	1.4
167.14311	1.0
173.13275	7.7
176.12024	1.1
177.05499	6.8
181.08607	2.2
191.07071	1.3
191.10680	1.3
191.14317	23.9
202.21210	0.5
209.04509	0.9
209.08072	5.0
209.11783	1.3
209.15375	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.9
55.01661	1.6
55.01870	16.2
55.05513	100.0
56.96559	3.1
57.03418	6.5
57.07062	3.4
59.04989	2.6
65.03928	2.7
67.05511	10.4
69.03445	11.9
69.07073	47.6
70.06579	2.2
70.85004	4.7
71.04989	5.3
75.50714	1.7
79.05495	12.4
81.07053	13.4
82.36075	1.6
83.04982	34.2
83.08621	14.4
85.02900	2.9
91.05479	15.0
93.03407	3.2
93.07047	24.0
95.04369	2.5
95.04974	43.1
95.08597	10.4
97.02919	3.2
97.06530	63.6
97.10181	3.5
98.97580	2.0
99.04439	7.4
103.05454	5.0
105.07013	7.4
106.04161	8.4
107.04984	3.6
107.08588	25.4
109.06511	17.5
109.10158	21.1
111.04425	2.3
111.08085	4.8
115.17038	1.9
117.03394	2.0
119.04942	3.7
119.08558	4.1
121.06487	14.4
121.10143	55.0
123.08027	3.5
123.11687	7.2
125.06006	4.1
125.09636	10.6
127.03952	2.4
127.11221	23.0
131.04893	4.3
131.08562	3.8
133.10143	11.0
135.04431	3.0
135.08043	6.6
135.11676	5.9
137.06039	2.2
137.09618	2.4
139.03857	2.2
139.07530	3.3
143.03368	5.7
145.10162	2.4
147.04420	2.8
147.08020	3.0
147.85872	1.7
148.05183	2.1
149.02304	1.7
149.05974	12.1
149.09618	7.8
149.13297	4.2
151.11201	17.1
152.21638	1.9
153.01831	49.2
153.05469	13.2
153.09111	19.4
163.03900	19.4
163.07547	2.4
163.11185	3.6
163.14830	11.6
164.88185	1.9
167.03401	10.6
167.07082	2.6
167.14323	18.5
170.05766	2.2
171.02925	2.0
173.13254	10.0
177.05464	11.9
178.06294	1.7
181.04962	45.9
181.08498	3.2
191.03435	3.3
191.07048	6.0
191.14328	50.1
209.04451	57.7
209.07939	13.3
209.11707	4.0
209.13487	4.0
209.15390	54.2
209.17378	3.9
210.04771	2.4
210.15784	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.80693	2.0
55.01877	12.0
55.02097	2.3
55.05511	67.4
57.03426	2.1
57.07072	5.1
59.05011	2.1
60.76582	1.8
65.03922	2.3
67.05511	9.3
69.03421	8.7
69.07055	9.2
70.89085	4.0
70.89417	2.2
71.04996	7.1
78.04700	2.3
79.05482	11.3
81.03406	2.8
81.07069	20.4
82.06567	11.6
83.04547	3.3
83.04987	39.1
83.08622	40.7
84.08136	3.0
85.06548	3.8
91.05475	15.4
93.03381	4.3
93.07051	14.5
95.04969	70.8
95.08617	9.1
97.02940	2.7
97.06537	8.8
97.10140	5.1
98.09698	2.1
99.04456	11.8
100.07630	3.9
100.11258	36.9
103.05476	7.1
105.04512	2.3
105.07022	10.5
106.04164	7.8
107.04957	7.1
107.08602	32.6
109.06512	17.2
109.10170	20.0
110.06074	4.4
111.04444	4.6
111.08090	8.8
115.05479	1.9
117.07045	2.4
119.08575	4.8
121.06521	16.4
121.10154	19.5
122.07273	4.5
123.08073	4.8
123.11685	6.6
124.05257	3.7
125.05956	3.0
125.09652	9.8
127.08652	4.4
128.07059	3.8
131.04929	3.4
131.08524	5.1
133.10136	71.9
134.03688	2.7
135.08051	16.0
135.11726	2.7
137.05997	3.3
137.09612	65.5
139.07553	47.6
139.08617	6.3
145.02861	4.0
145.10136	4.9
147.11671	5.7
149.05986	17.3
149.09596	6.7
149.13219	13.9
151.11183	33.7
153.05542	3.2
153.09125	21.6
163.07570	3.0
163.11136	3.5
163.14859	3.2
165.12712	2.6
166.06203	5.2
167.07043	100.0
167.14317	42.7
168.07365	2.3
173.13258	8.8
177.05525	9.6
181.08640	11.4
182.15392	21.2
191.07036	5.1
191.14301	18.7
209.04477	2.5
209.08124	29.7
209.12029	2.4
209.15395	34.7
209.16858	8.9
210.14883	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	2.4
55.01863	5.3
55.04324	1.2
55.05517	61.8
57.03429	3.9
57.07077	3.1
59.04996	5.3
60.05663	1.3
65.03946	1.6
67.05518	8.5
69.03423	6.0
69.07069	8.6
69.63206	9.6
70.06591	5.4
71.05003	8.7
73.90565	1.4
79.05499	9.6
81.07066	14.5
83.04990	48.8
83.08627	36.3
85.06542	4.8
85.11572	1.3
90.03331	1.2
91.05480	8.9
93.07049	35.6
95.04976	36.2
95.08614	12.5
97.02916	1.5
97.06553	11.2
97.10159	6.9
99.04478	8.8
99.08099	3.1
103.05460	3.3
105.07043	10.4
106.04171	2.8
107.08602	40.9
109.05792	1.7
109.06532	29.2
109.10169	23.4
111.04387	1.6
111.08102	9.5
112.08838	2.4
113.09649	2.8
115.61077	1.6
119.08569	5.9
121.06536	4.4
121.10154	100.0
123.08072	5.5
123.11697	8.0
125.06055	1.5
125.09637	10.4
131.04958	2.0
131.08583	4.3
133.10167	15.0
135.08070	6.6
135.11713	5.9
139.11192	2.0
143.03432	1.9
145.10173	1.8
147.04375	2.0
147.11691	3.5
149.05977	5.6
149.09589	2.3
149.13290	6.3
151.11195	35.8
153.01866	7.5
153.05424	3.5
153.09117	19.1
163.03941	4.9
163.07442	1.7
163.14851	19.8
165.12807	1.8
167.03439	1.9
167.07062	2.4
167.14333	56.0
173.13283	10.8
177.05508	4.0
178.09865	3.2
181.04977	6.9
181.57530	1.4
191.14336	23.2
209.04456	13.0
209.08084	4.6
209.11732	3.4
209.15385	60.1
209.60831	2.3
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
50.71248	2.7
53.03935	7.9
55.01879	23.9
55.05512	56.7
56.96550	16.4
57.03428	6.9
57.07063	9.7
59.04997	18.8
65.03918	8.0
67.05503	22.5
69.03426	22.3
69.07063	20.8
69.67002	14.8
69.67405	6.7
70.06588	6.6
71.04990	14.9
78.04709	4.3
79.05498	28.2
79.41199	3.1
81.03413	4.7
81.07060	28.5
83.04983	45.4
83.06078	4.4
83.08622	30.8
84.04474	3.0
85.02875	8.2
85.06509	6.9
87.04427	3.5
89.06051	4.0
91.05484	35.8
93.03395	10.4
93.07041	42.1
95.04965	65.6
95.08609	22.6
97.02883	7.9
97.06543	33.6
97.10153	6.5
98.21471	6.2
98.97600	6.1
99.04438	11.4
99.08065	3.8
103.05480	18.0
103.07595	5.6
105.04561	3.0
105.07025	25.4
106.04195	20.9
107.04942	10.6
107.08593	54.1
109.02896	3.1
109.06516	84.3
109.07629	6.6
109.10162	29.2
111.04430	6.3
111.08054	13.5
113.09651	3.7
115.05479	2.8
116.98608	4.8
117.03378	6.0
117.07008	9.2
118.04166	3.4
119.01751	3.7
119.04977	6.1
119.08585	11.5
121.02895	3.4
121.06512	35.1
121.10143	60.2
123.04453	5.7
123.08043	14.2
123.11699	9.5
125.05971	8.2
125.09666	19.5
128.52495	3.9
131.04929	16.7
131.08560	13.6
133.08603	3.3
133.10120	35.2
134.03604	8.7
134.99637	4.9
135.04385	7.1
135.08058	23.0
135.11676	12.2
136.54201	3.1
137.05980	7.8
137.09563	6.3
138.06769	3.9
139.07520	6.1
145.02841	6.9
145.06468	11.0
145.10110	11.2
146.99519	3.0
147.04417	7.8
147.07971	3.5
147.11690	5.8
148.05186	7.8
149.02322	5.1
149.05977	58.5
149.09605	14.9
149.13231	11.6
151.07532	7.3
151.11195	36.6
152.08118	3.9
153.01839	16.4
153.05482	12.3
153.09103	37.1
159.04431	4.4
163.03900	12.5
163.07573	15.9
163.11226	7.9
163.14812	13.7
165.05580	3.3
165.12778	6.0
166.06216	3.9
167.03276	5.3
167.06993	8.0
167.14310	45.4
173.13278	24.8
176.55362	7.5
177.05493	45.5
178.05246	3.4
181.05009	16.9
181.08592	11.9
181.98624	3.0
185.05745	4.1
185.55916	5.0
188.05121	3.0
191.05489	3.8
191.06975	19.2
191.14323	39.0
194.02080	9.2
194.05667	6.3
194.58521	3.2
198.06378	3.4
209.04430	60.9
209.08005	40.9
209.09850	4.9
209.11740	6.7
209.13771	4.3
209.15369	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	6.1
55.01886	13.3
55.05515	100.0
56.96561	7.9
57.03430	9.4
57.07073	7.0
59.05011	16.8
65.03954	4.0
65.91109	1.8
67.05511	20.7
68.99773	2.7
69.03434	20.4
69.07069	59.2
70.06594	4.1
71.04987	9.9
71.60002	3.8
71.60363	3.1
73.02895	3.0
75.04462	2.9
79.05499	21.3
81.03414	4.3
81.07065	24.4
83.04987	40.2
83.08637	13.5
85.02913	8.0
85.06550	6.2
89.03954	2.6
89.06035	44.7
91.05479	23.9
93.03402	2.5
93.07054	34.4
95.04976	44.0
95.08606	21.7
97.02886	3.4
97.06541	49.7
97.07550	2.3
97.10175	3.1
98.97588	5.4
99.04450	12.4
99.08114	2.1
103.05463	6.4
103.07569	4.4
105.07040	16.1
106.04145	5.3
107.04951	7.9
107.07079	2.4
107.08600	48.4
109.06519	33.2
109.10164	23.3
111.04421	3.9
111.08063	10.6
116.98646	4.0
117.03401	2.3
119.04966	13.0
119.08588	11.1
121.06503	23.4
121.10150	88.4
121.11034	4.9
123.04440	21.3
123.08083	10.2
123.11742	10.0
125.05991	4.4
125.09648	10.2
127.11207	25.0
129.62808	2.2
131.04936	9.7
131.08572	9.4
133.08591	17.9
133.10120	16.9
134.03639	2.9
134.99628	4.0
135.04442	4.9
135.08086	15.9
135.11705	14.0
137.06003	5.9
137.09615	4.5
138.06726	2.0
139.07541	4.4
139.11191	3.0
143.00186	8.5
143.08562	3.0
145.02802	4.7
145.10153	7.2
147.04428	32.0
147.11690	4.9
148.05199	3.0
149.05995	52.7
149.09613	18.3
149.13289	7.2
150.10252	3.2
151.07571	3.6
151.11237	16.8
153.05449	4.5
153.09113	23.1
158.10896	2.8
161.01241	10.3
163.03894	4.3
163.07527	11.9
163.11229	5.5
163.14838	21.6
164.07068	4.4
165.05591	2.7
165.12775	3.4
167.07030	5.0
167.10727	2.9
167.14264	11.3
170.05765	2.6
170.99747	2.3
173.13301	15.0
177.00664	2.5
177.05464	18.8
181.04993	5.6
181.08589	3.5
185.01201	3.4
191.07025	15.0
191.10718	4.2
191.12654	4.3
191.14325	61.7
194.05713	2.5
203.02376	2.8
209.04355	13.3
209.07933	19.2
209.09526	3.0
209.09862	5.0
209.13776	3.3
209.15410	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	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	2.1
54.87598	1.5
55.01864	3.6
55.05513	78.6
57.03444	2.2
57.07077	2.3
57.49938	1.5
58.73611	1.4
59.04987	3.0
67.05508	9.2
69.03437	6.4
69.07069	6.6
69.24684	19.5
69.25024	3.4
71.04993	3.0
79.05490	6.2
81.07059	12.2
83.04984	81.9
83.08620	46.4
85.06541	4.0
91.05479	5.0
92.52977	1.7
93.07039	10.1
95.04975	13.3
95.08617	9.6
97.06539	8.3
97.10162	8.4
98.20490	1.4
99.04417	1.9
105.07037	6.0
106.04161	1.6
107.04974	1.8
107.08589	23.0
107.91550	1.4
109.06511	12.0
109.10157	28.3
111.08096	14.3
119.08566	2.8
121.06561	3.5
121.10135	13.2
123.08049	2.9
123.11713	15.0
124.84254	1.6
125.09625	14.7
127.07510	1.7
131.08601	3.0
133.10146	16.5
135.08057	3.3
137.09616	4.6
147.11719	2.3
149.05978	2.7
149.09644	3.5
149.13249	10.9
151.07579	3.6
151.11194	57.9
153.09114	5.5
163.07556	2.1
163.14825	2.3
167.14326	100.0
168.07732	2.3
173.13358	4.6
177.05522	2.6
178.09909	2.8
179.07022	2.3
181.08620	6.1
191.14322	9.6
194.09401	6.0
209.08134	2.5
209.11967	8.5
209.15370	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03955	1.5
55.01874	1.6
55.05519	7.4
57.03437	1.0
57.07078	2.0
59.05001	1.3
67.05518	5.4
69.03430	12.8
69.07069	4.6
69.53782	1.9
69.54207	3.4
71.04993	3.3
79.05496	4.8
79.05891	0.8
81.03425	11.0
81.07065	9.6
83.04990	7.7
83.08609	4.5
85.02898	0.9
85.06551	1.2
91.05495	4.3
93.07037	6.8
95.04978	22.2
95.08607	12.6
97.06541	5.3
99.04452	3.1
99.08105	1.7
103.05431	1.4
105.07031	8.0
106.04196	1.0
107.04977	1.2
107.08595	14.9
109.06524	23.7
109.10172	5.3
111.08109	3.7
117.07018	0.9
119.08586	7.1
121.06504	3.5
121.10136	16.0
123.08077	12.5
123.11702	8.8
125.06011	0.9
125.09630	2.7
127.07674	0.7
131.08582	2.6
133.10162	4.8
135.08063	4.6
135.11713	2.2
137.09619	3.1
137.13255	2.4
145.10136	2.0
147.11693	5.4
149.05989	1.4
149.09628	12.0
149.13264	8.0
151.11176	8.6
153.09126	6.5
158.10936	1.3
163.14880	1.2
165.12764	100.0
167.07047	1.0
167.14316	4.3
173.13295	6.6
177.05467	1.6
191.14339	7.5
209.08090	2.2
209.15375	67.1
210.15750	1.2
220.48997	0.7
227.37819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02403	0.8
53.03943	4.8
53.45358	0.6
54.89789	0.6
55.01873	48.3
55.05511	21.1
56.96574	0.9
57.03442	4.1
57.07074	3.6
57.07537	0.6
59.05006	3.5
59.51350	0.7
60.47669	0.7
65.03944	5.0
67.05504	39.6
69.03428	5.8
69.07069	13.6
70.06606	1.0
70.20434	2.6
71.04990	7.6
71.08591	0.8
73.02920	2.1
75.04478	2.2
77.03922	1.0
78.04697	3.2
79.05495	27.6
81.03416	4.7
81.07058	30.7
83.01319	0.8
83.04982	93.3
83.08617	12.1
85.02914	9.3
85.06551	6.5
87.04452	0.8
89.03926	1.9
91.05483	28.8
93.03409	7.6
93.07044	51.0
95.04969	18.1
95.08612	16.0
97.02893	1.1
97.06531	19.8
97.10157	1.7
99.04456	9.6
99.08100	5.5
101.02358	2.6
103.05470	8.1
105.03391	1.1
105.04579	0.9
105.07035	10.0
106.04169	20.3
106.04861	1.2
107.04966	9.5
107.08592	24.9
109.02914	0.7
109.06523	11.0
109.10153	14.8
111.04443	100.0
111.08080	40.0
112.04774	1.2
115.05497	1.0
117.03384	2.1
117.07024	8.4
118.04089	0.7
119.04976	1.9
119.08578	13.3
121.06509	27.3
121.10149	23.3
121.11035	1.5
123.04491	1.4
123.08079	3.0
123.11716	2.7
124.05209	0.9
125.05991	14.7
125.09643	4.1
127.03944	1.0
127.07629	0.7
129.05486	6.9
129.06958	4.6
130.07744	1.9
131.02994	0.6
131.04918	4.0
131.08569	15.4
133.06470	1.2
133.10132	5.9
134.03618	3.4
135.04434	1.4
135.08064	6.7
135.11693	30.6
137.05962	4.3
137.09630	1.7
138.06660	0.9
139.07561	3.2
141.05444	1.6
145.02887	3.2
145.06462	1.6
145.10121	23.8
147.04422	2.3
147.08054	1.6
147.11684	4.7
148.05180	3.8
149.05988	27.2
149.09625	18.0
149.13255	4.6
151.03839	1.0
151.07521	1.7
151.11227	3.2
153.05453	2.8
153.07050	0.9
153.09129	8.0
153.12747	42.8
155.08548	4.3
158.10909	0.7
159.04391	0.8
163.03896	0.7
163.07547	4.5
163.11183	42.6
163.14854	2.3
165.12706	1.7
166.06264	0.9
166.07675	0.9
167.03329	0.7
167.07034	4.5
167.14317	4.0
173.09621	11.0
173.13272	3.1
173.14560	0.7
173.55141	0.6
176.04672	1.4
177.04051	1.1
177.05496	17.4
181.05017	1.1
181.08670	7.8
181.12227	25.1
182.12628	0.7
191.07033	7.1
191.10660	32.8
191.14316	9.2
192.10992	0.8
194.05760	0.8
209.04471	3.9
209.06386	0.8
209.08092	14.2
209.09933	1.3
209.11719	30.6
209.15331	19.9
209.18866	1.1
219.80695	0.7
223.23460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02375	2.8
53.03950	32.5
55.01625	2.5
55.01875	36.8
55.05264	3.0
55.05512	45.4
56.96555	3.1
57.03427	7.9
57.07080	9.5
59.05001	9.3
65.03950	10.1
67.05508	74.1
69.03424	15.3
69.07068	51.9
69.45467	13.0
69.45889	3.8
71.01359	3.1
71.05003	35.6
75.04470	4.1
78.04723	4.3
79.05493	65.7
81.03421	80.4
81.07061	76.1
83.04983	56.8
83.08625	24.9
85.02892	8.4
85.06538	12.4
89.03894	4.2
91.05482	70.2
93.03413	12.1
93.07048	92.3
95.04971	69.5
95.08611	49.2
97.02897	3.5
97.06532	34.9
97.10159	7.4
98.20795	3.5
99.04463	18.9
99.08080	5.1
101.06051	2.3
103.05470	17.7
103.95639	1.6
105.03389	3.3
105.07037	28.4
106.04170	30.8
107.04291	2.9
107.04961	47.3
107.08598	78.3
109.06525	48.5
109.10165	35.7
111.04450	18.4
111.08085	19.5
111.11694	2.5
113.06003	2.4
113.09644	2.3
115.05517	3.7
115.07573	4.5
117.03433	4.5
117.07027	23.6
119.04927	5.6
119.08589	28.5
121.05648	3.9
121.06512	71.4
121.10146	84.2
123.04408	3.6
123.08073	17.4
123.11695	8.1
124.05202	3.7
125.05999	14.8
125.09636	19.2
127.07606	3.2
127.11176	5.2
129.07019	8.9
130.07790	4.2
131.04919	13.3
131.08574	27.9
133.10143	36.1
134.03641	6.2
135.04401	4.3
135.08066	34.3
135.11702	41.0
137.05983	7.1
137.09604	9.4
137.13295	3.3
139.07510	14.2
139.11197	10.9
143.08553	5.9
144.05705	2.5
145.01782	1.9
145.02789	9.4
145.06490	12.8
145.10121	37.0
147.04407	4.1
147.08043	3.9
147.11690	45.2
148.05156	7.2
149.05989	54.2
149.09621	40.0
149.13261	27.5
151.03996	2.7
151.07507	3.2
151.11183	34.1
153.05486	6.8
153.06984	2.6
153.09111	22.4
153.12762	6.6
155.08556	19.2
158.10904	3.3
159.04367	2.5
161.09634	6.9
163.03850	3.8
163.07568	12.3
163.11183	33.1
163.14839	13.4
163.97728	3.0
165.05467	2.9
165.09120	2.0
165.12730	7.4
166.06245	3.3
167.07072	17.4
167.14326	27.5
173.09656	28.4
173.13274	30.8
176.04720	2.8
176.12041	3.0
177.05496	39.7
181.04977	3.3
181.08577	13.0
181.12259	5.8
181.98756	2.2
185.11858	2.5
191.07071	16.3
191.08707	2.0
191.10698	16.1
191.14311	100.0
194.05836	4.4
209.04422	12.1
209.08098	39.8
209.09703	3.0
209.11746	19.3
209.15372	89.2
209.18906	6.0
216.83795	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
53.03942	2.3
55.01876	49.2
55.05516	19.7
57.03425	3.7
57.06824	0.8
57.07079	9.3
59.05001	3.9
65.03935	3.5
67.05508	41.8
69.03415	3.1
69.07068	12.3
70.09684	1.9
70.10106	2.8
71.04999	7.4
73.02884	1.6
73.06564	0.9
79.05500	30.9
80.19103	0.8
81.03432	4.7
81.07063	35.1
83.04987	97.5
83.08209	1.0
83.08627	11.6
85.02910	4.9
85.06544	4.3
89.03910	0.9
91.05486	22.9
91.95062	0.9
93.03383	3.1
93.07051	44.9
94.07389	0.8
95.04980	11.6
95.08609	16.4
97.02884	1.7
97.06541	22.6
97.10177	1.1
98.21408	1.2
99.04478	9.4
99.08093	4.4
101.02351	1.5
103.05483	5.8
105.07039	9.4
106.04144	3.9
107.04971	9.7
107.08604	25.1
109.06535	8.7
109.10167	11.3
111.04451	100.0
111.08091	37.2
117.03404	1.1
117.07028	8.8
119.04915	1.1
119.08585	10.2
121.06499	12.2
121.10154	19.9
123.04472	1.0
123.08040	2.2
123.09183	2.7
125.05998	13.5
125.09610	3.6
129.05492	9.5
129.06966	3.9
130.72931	0.8
131.04901	2.3
131.08588	11.7
132.05750	0.9
133.10118	3.6
134.03650	1.3
135.04428	0.9
135.08078	7.9
135.10683	1.6
135.11702	29.3
137.09615	1.5
139.07529	3.4
139.11131	0.8
143.08607	1.2
145.02829	2.6
145.10132	21.9
147.04466	1.2
147.08063	2.2
147.11647	3.5
149.06006	10.8
149.09639	13.0
149.13248	2.3
151.07544	0.9
151.11191	4.0
153.05515	1.9
153.09109	3.7
153.12753	43.3
155.08522	3.3
163.03819	1.4
163.07500	1.9
163.11203	38.4
163.14833	1.3
167.02592	1.3
167.07040	1.4
167.14305	3.2
168.07790	0.8
173.09651	10.8
173.13217	3.0
177.05487	10.8
181.08623	2.1
181.12245	25.0
191.07018	3.3
191.10687	29.2
191.14270	4.8
209.04436	3.8
209.08205	5.1
209.11708	33.7
209.15196	18.8
209.18355	1.1
211.04813	0.8
226.05006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79853	0.6
53.03944	0.9
53.92408	0.7
55.01857	3.2
55.05301	0.6
55.05511	7.4
55.86330	0.6
56.96553	1.1
57.07071	1.9
59.04993	1.6
65.03934	1.7
67.05503	5.7
69.03428	7.9
69.07072	6.8
71.04996	4.7
71.57368	1.2
78.04734	0.9
78.59361	0.7
79.05486	6.7
81.03392	3.2
81.07053	12.8
83.04986	7.7
83.08602	2.2
85.06544	1.3
91.05481	13.4
93.03400	1.4
93.07037	9.0
95.04972	30.4
95.08605	12.3
97.06530	4.0
99.04459	5.6
99.08073	2.1
102.33397	0.7
103.05452	4.0
105.07035	11.3
106.04166	1.9
107.04953	9.8
107.07860	1.5
107.08593	25.8
109.06526	14.2
109.10143	10.1
111.04443	2.3
111.08064	2.6
115.05463	3.6
117.07030	4.6
119.04970	4.9
119.08594	6.6
121.06502	16.2
121.10147	23.1
122.07267	2.7
123.04430	2.1
123.08070	7.7
123.11725	3.6
125.05973	2.5
125.09634	5.6
131.04947	2.4
131.08554	4.5
132.05695	0.9
133.02849	3.6
133.06503	3.9
133.10133	43.1
134.07243	1.6
135.04401	2.0
135.08051	21.5
135.11700	4.7
136.05161	4.1
137.06007	3.5
137.09616	30.1
138.06738	1.8
139.07527	2.2
139.11154	1.9
145.06470	2.9
145.07556	0.7
145.10129	2.1
146.07263	2.9
147.04420	10.7
147.08011	7.9
147.11714	5.0
148.05214	5.5
148.08876	1.1
149.05978	8.8
149.09615	10.6
149.13263	15.0
151.03885	1.5
151.07556	13.7
151.11189	36.8
152.08246	1.0
152.11548	0.8
153.05455	8.2
153.08029	1.0
153.09116	7.9
154.06218	1.7
155.83797	0.7
158.10878	2.0
161.05957	2.8
162.06767	9.4
163.07550	16.0
163.11218	1.3
163.14828	4.9
164.08302	1.9
165.05482	9.2
165.12764	18.6
166.06270	13.5
167.07053	5.9
167.10692	1.2
167.14336	2.4
168.07823	20.0
169.08530	0.8
173.13269	11.3
176.04735	0.8
177.05482	4.3
177.09109	9.1
178.09892	39.9
179.07033	18.9
179.10509	1.6
181.08597	54.2
191.07117	0.7
191.14301	21.5
194.09380	42.9
209.04538	1.5
209.08113	8.0
209.11734	100.0
209.15242	22.8
210.12038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
50.79853	0.6
53.03944	0.9
53.92408	0.7
55.01857	3.2
55.05301	0.6
55.05511	7.4
55.86330	0.6
56.96553	1.1
57.07071	1.9
59.04993	1.6
65.03934	1.7
67.05503	5.7
69.03428	7.9
69.07072	6.8
71.04996	4.7
71.57368	1.2
78.04734	0.9
78.59361	0.7
79.05486	6.7
81.03392	3.2
81.07053	12.8
83.04986	7.7
83.08602	2.2
85.06544	1.3
91.05481	13.4
93.03400	1.4
93.07037	9.0
95.04972	30.4
95.08605	12.3
97.06530	4.0
99.04459	5.6
99.08073	2.1
102.33397	0.7
103.05452	4.0
105.07035	11.3
106.04166	1.9
107.04953	9.8
107.07860	1.5
107.08593	25.8
109.06526	14.2
109.10143	10.1
111.04443	2.3
111.08064	2.6
115.05463	3.6
117.07030	4.6
119.04970	4.9
119.08594	6.6
121.06502	16.2
121.10147	23.1
122.07267	2.7
123.04430	2.1
123.08070	7.7
123.11725	3.6
125.05973	2.5
125.09634	5.6
131.04947	2.4
131.08554	4.5
132.05695	0.9
133.02849	3.6
133.06503	3.9
133.10133	43.1
134.07243	1.6
135.04401	2.0
135.08051	21.5
135.11700	4.7
136.05161	4.1
137.06007	3.5
137.09616	30.1
138.06738	1.8
139.07527	2.2
139.11154	1.9
145.06470	2.9
145.07556	0.7
145.10129	2.1
146.07263	2.9
147.04420	10.7
147.08011	7.9
147.11714	5.0
148.05214	5.5
148.08876	1.1
149.05978	8.8
149.09615	10.6
149.13263	15.0
151.03885	1.5
151.07556	13.7
151.11189	36.8
152.08246	1.0
152.11548	0.8
153.05455	8.2
153.08029	1.0
153.09116	7.9
154.06218	1.7
155.83797	0.7
158.10878	2.0
161.05957	2.8
162.06767	9.4
163.07550	16.0
163.11218	1.3
163.14828	4.9
164.08302	1.9
165.05482	9.2
165.12764	18.6
166.06270	13.5
167.07053	5.9
167.10692	1.2
167.14336	2.4
168.07823	20.0
169.08530	0.8
173.13269	11.3
176.04735	0.8
177.05482	4.3
177.09109	9.1
178.09892	39.9
179.07033	18.9
179.10509	1.6
181.08597	54.2
191.07117	0.7
191.14301	21.5
194.09380	42.9
209.04538	1.5
209.08113	8.0
209.11734	100.0
209.15242	22.8
210.12038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	6.1
55.05508	9.6
67.05506	28.2
67.65413	1.3
69.07059	5.8
70.01057	6.9
73.06557	1.3
76.41052	1.3
77.03959	1.9
79.05495	53.6
79.05970	2.5
81.07056	23.6
83.04987	3.4
83.08615	4.4
85.06554	2.8
91.05483	50.4
91.97677	1.1
92.13825	1.3
93.07043	100.0
95.04964	19.8
95.08602	10.4
97.06520	1.5
97.10178	2.3
98.21371	1.4
103.05444	1.4
105.04554	2.4
105.07025	30.1
107.04988	1.4
107.08585	12.0
109.06528	5.7
109.10104	2.0
111.08115	1.3
114.85034	1.1
116.04079	1.2
117.06991	5.9
119.04931	3.1
119.08578	14.6
121.06487	3.1
121.10149	2.3
123.08031	3.5
129.06998	11.9
131.08546	2.2
133.10120	5.6
143.08571	5.6
145.10104	7.7
147.04417	4.5
147.08148	1.2
147.11696	49.8
149.02379	3.0
151.07568	1.5
156.09279	1.5
161.09641	5.3
161.13289	7.4
164.04680	2.8
171.11688	23.8
179.06975	2.3
189.12759	10.5
207.06519	10.1
207.13794	30.9
213.39342	1.4
217.22177	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
54.11251	2.4
55.01867	9.4
55.05511	61.0
57.03424	4.5
57.05811	3.7
57.07068	5.1
57.58179	2.3
57.64021	2.0
59.05008	4.7
59.06121	4.6
60.04526	6.0
65.03940	4.6
67.05505	14.1
69.03407	7.4
69.04539	6.6
69.07058	12.8
70.00487	9.2
70.06590	4.9
71.04983	7.7
71.06113	5.5
79.05494	15.2
80.05005	2.9
81.03416	3.8
81.07061	16.6
83.04980	56.1
83.06073	4.0
83.08620	39.0
83.52478	2.5
84.04499	5.3
85.06564	3.6
88.96286	2.0
89.06041	4.1
91.05488	20.9
92.05013	5.6
93.03386	3.2
93.05785	2.7
93.07040	38.6
94.06557	10.4
95.04970	74.4
95.08617	14.7
96.04529	3.2
97.02892	4.4
97.06538	6.4
97.10177	8.9
99.04451	14.2
103.05453	7.2
104.04997	6.1
105.03374	3.0
105.04546	2.9
105.07014	13.9
106.06547	2.9
107.04956	3.9
107.08593	48.2
108.08125	5.3
109.02884	3.9
109.05282	3.1
109.06515	17.6
109.10151	23.2
110.06063	6.3
111.04473	13.6
111.08094	11.0
115.07555	2.2
118.06522	12.1
119.04951	6.2
119.06079	3.8
119.08614	5.6
119.70715	2.1
120.04424	6.2
120.08138	4.3
121.02887	3.1
121.06482	9.5
121.07613	3.3
121.10146	100.0
122.06025	7.6
123.04436	42.7
123.08080	6.6
123.11715	9.5
124.03957	3.0
125.09611	12.3
126.05524	6.1
128.04927	2.6
131.04906	4.6
131.08589	4.5
132.04456	10.0
133.10129	9.6
135.04420	3.7
135.06873	3.9
135.08083	4.9
135.09074	4.3
135.11702	5.5
136.07590	18.7
137.06004	5.7
138.05481	6.2
139.03867	3.1
145.02869	2.6
145.07613	20.8
145.10147	3.8
146.06012	25.0
147.04375	8.1
147.05435	3.2
148.03947	9.2
148.06369	2.9
148.07507	2.7
149.04912	3.2
149.05980	13.9
149.07114	9.0
149.09569	5.8
149.13280	10.9
150.05513	7.6
151.06342	3.4
151.11186	45.5
153.05493	3.3
153.09097	18.8
163.03844	3.2
163.05070	2.8
163.07558	3.3
163.08696	22.1
163.11238	4.9
163.14815	21.0
164.07079	18.9
165.01732	2.9
165.05414	3.9
165.71936	2.5
167.03481	2.4
167.14317	57.2
167.82230	2.1
173.07112	15.8
173.13220	8.9
174.05508	7.0
177.05463	15.7
181.04919	7.7
182.08070	4.7
191.08194	20.5
191.14346	18.8
192.02908	4.9
192.06560	15.0
209.04471	9.2
209.09460	38.1
209.15373	71.9
210.15872	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01866	2.3
55.05516	5.6
57.03452	1.3
57.07072	2.3
59.05001	2.1
60.85578	0.9
65.03945	1.5
67.05495	7.8
69.03437	10.2
69.07072	5.4
70.93748	2.8
71.04982	3.7
79.05478	6.3
81.07056	10.9
83.04977	4.7
83.06094	1.0
83.08631	1.4
85.02908	15.0
85.03379	1.8
85.06532	4.0
91.05486	18.6
93.07040	7.7
94.79434	0.9
95.04989	5.2
95.08045	1.6
95.08615	17.6
97.06506	1.7
98.97573	3.6
99.01288	1.0
99.04424	2.0
103.05435	1.7
105.07038	35.1
107.04968	4.1
107.08594	13.5
109.06525	26.6
109.10165	3.4
115.05459	3.3
116.98636	2.7
117.07012	4.2
118.04179	2.0
118.91227	1.1
119.04965	7.6
119.08588	45.5
121.06500	5.0
121.10152	20.7
123.04404	1.5
123.08077	14.8
123.11701	7.7
125.06030	1.1
125.09537	1.4
128.06218	4.0
129.06992	5.7
130.07758	4.2
131.04932	1.8
131.08583	10.2
133.06509	7.6
133.10143	20.0
135.08086	2.1
135.11688	4.5
136.03943	4.0
137.05930	1.8
137.09619	7.6
137.13301	1.2
141.06963	2.9
142.07773	1.2
143.08563	4.5
145.06555	2.3
145.10143	12.1
146.03622	1.7
146.07249	2.8
146.10905	4.1
147.04420	6.7
147.08058	11.4
147.11691	54.5
148.05258	2.5
149.02382	2.1
149.09624	10.6
151.07532	7.7
151.14854	1.1
156.09338	10.7
157.06541	1.9
158.99593	1.0
159.08107	4.8
160.08847	2.0
161.05994	33.9
161.09647	11.5
161.13264	58.8
163.07597	1.6
163.11206	7.5
164.04666	2.2
165.09120	1.8
165.12747	3.3
171.11673	6.3
174.06781	3.0
174.10388	8.3
175.03906	3.1
177.00757	2.7
179.07025	2.1
180.06670	2.4
189.09132	17.5
189.12758	59.2
192.04184	2.1
207.06438	10.8
207.10194	4.3
207.13817	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03946	6.6
55.01865	2.3
55.05513	9.1
65.03936	1.6
67.05507	30.6
69.07069	7.2
71.04980	2.0
71.11598	1.6
71.11977	2.0
72.42541	0.9
73.06560	1.5
77.58173	0.9
79.05496	52.0
81.03421	1.6
81.07057	24.2
83.04973	3.0
83.08595	3.2
85.06538	3.3
85.30001	1.1
91.05486	50.0
93.07048	100.0
95.04979	16.8
95.08609	9.0
97.06509	1.7
97.10156	1.7
105.04539	2.4
105.07035	26.2
107.08609	12.7
107.29821	1.0
109.06512	3.4
111.08035	1.2
111.16656	1.1
115.05444	1.2
117.07022	5.0
119.04912	2.0
119.08591	13.3
121.06497	2.1
121.10138	2.3
123.08062	3.8
127.07568	2.6
129.07002	9.4
133.10139	5.4
143.08559	6.5
145.10118	8.0
147.04391	1.2
147.08130	1.3
147.11696	55.0
151.07585	1.1
154.08408	1.1
157.16013	0.9
161.09625	4.2
161.13283	10.1
164.04721	1.1
171.11703	25.1
174.03023	1.2
179.07080	1.7
189.12753	11.1
207.06564	4.1
207.13815	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01856	4.9
55.05498	9.4
57.07070	4.9
59.05007	3.5
67.05510	30.4
69.03429	18.3
69.07052	5.0
70.95537	8.6
71.04989	5.4
79.05478	10.9
79.24472	3.0
79.86501	2.9
81.03396	3.5
81.07047	12.4
83.04962	7.7
85.02898	41.5
85.06522	9.1
89.03937	3.0
91.05492	36.2
93.07053	18.6
95.04947	12.0
95.08608	97.6
96.65749	2.9
97.06528	2.9
103.05463	7.6
105.07024	41.3
107.08602	20.4
109.06497	9.8
109.10148	10.9
110.06007	3.2
113.05978	7.7
119.04958	24.0
119.06841	4.4
119.08597	48.6
120.08118	15.0
121.06497	7.4
121.08452	20.9
121.10123	26.1
123.08071	49.9
123.11729	24.5
125.05992	3.6
128.06219	3.7
129.06998	9.6
131.03561	3.4
131.08549	12.6
133.06508	8.0
133.10115	14.3
135.08073	5.3
135.11665	5.8
137.09673	6.8
143.00023	3.1
143.08548	8.5
145.06531	3.5
145.10115	9.9
146.03633	3.8
147.04388	26.5
147.06297	5.9
147.08034	15.8
147.11702	51.2
147.12811	5.9
149.02289	4.5
149.09630	49.9
151.07510	12.8
156.09369	11.3
159.08089	7.0
161.05980	48.5
161.09642	14.2
161.13277	23.6
163.07635	3.4
163.11168	12.3
164.04721	5.7
165.05469	4.5
165.09065	5.6
165.12778	14.4
171.11693	11.6
174.10411	7.7
175.03899	19.6
176.08289	4.4
179.07047	7.4
189.07486	6.0
189.09090	18.4
189.12746	51.3
192.04140	8.5
196.06743	5.6
207.06526	41.1
207.10191	19.3
207.13805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0765
Annotation	Phyllurine
Peak:m/z	Relative Intensity
53.03952	2.3
55.01869	4.8
55.05516	3.7
57.03430	2.4
57.07065	3.2
57.29452	1.5
58.06601	1.9
59.06114	2.7
60.04524	8.7
65.03944	9.5
67.05500	9.8
68.05006	1.6
69.03428	11.0
69.04544	1.9
69.07069	4.3
70.06609	2.1
71.04986	6.3
71.33134	3.5
76.14588	1.5
79.05491	13.7
80.05016	3.3
81.03409	6.1
81.04550	1.7
81.07062	11.1
82.06550	2.6
83.04984	5.4
83.06100	4.9
83.08638	1.7
84.04506	2.7
85.02905	6.3
85.06549	1.8
89.03894	1.7
91.05483	22.3
92.04998	10.0
93.03399	2.6
93.05791	2.6
93.07028	10.3
94.06576	2.6
95.04967	14.2
95.08611	17.4
96.04484	2.5
97.02885	3.3
97.06544	2.3
103.05506	2.4
104.04979	2.5
105.07034	17.8
106.06560	9.6
107.04958	12.1
107.06052	1.5
107.08604	9.6
108.04496	3.5
109.02891	5.1
109.05256	24.4
109.06445	8.2
109.07664	3.6
109.10159	5.7
110.06043	74.5
111.04436	12.7
115.05441	2.5
116.04963	8.2
117.07008	4.9
118.06526	4.9
119.04967	8.2
119.06059	7.9
119.08575	23.6
120.04477	12.0
120.05267	2.2
120.08103	3.1
121.02897	16.5
121.03769	2.4
121.05261	2.4
121.06493	6.7
121.10136	8.1
122.06026	6.8
123.04420	10.6
123.08062	12.3
123.09153	2.5
123.11713	3.9
124.07561	2.9
128.06187	2.0
129.07034	2.3
131.04944	4.2
131.08571	4.3
132.04474	6.7
133.05360	2.4
133.06499	6.2
133.07620	13.5
133.10158	9.9
134.06020	24.4
135.04427	15.6
135.05450	3.1
135.06656	1.8
135.08069	2.0
135.11737	2.1
136.03917	4.1
136.07576	3.1
137.06033	2.3
137.07071	2.0
137.09630	8.2
138.05502	100.0
139.03879	4.0
143.06033	6.4
143.08458	3.6
144.04433	5.2
144.08127	1.8
145.06519	2.5
145.07594	2.3
145.10107	2.5
146.03610	2.8
146.06055	7.4
147.04396	9.9
147.05533	43.5
147.08057	8.9
147.11707	13.7
148.03926	21.9
148.07570	4.2
148.08661	2.7
149.02345	2.0
149.04765	4.2
149.06024	4.2
149.07182	2.6
149.08601	1.9
149.09622	13.8
150.05530	3.1
151.06261	7.8
151.07547	8.1
151.08641	3.0
152.07054	10.8
153.05400	2.0
156.09393	3.4
159.05515	3.5
159.11765	1.9
161.05971	6.2
161.07120	29.3
161.09628	5.9
161.13271	13.1
162.05498	33.3
162.09105	2.9
163.03897	10.3
163.05084	2.9
163.07507	3.8
164.03430	3.2
164.05818	1.7
164.07094	4.2
165.06606	69.6
165.09085	3.5
165.12762	5.8
166.05014	2.7
166.66479	1.9
167.05797	5.0
171.05510	8.4
171.11707	3.8
172.03949	8.5
173.07094	2.3
174.07878	3.9
174.10379	2.5
174.55348	1.8
175.03888	2.8
177.06581	3.3
179.05455	1.9
179.06967	3.8
179.08322	3.8
180.06549	56.4
189.05208	2.1
189.06654	37.8
189.08974	3.2
189.10367	3.3
189.12730	15.9
189.16370	3.8
190.04988	15.8
190.07243	3.4
190.08714	3.7
207.02921	3.2
207.07828	66.5
207.09979	5.8
207.11644	4.9
207.13826	28.7
207.17355	8.5
208.06093	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
55.01869	4.8
55.05516	3.7
57.03430	2.4
57.07065	3.2
57.29452	1.5
58.06601	1.9
59.06114	2.7
60.04524	8.7
65.03944	9.5
67.05500	9.8
68.05006	1.6
69.03428	11.0
69.04544	1.9
69.07069	4.3
70.06609	2.1
71.04986	6.3
71.33134	3.5
76.14588	1.5
79.05491	13.7
80.05016	3.3
81.03409	6.1
81.04550	1.7
81.07062	11.1
82.06550	2.6
83.04984	5.4
83.06100	4.9
83.08638	1.7
84.04506	2.7
85.02905	6.3
85.06549	1.8
89.03894	1.7
91.05483	22.3
92.04998	10.0
93.03399	2.6
93.05791	2.6
93.07028	10.3
94.06576	2.6
95.04967	14.2
95.08611	17.4
96.04484	2.5
97.02885	3.3
97.06544	2.3
103.05506	2.4
104.04979	2.5
105.07034	17.8
106.06560	9.6
107.04958	12.1
107.06052	1.5
107.08604	9.6
108.04496	3.5
109.02891	5.1
109.05256	24.4
109.06445	8.2
109.07664	3.6
109.10159	5.7
110.06043	74.5
111.04436	12.7
115.05441	2.5
116.04963	8.2
117.07008	4.9
118.06526	4.9
119.04967	8.2
119.06059	7.9
119.08575	23.6
120.04477	12.0
120.05267	2.2
120.08103	3.1
121.02897	16.5
121.03769	2.4
121.05261	2.4
121.06493	6.7
121.10136	8.1
122.06026	6.8
123.04420	10.6
123.08062	12.3
123.09153	2.5
123.11713	3.9
124.07561	2.9
128.06187	2.0
129.07034	2.3
131.04944	4.2
131.08571	4.3
132.04474	6.7
133.05360	2.4
133.06499	6.2
133.07620	13.5
133.10158	9.9
134.06020	24.4
135.04427	15.6
135.05450	3.1
135.06656	1.8
135.08069	2.0
135.11737	2.1
136.03917	4.1
136.07576	3.1
137.06033	2.3
137.07071	2.0
137.09630	8.2
138.05502	100.0
139.03879	4.0
143.06033	6.4
143.08458	3.6
144.04433	5.2
144.08127	1.8
145.06519	2.5
145.07594	2.3
145.10107	2.5
146.03610	2.8
146.06055	7.4
147.04396	9.9
147.05533	43.5
147.08057	8.9
147.11707	13.7
148.03926	21.9
148.07570	4.2
148.08661	2.7
149.02345	2.0
149.04765	4.2
149.06024	4.2
149.07182	2.6
149.08601	1.9
149.09622	13.8
150.05530	3.1
151.06261	7.8
151.07547	8.1
151.08641	3.0
152.07054	10.8
153.05400	2.0
156.09393	3.4
159.05515	3.5
159.11765	1.9
161.05971	6.2
161.07120	29.3
161.09628	5.9
161.13271	13.1
162.05498	33.3
162.09105	2.9
163.03897	10.3
163.05084	2.9
163.07507	3.8
164.03430	3.2
164.05818	1.7
164.07094	4.2
165.06606	69.6
165.09085	3.5
165.12762	5.8
166.05014	2.7
166.66479	1.9
167.05797	5.0
171.05510	8.4
171.11707	3.8
172.03949	8.5
173.07094	2.3
174.07878	3.9
174.10379	2.5
174.55348	1.8
175.03888	2.8
177.06581	3.3
179.05455	1.9
179.06967	3.8
179.08322	3.8
180.06549	56.4
189.05208	2.1
189.06654	37.8
189.08974	3.2
189.10367	3.3
189.12730	15.9
189.16370	3.8
190.04988	15.8
190.07243	3.4
190.08714	3.7
207.02921	3.2
207.07828	66.5
207.09979	5.8
207.11644	4.9
207.13826	28.7
207.17355	8.5
208.06093	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01870	9.1
55.05505	9.6
56.05038	35.1
56.96579	4.7
57.03440	21.1
58.06599	23.4
58.62661	2.8
59.04993	4.4
60.04535	18.9
60.05642	14.7
60.12145	2.8
60.78978	3.2
61.02917	12.3
65.03916	3.7
67.05499	9.1
68.05030	12.8
68.58302	3.1
69.03429	15.0
69.07066	3.9
69.97125	3.2
69.97532	3.5
70.06587	13.7
71.01356	5.1
71.04992	8.1
71.15492	9.6
72.08160	4.2
73.02897	10.8
74.02452	6.0
74.06078	7.1
79.05483	5.7
80.05029	7.7
81.03413	14.5
81.07029	6.2
82.03850	3.3
82.06566	14.3
83.01331	5.3
83.04972	21.7
84.04508	98.6
84.08118	4.9
85.02903	31.5
85.08484	5.5
87.04480	6.9
88.02219	4.5
88.03974	5.7
93.07069	5.1
94.06610	3.7
96.08138	81.4
97.02873	9.6
98.03224	3.6
98.06075	4.8
98.07198	3.7
99.00813	4.4
100.07613	34.8
101.02378	14.4
101.06027	30.9
101.07955	11.6
102.05536	9.0
105.07031	6.5
107.01825	4.0
109.02874	7.5
110.03196	3.4
110.06055	4.7
114.03770	28.2
114.05569	7.2
115.03934	16.3
116.05279	4.6
116.08231	9.1
116.98684	4.7
119.01862	9.6
121.01640	4.1
122.02298	3.5
122.05985	5.2
124.07611	53.9
127.03906	5.7
128.07088	9.3
129.01830	10.9
129.05466	7.4
129.07390	5.4
131.01820	4.2
136.38914	3.6
142.05006	7.3
142.08640	100.0
142.09753	6.3
143.03432	5.2
143.96146	3.3
146.04515	6.3
146.08121	64.4
146.99689	4.3
147.02864	5.0
149.01253	3.5
149.02328	7.9
150.02676	19.7
157.01399	12.4
159.07666	4.1
160.04288	75.0
160.05847	4.1
160.09692	71.0
160.10852	5.6
161.05936	3.2
163.02661	4.4
165.00650	4.2
170.08141	68.0
178.04994	67.9
188.05588	5.8
188.09183	46.1
189.03986	4.4
191.14310	12.0
206.04578	46.0
206.08305	8.9
206.10132	70.0
206.13341	14.8
206.15268	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	206.0813
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
53.03921	0.4
55.05523	0.3
56.96558	0.4
57.07070	0.4
67.05530	0.5
67.59208	0.3
68.99784	0.5
69.03426	0.6
69.41562	1.1
69.41990	1.6
70.02946	1.0
70.06573	1.0
79.05479	0.4
81.03415	0.9
85.02899	0.9
87.00833	2.3
88.02219	0.4
91.05476	3.4
93.07043	3.0
94.06592	0.3
95.04960	0.7
95.08601	0.7
103.05465	12.9
103.06144	0.7
105.07047	0.9
107.04985	0.4
107.08607	0.6
108.04488	0.4
108.08151	0.4
116.05265	0.4
118.06544	15.7
119.01950	0.4
119.04955	1.0
119.08600	0.9
120.08107	100.0
121.06503	0.4
121.08471	0.7
123.08028	0.6
124.41612	0.3
125.87631	0.3
128.04961	1.4
133.06512	1.0
142.03471	0.4
146.03552	0.4
146.06012	13.1
147.04410	1.5
147.11693	0.4
149.02373	0.9
149.09633	0.5
150.02687	1.6
151.07512	0.4
160.07544	0.5
161.05966	2.4
163.03839	0.3
163.07460	0.3
164.07104	0.7
175.03877	0.8
176.08286	0.4
177.00809	0.4
178.04990	1.0
179.07014	0.6
188.07042	12.8
189.05467	0.5
189.07549	0.4
189.12799	0.5
191.14316	0.5
192.04256	0.6
206.04321	0.7
206.08060	9.9
206.11951	1.3
206.18959	0.4
207.06526	1.4
207.10272	0.8
207.13850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Doryphornine
Peak:m/z	Relative Intensity
50.84092	0.4
52.43275	0.4
53.03959	0.5
54.03467	0.9
55.01870	0.5
56.44447	0.4
56.96565	0.5
60.04513	0.5
65.03954	2.5
67.05506	19.4
69.03437	0.7
69.07076	0.9
70.06603	0.7
70.15167	2.2
72.04581	0.5
72.51137	0.4
78.24340	0.4
79.05489	4.9
80.05047	1.2
81.03438	0.9
81.07070	3.0
82.02927	2.1
82.06602	0.7
84.04520	2.1
85.02936	0.6
91.05494	2.7
92.03982	0.4
93.05816	1.1
93.07054	1.0
94.06587	1.7
95.04972	15.2
95.08593	0.8
96.04495	4.4
96.05770	1.1
97.02919	1.3
97.06563	0.5
98.97596	1.8
103.05470	0.7
105.07056	2.1
106.06561	1.3
107.07349	5.0
107.08618	1.6
108.08121	17.8
109.06557	0.4
110.02470	0.5
110.06059	7.1
115.05454	0.5
116.98615	1.1
118.06549	1.4
119.04960	0.6
119.08562	0.7
120.08108	4.0
121.05361	0.5
121.08886	0.4
121.22476	0.4
122.06048	1.5
122.09675	6.7
123.06422	0.5
125.06020	0.6
132.08107	1.0
133.06528	1.1
133.10181	0.6
134.06030	1.1
135.06822	1.4
135.11708	1.2
136.07573	0.8
146.99780	0.4
147.04430	0.7
148.07578	0.8
149.02347	0.7
150.02675	0.9
150.09143	33.5
158.99664	0.6
161.06035	0.7
162.73909	0.4
164.04396	0.6
165.05476	0.6
170.60747	0.4
176.08031	0.6
177.00755	1.4
178.08635	100.0
179.07013	0.8
179.08986	1.6
191.14333	1.3
206.08121	88.5
207.06543	1.9
207.08464	1.2
207.10237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
69.03432	0.2
69.89185	1.1
81.03409	0.2
84.24230	0.2
93.58260	0.2
94.23813	0.2
105.03403	0.7
132.04437	1.6
132.05298	0.2
133.02882	0.2
144.10162	0.2
150.02667	0.2
150.05510	1.7
160.04053	0.3
178.05003	100.0
179.05344	1.0
180.05444	0.3
206.04494	46.6
207.04813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70481	4.1
56.96563	12.4
60.05406	4.6
60.05648	54.4
68.05023	9.3
70.06573	12.8
71.47540	5.1
71.47884	6.7
72.05637	10.3
72.48198	4.6
73.06419	7.6
74.02428	7.3
74.06071	7.7
80.07228	4.3
83.06073	7.9
84.05624	4.1
98.07162	16.7
98.97546	5.5
99.05523	5.8
100.08738	10.0
101.00887	8.0
102.06645	10.5
103.02457	4.9
114.05521	6.0
116.08200	41.6
116.98609	6.7
119.01142	6.4
119.01924	83.6
119.03561	5.0
120.46371	4.6
121.97546	7.0
124.02479	4.6
125.08240	9.0
133.34598	4.5
137.02946	31.1
142.03497	100.0
146.09196	5.3
158.97209	9.6
159.98257	7.0
160.04556	45.0
161.02974	7.5
165.05089	5.2
171.49071	10.1
176.98282	11.9
180.49510	6.4
181.98816	7.0
183.06198	13.7
185.54822	4.1
200.00055	6.5
201.00569	14.5
201.02330	4.6
206.12538	6.2
207.10791	6.9
224.77231	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.54957	1.2
53.03939	1.5
55.01874	2.1
55.05506	11.4
56.96562	4.5
57.03431	2.1
57.07085	15.6
60.04512	4.8
61.04869	2.3
65.03931	4.1
65.83254	1.3
67.05511	16.6
69.03432	5.4
69.07069	37.2
69.50997	1.6
69.51403	10.2
73.02891	1.3
79.05503	14.6
81.03423	9.1
81.07058	46.3
81.49803	1.3
83.04953	2.0
83.08616	6.9
83.09064	1.4
84.04503	2.1
85.02917	8.5
85.04830	1.5
91.05479	11.3
93.03391	1.3
93.07048	54.5
95.04974	4.5
95.08616	39.3
97.02904	32.0
97.10171	6.6
98.03215	1.5
98.20731	1.7
99.04449	6.8
100.67576	1.2
105.07039	9.4
107.04953	3.9
107.08599	38.3
109.02886	22.4
109.06510	2.7
109.10159	29.3
111.04462	1.6
111.11724	3.3
113.28835	1.1
117.07011	3.0
119.01952	2.2
119.08586	7.3
121.02853	10.2
121.04031	2.1
121.06528	6.6
121.10151	40.8
123.08146	2.0
123.11713	22.4
127.03915	7.3
127.05894	2.4
131.08562	4.2
131.97420	2.3
133.06427	2.6
133.10132	4.3
135.08093	1.7
135.11700	48.9
137.02953	1.6
139.03903	2.1
141.07053	1.4
142.03531	4.9
144.05658	1.6
144.09338	1.6
145.06496	2.8
145.10153	7.1
147.08104	1.4
147.11739	2.6
149.02351	80.5
149.06010	2.4
149.13263	100.0
150.02693	3.9
150.13599	2.2
159.08061	2.1
159.11635	7.8
160.04521	1.6
161.13278	3.4
163.07462	1.5
163.11188	4.0
163.14838	9.2
167.03362	1.9
177.09100	1.6
177.12808	3.6
177.16356	2.4
187.11121	9.7
187.14751	3.0
191.14218	1.7
198.60599	1.4
205.04977	4.8
205.06853	1.7
205.08725	7.3
205.12341	14.4
205.14156	4.6
205.15846	10.3
205.19530	46.0
206.08151	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	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03939	1.3
55.01875	0.5
55.05512	5.2
56.96563	1.0
57.03472	0.5
57.07082	5.1
60.04520	1.1
60.09084	0.5
64.82688	0.6
65.03941	1.0
67.05513	4.4
69.03412	1.3
69.07075	10.6
69.89349	2.7
71.04974	0.6
71.08636	0.7
73.61187	0.4
77.03887	0.4
79.05502	7.8
81.03404	2.0
81.07066	39.8
83.08634	3.7
85.02906	1.9
91.05484	4.8
93.07053	35.2
94.07412	0.6
95.04984	1.5
95.08614	15.3
97.02901	5.9
97.10184	2.9
98.03253	0.5
98.20825	0.7
99.04464	1.0
103.05489	0.5
105.07037	5.0
107.04966	1.4
107.08603	19.3
109.02886	4.0
109.06553	0.8
109.10172	12.5
111.11741	1.0
115.05462	0.6
116.73804	0.5
117.07030	1.6
119.08609	2.2
121.02890	1.9
121.06522	2.1
121.10153	100.0
122.10497	1.2
123.08092	0.6
123.11725	5.1
127.03914	1.2
127.05918	0.7
131.08582	1.0
133.10170	0.8
135.11711	10.4
137.13255	0.7
145.06519	1.3
145.10146	1.7
149.02354	14.9
149.03491	1.0
149.09665	0.7
149.13272	26.3
151.54488	0.6
158.06000	0.7
159.08116	0.5
159.11708	2.2
161.09647	0.7
163.11259	0.8
163.14835	2.3
163.95163	0.5
173.06024	0.8
177.12730	0.7
178.05031	0.7
181.83997	0.6
187.11240	1.2
187.14940	0.7
192.09114	0.6
205.05145	0.9
205.08766	1.8
205.12328	4.5
205.14191	1.0
205.15964	2.0
205.19525	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03937	1.8
53.85845	0.7
55.01865	0.8
55.05513	6.7
57.07079	7.1
60.04525	1.1
65.03946	1.7
65.12371	0.8
67.05511	6.0
67.61806	0.7
69.03423	2.7
69.07071	12.0
69.36915	1.4
69.37319	6.4
71.08655	0.7
71.88449	0.7
72.93804	0.8
73.02931	0.8
79.05499	10.0
81.03419	3.7
81.07062	42.9
82.07360	0.7
83.08622	6.3
84.04497	1.1
85.02898	2.9
90.81356	0.6
91.05478	5.4
93.07046	39.0
95.04961	1.6
95.08613	19.8
96.81937	0.8
97.02902	13.0
97.10175	3.6
98.21523	1.5
99.04448	3.0
105.07050	4.3
107.07867	1.2
107.08598	22.2
109.02888	8.7
109.06551	1.4
109.10164	17.6
111.11726	1.2
113.96412	1.5
119.08596	2.5
121.02872	2.5
121.06522	1.5
121.10152	100.0
122.10513	1.8
123.08048	1.4
123.11729	8.1
127.03912	2.7
127.05828	1.1
131.08632	1.3
131.97493	1.4
133.10155	0.9
135.11702	14.3
142.03513	1.0
145.10170	2.2
147.11670	1.1
149.02356	28.3
149.05978	1.0
149.09598	1.0
149.13271	37.3
150.02724	0.9
150.13593	1.0
154.99065	1.2
159.11729	2.1
161.13269	0.8
163.07455	0.7
163.11137	0.9
163.14885	2.2
163.98701	0.7
170.31038	0.7
177.12788	1.6
187.11139	1.5
187.14879	1.3
205.04973	1.4
205.08862	2.2
205.12427	4.2
205.14191	2.6
205.15968	3.0
205.19527	19.8
206.04489	0.7
206.08121	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03937	0.5
55.01849	0.4
55.05515	2.0
57.03426	0.3
57.07082	9.4
60.04510	0.6
65.03944	3.4
67.05519	1.6
69.03419	1.2
69.07074	3.5
69.83286	1.6
72.93777	0.5
79.05496	2.8
79.59766	0.3
81.03419	1.8
81.07065	11.0
83.08622	1.7
83.54208	0.3
85.02898	1.1
85.04820	0.4
91.05480	1.9
93.03397	1.6
93.07050	10.6
95.04977	0.4
95.08615	5.7
97.02900	6.6
97.10177	0.9
98.03220	0.4
99.04450	1.8
104.18256	0.3
105.07015	1.9
107.08607	6.4
109.02876	3.9
109.06487	0.4
109.10161	4.2
111.04448	1.2
111.11735	0.5
113.96429	1.0
116.05306	0.3
117.07041	0.7
119.08598	0.9
121.02882	11.2
121.03961	1.8
121.06496	1.1
121.10153	25.5
122.10520	0.3
123.08092	0.4
123.11721	3.3
127.03924	1.7
127.05887	0.7
131.08591	0.6
131.97424	2.2
133.10182	0.4
135.11705	4.8
145.06462	0.4
145.10150	1.0
147.11682	0.4
149.02354	100.0
149.13263	9.9
150.02689	3.1
154.99011	0.9
159.11681	0.9
161.13327	0.4
163.07642	0.3
163.11179	0.5
163.14856	1.0
167.03439	2.5
177.12782	0.8
187.11211	1.4
190.04967	2.3
191.14316	4.3
205.04842	0.7
205.08762	0.9
205.12404	2.4
205.14206	0.8
205.15944	1.0
205.19551	6.4
206.08084	0.5
206.11984	0.4
225.67917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
Peak:m/z	Relative Intensity
50.00922	0.6
53.03938	1.7
55.01871	1.3
55.05514	1.0
56.05038	4.6
57.03432	2.2
57.07086	0.9
58.06608	1.5
60.04527	100.0
61.02927	3.0
65.03944	1.0
66.90575	0.7
67.05501	1.0
68.05032	6.1
69.03426	6.3
70.02942	0.9
70.06599	4.1
71.01356	0.6
71.05006	1.5
71.13632	0.9
71.13950	0.9
72.04517	2.8
72.08150	0.8
73.02924	2.0
74.06075	1.3
79.05472	0.7
80.05032	1.3
81.03423	3.7
81.04563	0.6
82.02966	0.7
83.01357	1.8
83.04961	1.5
84.04509	14.8
85.02911	15.1
86.06072	3.3
87.15184	0.7
94.06568	1.4
95.04954	0.7
95.06106	0.7
96.04488	11.0
97.02895	20.4
98.06062	7.3
99.04453	4.2
100.03989	2.6
101.02345	1.8
102.05537	1.3
103.03922	1.1
105.07027	1.1
106.46046	0.7
107.04941	1.0
108.04526	0.7
109.02886	3.3
110.06038	5.4
111.04470	1.3
112.04020	1.0
112.07609	1.1
113.02340	1.0
114.05533	13.9
114.06288	1.3
115.03928	1.4
116.07085	1.1
117.05495	1.3
120.08913	0.9
120.97939	0.9
121.02861	0.8
121.96729	0.7
122.06029	2.5
124.04032	0.7
126.05523	19.5
127.03922	3.1
130.06569	1.3
132.04460	1.2
134.06001	1.3
138.05515	2.8
138.06566	0.6
140.07072	2.4
144.06578	5.5
145.04941	4.7
145.06557	0.7
146.05980	1.1
148.03954	2.1
148.07558	1.1
149.02353	6.1
149.07106	0.7
150.05461	1.1
156.06544	2.5
158.08162	2.5
159.05592	1.1
161.05995	0.8
162.03181	1.2
162.07620	1.8
163.05066	1.9
168.06532	4.3
173.05678	0.7
176.07076	1.6
186.07684	7.4
188.07126	0.8
188.10599	0.7
189.11476	1.7
204.06697	2.5
204.08696	41.2
204.13828	8.3
205.08754	0.7
205.12270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
50.56930	0.7
53.03945	1.4
55.01870	1.5
55.05511	4.8
57.06826	0.9
57.07083	13.4
57.33052	0.7
60.04529	1.4
62.08922	0.6
65.03951	5.4
67.05510	4.5
69.03426	2.2
69.07073	8.2
71.59071	1.1
72.93791	2.6
79.05499	5.4
81.03410	4.3
81.07061	20.8
83.08630	1.8
84.04511	1.2
85.02920	4.0
90.94778	0.9
91.05476	3.2
93.03412	1.6
93.07048	19.6
95.04983	1.0
95.08051	1.1
95.08615	14.1
97.02895	16.8
97.06557	1.0
97.10183	2.4
98.03216	1.3
99.04472	2.8
105.07037	2.9
107.08596	14.0
109.02902	10.7
109.10158	11.2
111.04422	1.3
111.11696	1.3
113.96411	5.1
117.07031	1.4
119.08591	2.5
121.02879	11.4
121.03772	1.2
121.03921	0.9
121.06516	2.0
121.10154	42.5
123.11718	6.7
127.03917	3.8
127.05887	1.9
131.08562	1.7
131.97440	6.5
133.10124	1.2
135.08110	0.7
135.11714	8.8
139.03906	1.4
144.09354	0.9
145.10138	2.8
147.11670	0.9
149.02354	100.0
149.09755	0.8
149.13271	17.9
150.02690	3.4
150.90012	0.7
154.99063	2.6
159.08064	1.2
159.11662	3.0
160.24379	0.7
161.13222	1.3
162.40907	0.7
163.11240	1.5
163.14842	1.8
167.03424	3.3
177.12724	2.1
187.11234	2.5
187.14822	0.8
190.05014	2.0
191.14262	1.3
205.04958	1.4
205.08797	1.8
205.12292	5.3
205.14156	3.0
205.15968	3.0
205.19540	13.7
206.08142	1.3
212.16684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03918	1.1
55.05523	7.3
57.03446	1.2
57.07066	4.7
60.04529	12.5
60.78255	0.9
67.05506	11.7
68.05017	3.1
69.03387	1.0
69.07076	15.2
70.06600	1.4
70.12363	3.7
71.08643	1.1
71.09019	1.1
79.05498	5.9
81.03436	1.4
81.06593	1.6
81.07063	26.1
83.08618	5.8
84.04060	1.2
84.04487	7.6
85.02894	2.3
91.05486	16.6
93.07059	11.8
95.04928	1.7
95.08609	40.0
96.04490	5.1
96.08943	1.2
97.02882	3.9
97.10175	1.8
98.06046	1.5
103.05395	1.3
105.07038	95.5
107.08598	18.2
109.09458	1.8
109.10162	27.9
110.06065	1.3
114.05510	3.7
117.07035	2.7
119.08588	48.0
120.37849	1.1
121.10147	15.6
123.11715	6.9
126.05516	8.7
131.08574	4.0
133.10138	42.9
135.11710	3.7
136.92609	1.2
143.08583	1.4
144.06621	1.5
145.10144	5.4
147.11699	77.7
150.05533	1.3
157.10132	2.7
159.11693	3.1
160.12444	1.4
161.13274	26.1
175.14847	12.4
185.13194	1.4
189.11589	1.5
197.99089	1.5
203.07008	2.4
203.10794	3.1
203.14340	6.5
203.17969	100.0
204.08644	8.6
204.13824	7.8
204.18324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05499	3.9
57.07060	1.9
60.04530	10.5
67.05509	12.7
68.05017	2.4
69.07072	6.6
69.29434	7.1
69.29861	3.6
75.20940	0.9
76.45002	1.0
79.05508	4.9
81.07067	23.6
82.81266	0.9
83.08626	2.5
83.46092	1.0
84.04512	6.1
85.02876	1.3
91.05470	8.4
93.07053	15.9
95.04938	1.0
95.08614	45.3
96.04493	3.5
97.02892	4.8
98.21486	2.4
105.07040	33.4
107.08609	29.2
109.06470	1.0
109.10158	31.3
114.05519	3.3
119.08588	30.1
121.10154	14.9
123.11710	7.6
126.05507	8.1
129.07021	1.7
131.01468	1.0
131.08578	1.2
133.10141	25.9
135.11665	3.2
138.05455	1.2
142.07848	1.2
143.08531	1.7
143.35313	1.2
144.06573	3.0
145.10144	3.4
147.08092	1.3
147.11700	40.7
157.10144	1.7
159.11743	2.3
161.09618	3.0
161.13278	14.8
168.06540	1.0
170.10817	1.2
175.13544	1.2
175.14844	7.4
185.09581	1.3
185.13319	1.2
186.07686	1.4
203.07045	2.9
203.10660	2.6
203.14665	6.1
203.17964	100.0
204.06911	1.3
204.08653	6.8
204.13866	4.9
204.18300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05517	11.6
56.96571	11.1
57.07081	7.4
57.07300	1.4
60.04530	17.0
67.05510	11.3
68.05012	1.9
69.07075	19.7
69.42770	7.3
69.43208	5.6
71.08626	1.6
77.80840	1.2
79.05507	8.7
81.07058	33.0
83.08594	5.8
84.04481	4.6
85.02924	1.8
91.05490	10.9
93.07040	13.8
95.04926	1.5
95.08613	40.1
96.04480	3.4
97.02898	3.9
97.10201	1.6
98.96342	1.5
99.04424	1.6
100.02470	1.5
103.05479	1.3
105.07037	100.0
107.04927	1.5
107.08592	15.8
109.06535	1.4
109.09454	2.3
109.10157	32.7
114.05511	3.9
117.07004	2.5
119.08588	52.9
120.76972	1.4
121.10143	15.5
123.11674	7.3
126.05531	7.1
129.07016	2.2
131.08546	4.7
133.06491	3.9
133.10135	64.1
135.11702	3.6
145.10143	6.5
147.08031	1.4
147.11693	68.2
157.10126	2.1
159.11723	3.5
160.12477	2.3
161.13280	22.7
175.07570	1.6
175.11319	1.7
175.14824	14.5
185.09737	1.5
185.13177	1.8
203.07024	3.6
203.10683	2.4
203.14320	9.7
203.17961	97.5
204.08566	7.2
204.13846	5.5
224.62544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.67300	0.6
55.01874	1.2
55.05513	2.2
56.96560	2.8
57.03424	1.9
60.04528	15.3
61.02934	1.7
62.98991	0.8
67.05512	1.0
68.05017	2.4
69.03419	2.1
69.07053	2.0
70.06593	88.3
70.24148	3.2
71.04991	2.4
71.06117	22.0
72.07743	1.1
72.08157	22.4
73.02914	2.1
79.05481	1.0
79.30656	0.8
81.03422	1.4
81.07053	1.4
83.04962	0.9
84.04507	3.6
84.08135	2.6
85.02920	4.3
86.09708	24.4
87.04480	1.0
88.08757	36.3
91.05484	1.2
95.04948	1.0
95.08602	1.1
96.04515	3.9
97.02890	6.2
98.06055	1.6
98.97574	3.8
99.04447	2.1
101.00879	2.5
102.96828	1.0
105.07015	1.9
110.06042	1.6
111.04446	1.0
112.07617	0.8
112.08729	1.8
112.11272	0.8
114.05529	3.7
115.08704	3.4
116.07095	37.0
116.98622	3.3
117.05542	1.0
119.01929	11.8
119.08604	1.3
120.01994	1.5
120.96543	1.0
120.97884	1.5
121.01648	1.0
126.05515	3.8
128.98605	0.9
130.06528	6.3
130.08611	1.3
133.09752	2.3
134.99646	1.8
137.02945	2.4
138.05531	1.6
138.98892	1.3
140.14352	1.3
143.01898	4.8
143.03452	1.6
144.06555	1.4
145.04880	0.9
146.99672	1.3
147.11732	1.5
148.03934	5.3
155.04665	1.0
157.07628	13.3
157.10085	1.1
158.08066	2.1
158.09273	5.7
158.12903	24.4
158.99603	1.3
161.02951	19.5
161.04353	1.1
161.09578	1.2
162.03087	1.6
172.10783	1.4
174.98563	0.9
175.07544	1.5
176.07077	1.0
177.00731	2.6
179.04037	1.2
184.04550	1.4
185.07127	1.0
185.10062	1.1
185.13399	0.9
186.07597	1.0
186.14825	2.0
191.05798	1.4
203.00798	1.7
203.05302	3.2
203.08315	9.8
203.15044	100.0
203.18063	2.5
204.06795	1.2
204.08681	5.6
222.00711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1504
Annotation	SDMA
Peak:m/z	Relative Intensity
52.80426	0.5
55.01865	1.7
55.05516	1.1
56.96565	3.9
57.03442	5.8
59.05003	3.8
60.04530	2.3
60.05651	1.0
61.02936	3.3
65.03348	0.4
67.05492	0.8
68.05038	0.5
69.03427	2.1
70.06593	91.6
70.31981	1.9
71.05009	3.3
71.06116	23.8
71.06933	1.0
72.08157	46.8
73.02924	2.1
74.06065	0.8
80.79177	0.4
81.03419	0.9
81.07050	1.0
83.04967	0.5
84.04482	0.8
84.08130	1.4
84.96005	0.4
85.02449	0.6
85.02896	3.7
85.06545	0.7
85.08481	0.7
86.09727	0.7
87.04466	1.3
88.08753	36.6
91.28550	0.4
95.04939	0.5
95.08601	1.0
97.02905	3.1
98.06065	1.2
98.09692	0.9
98.20803	0.6
98.97586	2.8
99.04436	0.9
99.15868	0.5
99.16592	0.5
100.04010	0.5
100.07635	0.8
101.00891	3.7
102.96871	0.6
105.07024	1.2
107.08620	0.7
109.10175	0.7
112.08717	1.7
114.05512	0.5
114.10370	0.5
115.08691	4.6
116.07094	38.6
116.98630	2.0
119.01930	12.6
119.08578	1.4
120.02038	2.0
121.01678	1.0
122.02345	0.9
126.05499	0.7
127.03882	0.9
128.07063	1.1
130.08659	0.8
131.00174	0.8
131.01892	1.1
131.96147	0.9
133.03467	6.4
133.09825	1.9
134.99657	1.5
137.02925	3.3
140.14345	8.3
142.03557	0.6
143.01886	2.3
143.03505	0.8
144.03426	0.5
145.03363	0.7
146.99631	0.7
147.11694	2.0
148.03889	1.1
149.01237	0.7
149.02953	1.5
151.04543	2.5
155.01840	0.6
158.09265	6.2
158.12894	26.4
158.99646	0.7
161.01169	0.6
161.01591	0.7
161.02960	8.0
161.13319	0.6
161.97261	0.6
162.03142	0.6
163.04533	0.6
171.02921	3.8
172.10805	2.4
173.03026	2.3
173.04353	0.6
174.04584	0.6
177.00749	0.7
179.03976	1.0
183.04097	0.5
185.02998	0.8
186.14896	7.7
191.04036	6.5
192.04581	0.6
195.01895	0.6
203.03935	2.1
203.05441	2.5
203.07590	1.7
203.15039	100.0
203.17693	4.0
204.08687	1.4
204.15323	1.1
221.05087	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1067
Annotation	Ligujapone
Peak:m/z	Relative Intensity
51.06113	1.0
53.63152	1.3
55.01860	1.8
55.05499	3.2
56.42616	1.1
56.96553	2.1
57.03421	1.0
57.07071	1.7
60.04525	22.9
62.19313	1.2
65.45573	1.0
65.90644	1.1
67.05491	4.4
68.05029	2.2
69.03413	1.8
69.07056	3.1
69.97341	6.6
70.06586	5.7
71.06125	1.8
72.08154	1.2
79.05490	4.5
81.03410	2.1
81.07049	4.7
84.04491	4.6
85.02894	4.9
85.06537	1.3
88.08765	2.0
91.05482	5.6
93.07025	3.7
95.04957	1.7
95.08605	8.6
96.04510	2.7
97.02892	3.1
97.06550	2.5
98.06016	1.2
98.97542	1.1
105.03399	1.4
105.06415	1.0
105.07044	14.7
107.04958	25.3
107.08572	3.7
109.02865	1.2
109.10157	5.3
111.04471	1.7
114.05534	2.8
115.03919	1.4
115.05451	9.8
116.07087	2.1
116.98621	1.1
117.07007	4.1
119.01933	3.0
119.08582	8.8
121.02880	11.0
121.06501	1.2
121.10141	3.4
126.05520	3.2
128.06226	34.8
129.07030	7.5
130.06464	1.5
131.04919	4.6
131.08604	2.6
133.06459	2.7
133.10146	8.5
134.99686	1.4
137.05977	5.4
141.06950	3.2
142.07762	2.2
143.01886	1.9
143.04901	3.2
143.08562	43.0
145.06482	5.5
145.10121	4.2
147.04434	8.2
147.08051	1.9
147.11697	7.7
153.06967	2.5
155.06023	2.1
157.06500	2.9
157.10115	2.7
159.04430	3.3
159.08020	1.6
160.05188	11.0
160.08783	1.5
161.02963	4.1
161.06004	8.5
161.09618	4.2
161.13257	4.5
162.04430	1.4
162.06737	16.9
162.07970	1.8
170.10893	1.7
171.05011	5.3
171.08057	51.4
171.55037	1.3
172.08774	2.5
173.05995	4.1
174.06741	17.2
175.03908	1.6
175.07545	40.9
175.11168	3.9
175.14839	1.7
177.00734	1.8
182.55728	1.5
184.04578	1.0
185.05949	1.4
185.09641	2.5
185.13295	2.6
188.08353	17.4
193.73624	1.1
203.03424	2.7
203.05270	2.2
203.06963	15.1
203.10675	100.0
203.14168	10.1
203.17963	12.6
204.06705	1.3
204.08678	6.3
204.11156	1.3
204.13870	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84483	1.6
54.92101	1.7
57.38093	1.6
61.34665	1.6
71.15028	4.6
83.28770	1.5
83.93284	1.8
92.32394	1.8
92.84931	1.8
98.97572	2.6
100.02473	8.0
101.00867	11.1
103.79996	1.6
116.98634	2.7
118.03504	4.0
118.99041	2.0
119.01926	100.0
127.47215	2.1
133.74992	1.8
134.99689	4.7
137.02957	44.1
142.02435	2.7
142.03499	43.0
160.04562	28.3
161.02962	25.4
165.05141	2.4
178.05595	4.3
179.04004	60.8
179.05586	3.0
184.04553	2.7
197.99181	5.5
199.50151	2.3
202.05629	4.7
220.02133	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	202.1439
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
54.28335	0.4
55.05510	8.9
56.05043	2.1
56.96560	1.1
60.66975	0.4
70.03730	0.4
70.06595	5.8
71.06107	1.0
71.42306	0.4
71.42637	0.8
72.08157	1.4
73.06554	12.9
78.49117	0.4
82.06568	0.8
84.04510	0.9
84.08143	79.6
86.09687	0.8
88.08749	0.9
98.97591	0.8
101.00892	0.8
101.37812	0.4
102.09225	0.7
110.22803	0.4
112.07598	0.5
116.07072	1.6
116.98666	0.7
119.01905	3.5
130.08641	23.8
134.99661	0.5
137.02956	1.4
137.40495	0.4
138.05502	0.7
138.12775	8.5
142.03510	1.2
143.01968	0.5
151.08820	0.4
154.50938	0.4
156.13840	69.1
157.14236	0.8
158.12903	1.0
160.04601	1.2
161.02922	2.2
166.12288	0.8
174.05519	0.5
179.04042	1.4
184.09789	1.0
184.13338	20.2
185.13724	0.4
195.22040	0.4
202.14380	100.0
203.14978	3.8
217.09125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0918
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03925	1.9
54.98613	1.7
55.05507	2.0
55.88734	1.3
56.05031	2.8
56.96335	1.7
56.96560	17.8
57.14584	1.4
59.06093	1.7
61.20473	1.4
67.05475	4.0
68.05001	3.5
69.03430	7.4
69.07056	6.6
70.06580	3.2
70.71104	2.4
73.77791	1.5
76.50054	1.3
79.05468	3.6
79.23737	1.5
80.05000	4.2
81.03444	1.3
81.07047	2.6
82.06554	2.3
83.04932	1.9
84.08115	2.9
85.02895	3.0
87.60912	1.6
91.05479	7.2
93.05793	2.5
93.07036	5.9
94.06560	22.3
95.04961	6.4
96.04475	3.2
96.77481	1.3
97.02822	1.6
97.06506	2.5
98.06030	2.3
98.97580	83.9
108.04475	2.6
108.08118	23.3
108.59595	1.3
109.06504	4.6
110.06046	16.8
112.03932	4.8
112.07605	6.4
116.98619	96.6
118.06525	3.2
118.96755	2.9
119.05011	2.0
120.08109	1.9
122.05154	3.1
122.06025	60.8
123.04411	1.8
123.06805	1.7
124.07572	4.0
126.05441	1.5
126.09132	3.9
127.03915	1.8
134.99657	81.9
136.03976	1.7
136.07576	71.2
137.05936	4.9
138.09117	3.7
139.07526	5.4
140.00197	2.9
140.07060	93.5
153.00726	17.1
153.96703	1.8
154.05008	3.3
154.08626	61.8
158.01260	9.8
158.99580	1.4
160.14723	1.8
164.07082	13.0
165.05475	2.1
176.02271	2.2
177.00603	9.1
177.98050	2.2
182.08118	66.1
182.11710	2.0
195.01755	5.5
197.55513	2.0
200.09163	100.0
200.19035	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
56.05046	4.5
56.05269	1.2
56.05835	0.9
56.96333	0.7
56.96566	8.0
57.04544	1.0
57.07077	1.3
57.93549	2.9
59.06115	1.9
69.07061	1.7
71.57529	1.1
71.95253	1.3
74.09731	3.7
75.94592	2.8
78.74358	0.6
81.07050	0.7
83.08622	1.4
98.00902	0.7
98.97584	47.5
99.05561	1.6
100.02480	2.8
100.07616	1.2
101.00879	2.0
103.95961	0.7
104.23189	0.7
111.04439	1.6
111.11761	0.7
116.00209	0.9
116.01946	9.7
116.97254	31.5
116.98609	50.0
118.03521	9.4
119.01921	21.0
120.01964	0.8
121.01674	1.3
130.03499	1.6
131.99539	7.4
132.05092	2.3
134.02995	100.0
134.95882	2.8
134.99661	49.7
135.03096	2.2
135.11720	0.7
136.04565	9.2
137.02968	11.9
137.04712	1.3
139.03584	1.9
139.98814	1.2
140.00198	2.1
140.04634	1.0
142.03502	1.5
148.96193	3.0
150.06107	2.0
152.04051	23.0
152.05872	1.4
152.96957	9.7
153.00703	10.9
153.04234	0.8
156.97569	0.8
157.04591	20.4
157.97530	1.4
158.01283	6.7
158.02980	7.1
159.06148	1.2
160.04605	3.1
170.98009	2.1
172.04601	1.7
173.07802	2.2
174.06174	1.0
174.98549	1.1
175.04128	1.2
175.05637	10.5
175.98531	27.4
176.02390	5.4
176.04030	36.1
176.05804	4.4
177.00711	1.1
178.05673	1.0
180.06172	0.8
181.04646	1.6
190.05646	1.2
193.06752	2.3
193.99553	0.8
194.03423	1.6
194.05086	18.5
194.06755	1.9
195.01736	0.8
195.05110	0.8
199.00195	1.5
199.03993	1.0
199.05667	8.6
199.11789	0.7
199.18896	22.8
200.04138	0.9
217.04971	1.5
217.06761	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	199.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.73408	0.4
55.01831	2.7
55.05509	2.9
56.05006	0.4
56.96526	1.0
57.03411	0.4
57.07040	0.6
57.93535	0.7
59.06084	0.7
60.04493	0.5
62.03234	0.4
64.02739	0.4
65.03899	0.8
67.05506	3.5
69.03400	1.1
69.07067	2.8
70.06553	0.5
71.01344	0.4
71.13602	1.0
74.09724	2.6
77.03902	0.8
79.05495	18.8
81.03391	0.5
81.07061	5.4
83.04957	0.9
83.06086	0.6
83.08568	1.7
84.08905	0.5
91.05478	13.0
93.07048	30.5
95.04967	7.1
95.08569	1.7
97.06535	3.2
97.10123	0.5
98.10536	0.5
98.97584	5.4
99.05573	0.4
100.07571	0.9
103.05486	2.0
105.03345	0.8
105.04508	0.8
105.06989	0.7
107.01325	0.6
107.04958	2.7
107.08537	0.7
109.06488	1.1
111.04455	3.6
111.08111	3.0
111.11716	0.6
116.96407	0.4
116.97245	8.0
116.98616	5.2
121.06507	37.9
123.04424	1.5
123.07203	0.7
123.08068	13.9
124.88721	0.4
131.99539	1.7
134.01477	0.5
134.95786	0.4
134.99660	5.3
135.08112	0.5
139.03899	0.6
139.07547	29.1
140.00085	0.4
140.04723	2.3
140.08115	0.6
141.05455	0.5
143.08543	0.6
148.96199	0.7
149.05978	11.2
152.96916	2.4
153.00716	1.1
155.06976	0.6
158.01279	1.0
167.07045	100.0
168.07365	1.2
171.11682	0.5
175.98547	6.6
176.02185	0.5
181.04965	0.8
181.08647	0.7
185.08116	1.5
192.72180	0.4
195.01802	0.4
199.09561	1.1
199.11874	0.6
199.14920	0.6
199.18892	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
54.15806	0.7
55.05514	4.3
55.05741	0.8
55.93521	0.9
57.03451	0.8
57.07075	2.6
59.05019	2.1
65.03934	1.1
67.05526	6.0
67.17193	0.6
69.03428	0.9
69.07084	3.9
69.46096	6.9
70.95872	7.1
71.05010	0.9
71.08640	0.9
72.29549	0.6
72.93793	3.6
73.02924	1.1
79.05492	6.0
81.07065	9.1
82.27929	0.7
83.08624	1.9
84.08127	0.9
85.06552	1.2
88.96909	1.3
90.94823	0.8
91.05486	14.1
93.07048	21.1
95.04967	8.0
95.08607	7.0
97.10164	1.1
98.20738	1.5
99.08119	0.6
100.17533	0.7
105.07034	26.8
107.04946	1.2
107.08600	59.5
108.08896	0.7
109.06524	6.7
109.10167	9.8
111.08079	0.8
111.48415	0.6
111.98487	8.5
113.08264	1.4
113.96419	0.8
117.07017	1.0
119.04951	2.4
119.06016	0.7
119.08571	8.1
121.06544	5.2
121.10166	1.0
123.04451	2.8
123.08049	1.9
123.11731	6.2
129.99522	5.0
131.08557	3.2
132.95833	9.2
133.10138	62.9
134.10526	0.8
135.08061	2.0
135.11699	55.6
136.52457	0.7
137.02359	2.1
137.05981	3.5
137.09584	4.1
138.02704	0.9
143.08591	2.3
146.07251	2.1
149.02611	0.7
150.96895	23.0
151.03902	2.2
151.07607	0.7
151.11220	4.8
155.09285	0.8
155.97435	7.7
157.02890	0.9
161.09624	34.1
168.97984	1.5
173.98509	16.8
174.00801	0.7
174.98660	0.9
179.10683	100.0
179.17902	1.0
180.11063	2.0
186.24791	0.8
197.00075	2.0
197.11746	93.4
197.19049	1.2
198.12012	2.1
198.18541	12.6
204.70245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01872	1.5
55.05499	2.2
61.02909	1.3
64.97265	0.9
67.05509	2.2
67.07697	0.9
69.03414	2.4
69.37423	9.1
70.95864	5.2
72.93784	2.4
73.02893	1.6
79.05486	5.8
81.07061	5.5
88.96877	1.5
91.05488	12.7
93.07042	17.2
94.07407	0.9
95.04961	2.7
95.08588	4.2
97.06564	1.6
105.07034	26.3
107.08595	100.0
109.06516	3.2
109.10157	4.0
111.98452	5.8
113.08263	1.1
119.04932	1.6
119.06087	1.1
119.08581	14.1
121.06500	2.7
121.10149	15.0
123.08043	2.4
123.11716	2.8
125.09686	1.5
129.99525	2.7
131.08589	2.3
132.95850	8.1
133.06476	1.6
133.10132	54.7
134.10440	1.1
135.11687	3.9
137.05972	3.6
137.09630	2.6
139.07545	3.4
143.08537	2.0
149.09599	9.5
149.51439	0.7
150.96880	15.5
151.03934	1.4
151.07520	3.6
151.11195	16.6
155.09207	1.0
155.97484	4.6
161.09619	16.1
165.05537	1.0
167.10675	27.3
168.97919	1.1
173.97049	0.6
173.98499	14.6
179.09109	2.2
179.10675	42.1
180.11052	0.9
197.11745	70.5
198.12007	1.3
198.18495	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	197.1174
Annotation	Phenol A
Peak:m/z	Relative Intensity
52.28713	1.0
53.03947	1.6
55.01872	4.3
55.05263	1.2
55.05515	21.2
55.93524	2.0
56.05045	1.0
56.96569	1.1
57.03425	1.2
57.07083	2.1
59.06138	1.0
67.05522	4.7
69.03435	4.5
69.07079	4.9
69.47955	3.8
69.48383	4.1
70.06597	1.2
70.95870	25.7
71.01397	1.0
71.04993	1.8
72.93798	14.8
73.02905	1.5
79.05506	5.2
81.03414	2.3
81.07060	17.8
83.04997	2.0
83.08614	2.2
85.06557	1.4
88.96899	8.2
90.94835	3.8
91.05486	9.8
93.07056	7.6
95.04981	4.6
95.08610	4.6
97.06541	9.5
97.07594	0.9
97.10177	1.9
99.04462	11.4
101.85960	0.9
105.03387	1.7
105.07051	12.0
107.08603	27.4
108.95871	2.3
109.06516	11.6
109.10163	5.4
111.04426	1.7
111.08110	2.0
111.98486	27.1
113.05968	1.0
113.08286	5.2
113.96397	4.6
114.94842	1.0
119.04974	1.2
119.08572	3.1
121.06517	2.8
123.04457	3.0
123.08078	3.9
123.11724	2.7
125.06000	91.9
127.03931	29.8
129.99519	23.9
131.97472	2.3
132.95836	32.2
133.02893	1.4
133.10144	22.3
135.08031	1.7
135.11687	11.5
136.05093	1.0
137.02362	2.6
137.05988	75.4
137.09656	2.8
138.06656	1.7
141.05461	1.0
143.08646	2.2
145.05008	1.6
150.96902	100.0
151.03917	6.9
151.07520	5.9
151.11186	6.6
151.97110	1.0
152.14723	1.1
153.01080	2.1
153.09125	1.1
155.07109	2.4
155.09279	3.6
155.97426	32.4
161.09624	17.4
161.13214	2.0
165.05537	1.4
167.07053	1.8
168.97957	6.4
173.98499	88.5
174.98756	1.8
179.03529	1.1
179.07066	10.6
179.09308	2.1
179.10681	33.1
179.14328	1.9
191.99510	1.1
196.91934	1.0
197.00102	10.4
197.08125	9.5
197.10249	2.5
197.11787	29.7
197.13341	1.8
198.00378	1.0
198.09154	1.5
198.18549	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.81306	0.8
51.46528	0.8
54.07764	0.8
55.01858	1.5
55.05510	2.9
55.93502	0.9
57.07061	1.7
59.04998	3.1
59.10291	0.7
64.15382	0.8
67.05502	4.7
69.07052	2.7
69.93600	3.1
70.06582	0.8
70.95870	12.5
71.05000	1.3
72.08144	1.2
72.60596	0.9
72.93789	6.1
79.05498	5.5
81.07059	5.3
83.04950	1.9
83.08636	1.1
85.06549	1.3
88.96885	2.8
90.94836	2.3
91.05481	13.2
93.07047	22.4
95.04972	6.8
95.06119	0.8
95.08605	4.1
97.06505	2.1
101.07102	1.3
102.37306	0.9
105.03387	2.8
105.06380	1.5
105.07044	23.4
107.04951	1.0
107.08598	58.6
109.05885	0.8
109.06509	5.4
109.10158	6.2
111.04474	0.9
111.98481	13.9
113.06020	1.3
113.08246	3.8
113.96433	1.7
119.04942	2.5
119.08599	7.4
121.06514	5.5
121.10114	2.1
123.04428	2.9
123.08031	2.5
123.11716	3.1
125.05959	1.9
129.99518	8.3
131.08585	1.8
131.97441	1.6
132.95853	14.6
133.06560	1.3
133.10136	62.3
135.08029	1.1
135.11702	49.1
136.12033	1.2
137.05981	5.5
137.08263	1.1
137.09610	5.7
137.72926	0.9
138.06689	2.0
141.05476	1.6
143.08514	1.3
146.07234	1.4
150.96902	40.2
151.03900	2.8
151.07538	1.4
151.11154	5.2
152.07068	2.2
153.01051	0.8
155.09300	1.6
155.97427	16.4
161.09624	28.6
161.13275	1.0
167.10757	0.7
168.63341	0.8
168.97974	1.8
173.96996	0.8
173.98505	32.9
179.07135	2.4
179.10681	100.0
180.11021	3.1
191.99625	1.1
197.00089	2.4
197.08032	2.4
197.11743	82.0
198.12164	1.2
198.18532	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	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01870	2.1
55.05526	0.7
55.93517	0.5
64.29768	0.5
65.03949	1.1
67.05502	2.2
70.95871	6.2
71.06420	1.6
72.93786	2.7
73.02924	20.5
79.05481	0.6
80.65094	0.6
81.07056	0.7
88.96894	1.3
90.94819	0.9
91.05485	2.6
93.07037	1.2
95.04972	1.9
96.15915	0.6
105.07032	1.0
107.08588	1.8
108.02114	2.0
109.02885	0.6
109.06505	1.2
110.03663	1.6
111.04446	2.0
111.98483	5.5
113.08242	3.4
113.96401	0.8
119.01949	0.8
119.04940	1.7
121.06416	0.5
125.06006	18.3
129.99532	3.3
132.94952	0.8
132.95862	7.8
133.02863	0.7
133.10138	2.1
135.11745	1.1
136.01559	0.6
137.05974	1.7
137.08243	1.5
138.06631	0.6
141.05444	3.1
149.06000	2.9
150.95685	1.0
150.96906	19.7
150.98090	1.0
151.03917	100.0
151.04984	5.1
151.07443	3.6
152.04260	0.6
155.09279	1.6
155.97420	9.3
161.09627	0.7
161.13297	0.5
168.83638	0.5
168.97966	1.0
173.98506	17.9
179.05450	1.2
179.07051	23.3
179.09280	1.6
179.10709	2.5
182.05736	1.4
192.22845	0.5
197.00076	1.2
197.08110	10.9
197.10046	1.2
197.11864	3.1
197.13441	0.9
198.18524	0.8
215.44473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44622	3.2
63.72052	3.1
69.25682	3.0
70.06594	5.4
71.57687	6.3
78.83423	2.7
81.03414	4.7
82.03821	3.8
99.36254	3.2
109.02953	3.0
113.08249	14.8
124.39929	3.0
134.54778	3.3
134.58224	2.9
137.06876	43.1
137.07918	5.2
138.05278	56.4
162.06404	14.7
179.09076	100.0
180.07457	30.8
196.87737	6.4
197.10251	30.5
197.11806	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03925	1.1
55.01870	1.4
55.05515	2.1
55.93532	0.6
57.07077	1.0
59.04986	1.0
64.84668	0.6
65.03934	0.7
67.05507	3.0
69.03434	1.4
69.07066	1.6
70.06591	0.7
70.08974	1.5
70.09389	1.6
70.95862	11.5
70.96228	0.9
71.04982	1.4
72.93784	5.2
73.02924	1.6
76.03625	0.6
77.03909	0.8
79.05490	5.4
81.07058	4.7
83.04982	1.1
83.08605	1.0
85.02885	0.7
85.34768	0.5
88.96894	2.2
90.94843	1.6
91.04903	0.7
91.05479	12.3
93.03409	0.7
93.07043	10.3
95.04975	4.1
95.08618	3.8
95.09138	0.7
96.05632	0.7
96.83806	0.6
97.06527	1.1
97.10167	0.7
98.20856	0.8
99.04494	1.0
105.03394	12.0
105.04460	0.7
105.07028	19.6
105.43208	0.6
107.04923	1.0
107.08597	100.0
108.08894	0.8
109.06525	5.9
109.10166	5.5
111.04414	0.8
111.98480	10.3
113.06033	0.6
113.08266	2.8
113.96393	0.8
117.06995	0.8
119.04962	1.2
119.08580	8.6
121.06499	3.4
121.10143	5.5
123.04432	1.4
123.08067	2.3
123.11722	1.5
125.06000	1.6
128.06154	0.6
129.99538	6.2
130.26219	0.6
131.08582	2.5
131.97443	1.0
132.05739	0.6
132.95833	14.1
133.02827	0.8
133.06528	1.0
133.10135	55.6
134.10434	1.3
135.04390	0.6
135.08112	0.7
135.11697	14.7
137.02328	1.3
137.05984	5.4
137.08290	1.3
137.09630	4.0
138.06691	0.7
139.07536	1.3
141.05411	1.0
143.08537	1.6
146.07309	1.5
148.83195	0.6
149.09608	2.5
150.96895	35.3
151.03915	4.6
151.05016	0.9
151.07536	1.9
151.11206	9.5
153.01117	1.2
153.05440	0.8
155.09352	1.3
155.10498	0.8
155.97433	14.1
155.98703	0.8
156.97681	0.6
161.09627	17.1
165.05510	1.5
166.88280	0.7
167.10686	9.2
168.97972	1.6
169.10088	0.7
173.98505	27.4
179.07112	1.5
179.09319	1.3
179.10672	35.4
180.10997	0.7
197.00089	2.7
197.08058	1.8
197.11739	72.1
198.12180	1.1
198.18529	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	197.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37435	0.3
51.66784	0.3
53.03963	1.2
55.01880	0.8
56.31805	0.3
56.96579	0.4
57.03456	0.4
65.03929	0.4
67.05528	0.7
68.99799	0.6
69.03461	0.4
70.06602	0.4
70.95869	0.7
71.01360	0.9
71.05001	0.6
71.57716	0.4
72.93778	0.4
73.02948	0.5
79.05496	2.4
81.03419	6.3
81.07081	0.8
85.06538	0.3
87.04475	2.0
88.77242	0.3
91.02177	0.5
91.05489	1.0
93.07068	1.0
95.04987	1.6
95.08624	0.7
96.04491	0.3
97.00824	0.3
97.02927	0.7
99.04417	0.4
105.07040	1.1
107.01342	0.9
107.04955	3.9
107.08591	2.0
109.02890	3.6
109.06525	0.4
109.10181	0.5
110.03658	3.9
110.04272	0.4
111.04426	0.6
111.98518	0.7
119.01965	0.6
119.04951	0.6
119.08571	0.5
123.04377	0.7
125.06001	1.0
127.03919	5.1
129.99524	0.7
131.96097	0.4
132.95856	0.7
133.10121	1.9
135.04388	0.6
135.11696	1.4
137.02348	100.0
137.03418	10.4
137.05945	1.2
138.02702	0.9
138.05304	0.7
139.03925	0.8
141.05440	0.4
149.97202	0.9
150.96840	3.2
151.03932	2.0
151.07556	0.5
152.07065	1.8
155.03384	0.4
155.97444	1.4
161.09589	1.2
169.04955	1.3
173.98474	2.8
179.03705	0.5
179.07173	0.4
179.09064	1.2
179.10677	2.4
181.05028	0.5
197.04453	45.0
197.11658	2.4
198.04858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0444
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
51.37435	0.3
51.66784	0.3
53.03963	1.2
55.01880	0.8
56.31805	0.3
56.96579	0.4
57.03456	0.4
65.03929	0.4
67.05528	0.7
68.99799	0.6
69.03461	0.4
70.06602	0.4
70.95869	0.7
71.01360	0.9
71.05001	0.6
71.57716	0.4
72.93778	0.4
73.02948	0.5
79.05496	2.4
81.03419	6.3
81.07081	0.8
85.06538	0.3
87.04475	2.0
88.77242	0.3
91.02177	0.5
91.05489	1.0
93.07068	1.0
95.04987	1.6
95.08624	0.7
96.04491	0.3
97.00824	0.3
97.02927	0.7
99.04417	0.4
105.07040	1.1
107.01342	0.9
107.04955	3.9
107.08591	2.0
109.02890	3.6
109.06525	0.4
109.10181	0.5
110.03658	3.9
110.04272	0.4
111.04426	0.6
111.98518	0.7
119.01965	0.6
119.04951	0.6
119.08571	0.5
123.04377	0.7
125.06001	1.0
127.03919	5.1
129.99524	0.7
131.96097	0.4
132.95856	0.7
133.10121	1.9
135.04388	0.6
135.11696	1.4
137.02348	100.0
137.03418	10.4
137.05945	1.2
138.02702	0.9
138.05304	0.7
139.03925	0.8
141.05440	0.4
149.97202	0.9
150.96840	3.2
151.03932	2.0
151.07556	0.5
152.07065	1.8
155.03384	0.4
155.97444	1.4
161.09589	1.2
169.04955	1.3
173.98474	2.8
179.03705	0.5
179.07173	0.4
179.09064	1.2
179.10677	2.4
181.05028	0.5
197.04453	45.0
197.11658	2.4
198.04858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
54.93851	0.6
56.96568	2.9
57.03439	0.5
60.04533	2.2
61.02939	0.5
65.03960	0.5
68.16373	0.4
69.03458	0.4
69.07055	0.7
69.96181	5.9
70.95864	1.4
71.51884	0.9
71.94104	1.7
72.93800	0.7
73.02927	2.1
79.05481	0.7
80.05026	0.4
81.03421	3.2
81.07043	0.4
82.03767	1.5
85.02895	0.6
88.84269	0.5
95.04992	0.8
97.02919	0.9
98.97605	2.6
104.04972	0.5
107.04948	0.8
109.02878	3.0
110.03065	0.5
110.03690	1.8
110.97584	1.0
110.98784	1.1
111.98495	1.4
113.95082	1.1
116.98621	1.4
123.04402	0.5
123.06840	2.8
124.07554	0.4
126.05579	0.4
127.03928	2.9
128.02321	0.4
128.98630	1.9
129.99535	1.0
131.96152	23.2
132.04417	2.5
132.95844	1.9
134.06027	0.9
134.99675	0.5
135.04446	0.9
136.03940	3.9
136.93193	0.5
137.02347	100.0
138.02675	2.0
146.99677	1.5
147.04486	0.4
149.97205	47.2
150.05461	0.6
150.09166	0.7
150.96854	4.2
152.07072	1.5
154.94186	1.5
154.97739	11.8
155.97395	2.0
158.99722	0.6
164.03447	6.1
165.03114	0.9
166.08644	0.8
167.98277	4.7
168.06563	8.9
172.95306	3.6
172.98808	25.1
173.98483	5.1
174.03642	1.6
177.00693	1.5
178.08626	1.3
184.05043	0.5
185.54622	0.4
190.96306	1.7
190.99884	0.8
196.00392	1.4
196.06071	21.4
196.09666	11.6
197.04428	1.1
197.06230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90349	0.4
53.03962	0.8
54.93844	1.2
55.01871	0.5
55.05510	0.7
56.05044	0.5
56.96561	5.9
60.04536	1.1
67.05509	1.2
69.03442	1.5
69.07082	0.7
69.96181	12.7
70.30822	0.5
70.78429	1.5
70.95873	3.1
71.04990	0.8
71.94091	3.6
72.05357	0.6
72.93804	1.3
73.02930	1.6
80.05033	0.5
81.03420	3.4
81.07083	0.7
82.03744	3.0
82.35527	0.5
83.04977	0.6
84.08128	0.5
85.02924	1.7
87.04476	0.6
87.97218	0.9
88.96928	0.9
89.95150	0.5
90.94794	0.6
93.07081	0.5
94.06565	1.0
95.04988	0.5
95.08631	0.7
96.10126	0.4
97.02894	1.5
97.71239	0.4
98.97594	4.1
107.04962	0.7
108.04504	0.5
109.02894	2.3
110.03162	2.3
110.97620	0.5
110.98794	2.0
111.04501	0.5
111.98501	2.1
113.57348	0.4
113.95120	1.6
115.89745	0.4
116.98614	3.2
119.01917	0.6
119.04981	0.7
122.06039	0.9
123.06806	10.0
124.07608	0.8
126.65011	0.4
127.03912	1.8
128.02344	0.4
128.98654	1.2
128.99799	0.8
129.99544	2.6
131.96150	37.8
132.04466	9.9
132.95871	4.1
133.04816	0.5
134.06015	1.6
134.99658	2.5
136.03925	1.9
136.07597	1.1
136.93105	0.9
137.02348	46.1
137.03406	2.9
137.05911	0.8
138.05493	0.9
142.08713	0.5
146.99619	0.8
147.03363	0.5
149.97208	100.0
150.00735	1.8
150.05495	2.2
150.06581	0.8
150.09175	1.5
150.96872	10.2
151.03871	0.7
152.07080	2.1
153.00696	0.5
154.94228	2.3
154.97746	16.8
155.97356	3.0
158.99646	0.9
160.07726	0.5
164.03438	1.9
166.08632	2.1
167.98259	12.1
168.06517	3.4
172.95314	6.1
172.98813	45.6
173.98468	7.1
174.03633	1.1
177.00674	1.9
178.04922	1.1
178.08524	2.6
184.04910	0.9
184.53671	0.4
190.96312	6.1
190.99869	3.0
195.01898	0.6
196.00444	3.6
196.06030	8.9
196.09691	26.3
196.16914	2.8
197.00333	0.6
197.04480	0.5
206.16951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	2.1
60.15124	2.4
61.41137	2.2
63.66693	1.9
67.23414	2.3
68.24269	2.5
69.96174	10.6
70.06580	5.2
70.83773	5.2
70.84171	4.1
71.94073	2.5
72.08132	2.2
97.07646	3.0
104.51009	2.4
110.07137	4.3
111.98457	5.2
112.08708	5.8
113.95114	3.2
114.10281	4.8
129.99518	6.5
131.96147	28.6
132.95802	5.3
133.05325	2.5
137.08244	3.0
138.10217	3.6
149.97205	100.0
150.09129	2.7
150.96873	11.9
153.11266	3.6
154.97720	27.4
155.12837	3.8
155.97420	7.7
164.04332	3.7
167.98293	17.2
172.98817	62.8
173.98457	15.5
179.12914	6.2
190.99808	4.3
196.00403	33.0
196.06030	4.5
196.15456	5.5
196.17027	13.3
197.00050	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	196.004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93847	1.1
56.96545	1.9
59.48045	0.8
60.05658	0.8
61.20612	0.8
69.96183	11.5
71.45759	0.8
71.46114	1.6
71.94105	3.3
110.98789	2.4
113.95122	2.4
131.96152	52.1
136.93161	2.0
145.03371	0.9
149.97206	100.0
154.94221	5.9
154.97729	22.1
167.98248	10.2
172.95341	12.5
172.98813	52.1
179.08972	1.0
190.96466	7.1
190.99905	1.6
196.00418	3.4
196.86780	0.8
213.97806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03945	4.0
53.31903	1.4
55.01862	6.4
55.05519	14.1
55.31907	1.6
56.96574	1.8
57.07069	4.8
58.25495	1.7
67.05517	9.9
68.96355	2.9
69.03419	7.1
69.07071	27.2
69.96154	2.1
70.06612	2.1
70.13374	1.7
70.13667	7.4
71.04986	6.2
72.93784	1.9
79.05133	1.6
79.05503	17.4
81.03039	1.8
81.03423	18.5
81.07061	42.4
83.04974	5.5
83.08631	13.5
85.02914	2.1
85.06535	6.1
89.03917	19.5
89.06026	5.9
89.14455	1.3
91.05493	11.0
93.07049	26.3
95.04983	6.0
95.08612	55.8
97.06525	4.4
97.10168	8.1
99.04452	1.5
99.07484	2.0
99.08098	27.7
103.05470	3.1
105.07036	6.0
106.04179	2.7
107.04961	18.8
107.08604	38.3
109.02904	11.5
109.06514	2.4
109.10159	12.3
109.98904	2.4
111.04447	2.9
111.08096	16.0
113.06026	2.2
113.09631	5.8
113.96415	1.8
117.02612	2.7
117.03386	39.4
119.08597	2.7
121.02948	1.9
121.06503	4.3
121.09315	2.8
121.10155	50.0
123.08064	3.5
123.11731	1.8
125.09650	8.3
130.96332	3.1
131.08545	6.4
131.96127	5.5
133.02838	3.2
133.10126	2.6
134.03629	6.2
135.04408	13.3
135.08029	5.6
135.10020	2.4
135.11708	12.5
137.02354	1.8
137.13266	16.0
139.07553	1.7
139.11165	3.5
145.02856	74.0
148.97369	7.5
149.06001	20.5
149.09621	6.5
149.13254	7.1
149.97211	11.5
151.07660	2.0
153.05440	7.3
153.09045	2.8
153.97876	4.3
154.97824	1.6
159.11694	3.0
162.03046	1.8
163.03906	26.7
163.07550	3.5
167.07054	5.9
167.08395	1.9
171.98975	7.8
172.98805	6.2
177.05486	100.0
177.09047	2.9
177.12907	3.2
177.16397	81.9
178.05846	5.0
186.05569	4.0
195.01094	1.6
195.02899	6.0
195.06564	8.7
195.08623	2.6
195.10199	9.2
195.11766	3.2
195.13773	3.5
195.15831	2.4
195.17473	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	195.1745
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
53.03943	0.8
55.01875	0.7
55.05510	7.7
57.03426	0.5
57.07079	10.5
59.04993	0.5
65.03931	0.7
67.05507	6.7
68.96313	0.4
69.03426	1.3
69.07070	14.4
69.40120	3.2
69.40517	0.6
71.04992	1.7
71.08655	0.9
77.03948	0.4
79.05495	6.6
81.03415	3.4
81.07062	27.3
82.07353	0.4
83.04981	0.7
83.08619	11.9
85.06550	1.1
89.03928	3.7
89.06039	0.8
91.05480	4.6
93.07049	16.7
95.04975	1.1
95.08614	54.3
96.08926	0.7
97.06519	0.8
97.10181	3.0
99.08092	1.7
105.07035	4.1
107.04979	2.5
107.08599	49.5
108.08869	0.6
109.02860	2.2
109.06507	1.1
109.10164	14.6
109.98927	0.6
110.10493	0.4
111.08070	2.2
111.11697	0.5
113.09656	0.6
117.03375	6.6
119.08586	1.7
121.02863	0.4
121.10150	74.3
122.10502	0.4
123.08091	0.8
123.11716	11.9
124.05228	0.4
125.06051	0.9
125.07042	0.6
125.09665	3.5
131.96127	0.9
133.10129	0.5
134.03676	1.1
135.04402	1.5
135.08064	1.0
135.11700	20.1
137.13260	100.0
138.13591	1.2
139.11156	2.7
141.05403	0.5
145.01736	0.8
145.02855	13.7
148.97343	1.4
149.06013	4.0
149.09648	0.5
149.13258	7.1
149.97249	1.5
151.14853	1.6
153.05449	1.3
153.12772	0.5
163.03922	3.4
163.07544	0.6
167.07043	0.6
171.98921	1.2
172.98814	1.2
177.05484	18.2
177.16394	84.3
178.05879	0.6
178.16743	1.7
186.05481	0.5
195.02979	0.9
195.06575	1.1
195.08624	0.6
195.10213	1.1
195.17456	48.9
196.17691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Oxidized Latia luciferin
Peak:m/z	Relative Intensity
55.05507	8.5
57.07080	8.0
67.05488	5.0
69.03423	2.1
69.07066	15.3
69.47104	11.2
71.08601	1.2
79.05482	4.4
81.03401	5.1
81.07056	26.4
83.08626	11.0
89.03898	3.8
91.05474	4.8
93.07043	15.7
95.04945	1.2
95.08606	49.0
97.10167	3.0
99.08112	7.0
100.14382	1.3
103.05408	1.5
105.07013	3.2
107.04943	3.0
107.08594	42.1
109.02864	2.1
109.06508	1.6
109.10160	11.2
111.08048	2.4
114.99984	1.3
117.03360	4.9
119.08490	1.4
121.10146	71.9
123.07992	1.5
123.11709	13.5
125.09664	6.0
135.04405	1.6
135.11693	22.9
137.13255	100.0
139.11203	1.9
145.02870	10.8
149.05942	3.0
149.13242	6.7
149.97198	2.6
151.14818	1.9
153.05511	2.0
163.03902	3.9
167.07082	1.6
172.98808	1.5
177.05470	15.9
177.16388	92.3
195.10062	1.8
195.17435	51.3
212.81271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03946	0.9
55.01875	1.8
55.05513	14.9
56.96554	0.8
57.03436	0.6
57.07081	4.9
59.05008	1.2
65.03924	0.5
67.05506	7.6
69.03436	6.5
69.07071	29.8
70.07394	0.7
71.04686	0.8
71.05010	5.1
71.08636	1.1
79.05492	7.6
81.03411	2.4
81.07059	30.5
82.59658	0.5
83.04991	1.4
83.08622	13.7
83.61234	0.5
85.06547	4.3
90.22930	0.6
91.05474	2.4
93.07052	18.5
95.04910	0.7
95.08610	54.8
96.08965	0.8
97.06565	0.9
97.10180	7.9
99.08099	37.3
105.07038	3.0
107.04947	0.9
107.08601	40.8
108.08919	0.7
109.02879	1.2
109.06487	0.8
109.10159	12.6
111.08094	10.0
111.11716	2.5
113.09656	6.0
117.03374	0.6
119.08598	1.0
121.10146	68.1
122.10480	1.1
123.08012	0.7
123.11743	4.1
125.09631	24.6
125.13251	1.0
131.96188	0.6
135.04349	0.7
135.08061	0.7
135.11699	15.6
137.13254	16.4
139.11179	3.6
145.02844	1.1
147.02309	0.5
149.13258	5.2
149.97208	1.1
151.14844	1.3
153.01813	1.2
163.03920	0.7
171.99048	0.7
172.98900	0.5
177.05501	1.9
177.16393	100.0
178.16753	2.5
195.06557	3.0
195.10164	0.8
195.15695	0.6
195.17432	16.8
204.88130	0.5
207.62477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03941	5.0
55.01860	5.6
55.05506	15.4
56.96560	4.1
57.03439	3.7
57.07065	7.2
66.15629	1.7
67.05517	14.3
68.05826	2.0
68.96712	1.7
69.03451	8.9
69.07066	25.2
69.14809	1.9
71.04985	5.4
71.57494	3.0
76.61700	1.9
77.03909	2.1
79.05495	22.2
81.03419	29.7
81.07060	34.3
82.07394	2.9
83.04981	2.4
83.08631	12.9
85.02882	3.7
85.06552	4.6
87.04459	2.2
88.82396	1.7
89.03918	4.7
89.06009	4.9
91.05486	13.5
93.07051	28.3
95.04984	8.8
95.08605	47.0
96.08947	3.7
97.02871	3.4
97.06538	3.7
97.10164	6.4
98.97562	2.4
99.04466	2.4
99.08102	30.1
103.05457	11.0
105.07040	15.4
106.07343	2.1
107.04961	100.0
107.08601	39.7
109.02888	17.5
109.06493	3.1
109.09431	2.5
109.10158	16.7
110.10439	2.9
111.04435	2.6
111.08077	9.9
111.10789	3.0
113.06004	2.1
113.09623	3.3
115.05453	8.3
115.10741	1.9
117.03397	7.6
117.07010	4.0
119.01772	2.2
119.04972	2.6
119.08563	4.0
120.05731	2.3
120.08900	2.2
121.02859	2.5
121.06502	4.4
121.09345	3.1
121.10144	60.4
122.10471	3.9
123.04478	2.1
123.08036	2.1
123.10877	3.2
123.11719	7.6
125.09622	18.5
130.96286	3.0
131.04854	1.7
131.08589	4.9
131.96117	5.8
133.10114	5.5
134.10481	3.0
135.04402	7.9
135.08072	25.5
135.10844	3.5
135.11710	20.1
136.12038	2.1
137.06052	2.0
137.12389	3.5
137.13257	14.7
139.03879	2.7
139.11188	3.6
145.02849	16.1
148.97343	6.7
149.06013	8.9
149.09546	3.9
149.13284	8.1
149.97197	10.7
151.03899	3.2
151.07549	2.3
151.13879	2.6
153.01865	2.2
153.05453	5.5
153.97940	3.4
154.06264	6.8
154.97754	2.7
161.18901	1.8
163.03922	17.0
163.07553	39.3
165.05490	3.5
165.09122	2.8
165.16341	2.3
167.07051	34.9
167.98320	2.3
171.98956	6.8
172.98802	7.6
177.04024	2.6
177.05469	20.0
177.09088	5.1
177.12872	3.6
177.16432	75.5
178.05016	2.1
180.07825	6.4
181.17647	2.0
193.07431	2.1
195.02882	4.5
195.06500	19.9
195.08316	2.6
195.10194	42.6
195.11876	3.3
195.13737	2.9
195.17398	12.0
196.16956	2.1
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
53.03932	5.3
55.01859	4.9
55.05514	13.0
56.96564	10.0
57.03421	6.9
57.07070	6.6
62.99271	2.0
63.88443	2.2
65.03930	3.0
67.04928	2.7
67.05505	46.9
67.54313	1.7
69.03408	3.3
69.07056	16.9
69.96167	6.6
71.04984	6.9
71.94099	3.3
71.95247	5.7
72.93786	2.8
79.05499	37.6
81.03420	21.2
81.06577	3.9
81.07056	75.1
82.07404	2.3
83.04976	11.8
83.08634	9.2
83.98792	1.8
85.02893	3.8
85.06513	3.1
89.03907	5.7
89.06019	8.1
91.05477	23.6
93.07042	47.7
95.04968	11.3
95.08609	29.1
97.01348	1.8
97.06531	12.5
97.10167	1.8
100.02486	3.4
103.05449	2.1
105.04479	2.6
105.07022	12.3
107.04961	14.7
107.08582	25.1
109.02911	10.0
109.06504	7.0
109.10134	5.5
109.98957	2.4
111.04439	3.0
111.08076	7.0
112.96690	3.8
113.06031	3.0
117.03387	11.2
117.07022	6.5
119.08536	4.1
121.06496	5.2
121.10131	12.8
123.08051	2.5
123.11681	2.7
125.05996	4.1
130.72945	2.0
130.97673	2.2
131.08583	10.6
131.96141	7.9
131.97365	4.7
133.02803	6.0
133.06464	2.8
133.10138	11.1
135.04448	16.1
135.08038	9.6
135.11685	19.4
137.13266	4.8
138.06645	2.2
139.07550	3.4
145.02850	17.7
148.97330	6.3
149.06004	5.3
149.09641	5.2
149.13254	15.5
149.97209	35.1
150.05354	2.1
153.97942	3.0
154.97719	8.0
154.98891	3.0
159.11705	13.2
161.06558	2.2
163.03909	100.0
163.07599	3.0
164.04228	3.3
165.05574	2.0
165.06981	2.6
167.07025	4.9
167.98206	5.1
171.98933	5.8
172.98811	20.9
177.01962	2.1
177.05467	29.1
177.09064	3.7
177.12764	8.8
177.16338	9.5
180.09450	1.8
195.02913	7.4
195.06512	7.7
195.08223	5.3
195.10152	5.8
195.11766	5.0
195.13792	24.6
195.15584	2.6
195.17444	3.3
196.00427	4.6
196.16895	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01875	3.0
55.05513	14.8
56.96564	2.0
57.03441	6.8
57.07066	2.9
59.04995	1.7
65.03947	1.9
67.05504	14.6
69.03433	4.1
69.07065	22.7
69.24820	1.1
69.49540	4.0
69.49963	7.0
71.01332	1.6
71.04997	12.4
71.94095	2.2
71.95271	1.5
75.71870	1.2
76.14017	1.2
77.55836	1.0
79.05493	34.8
81.03415	15.0
81.07059	29.8
83.04983	3.3
83.08621	4.0
84.04467	1.2
85.02905	1.8
85.06526	2.3
89.03900	5.8
89.06026	3.7
89.95037	1.1
91.05482	25.2
93.07046	46.8
95.04974	10.3
95.08607	15.7
97.06519	3.8
103.05494	2.6
105.04507	1.6
105.07028	16.9
107.04959	25.8
107.08598	34.9
109.02866	5.9
109.06519	10.1
109.10104	2.9
111.04440	1.8
113.96392	1.6
115.05450	2.2
117.03391	15.4
117.07026	9.5
119.08572	9.1
121.06513	10.7
121.10146	13.3
122.07298	1.3
123.08071	9.7
123.09189	5.1
123.11682	1.3
125.06097	2.1
129.06963	1.9
130.07817	1.9
130.96297	1.3
131.08577	14.2
131.96162	4.6
131.97452	2.6
133.02863	9.5
133.06488	9.7
133.10138	4.6
134.03662	1.6
135.04413	17.2
135.08038	6.1
135.11722	10.2
137.13226	4.0
143.08533	1.5
144.09354	3.5
145.02855	24.1
145.03972	2.7
148.47200	1.5
148.97389	3.0
149.05983	11.2
149.09608	2.8
149.13254	10.4
149.97195	14.7
153.05482	1.8
153.97929	1.8
154.97745	1.9
159.11711	11.0
160.04112	1.8
163.03911	100.0
163.07550	3.8
164.04202	2.8
165.05449	2.5
165.06992	1.5
167.07043	3.9
167.98239	2.5
171.99013	3.8
172.98836	6.6
177.05472	35.7
177.09097	1.3
177.12737	9.4
177.16454	5.8
178.05942	2.4
186.05542	1.3
195.02887	3.3
195.06541	5.0
195.08461	3.3
195.10159	6.0
195.11804	1.6
195.13603	2.4
195.15137	2.7
195.17514	3.0
196.00499	1.7
196.16998	1.7
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
53.03941	4.0
55.01874	4.4
55.05510	17.7
56.96572	4.5
57.03436	7.2
57.07068	3.1
58.23535	0.7
63.74880	0.7
65.03938	4.0
67.05503	72.4
69.03416	2.3
69.07066	19.6
69.96177	1.1
71.01353	2.1
71.04992	7.3
71.34180	2.1
71.34882	0.7
71.94109	1.1
71.95256	2.9
73.02933	1.3
79.05491	47.2
81.03419	22.3
81.07054	100.0
82.07388	2.2
83.04977	20.3
83.08611	12.2
85.02894	1.1
85.06516	4.4
88.37392	0.7
89.03901	1.1
89.06034	3.2
91.04886	1.1
91.05477	31.0
93.07041	65.5
95.04969	10.8
95.08603	38.2
97.06529	15.5
97.10163	2.5
99.04449	1.2
99.08134	3.4
99.08662	0.7
103.05496	1.2
105.04469	1.4
105.06387	1.1
105.07030	12.3
107.04957	4.2
107.08589	32.9
107.21928	0.7
109.02868	3.2
109.06507	5.2
109.10162	5.2
111.08081	6.7
112.96687	0.8
113.06009	1.4
113.09607	1.2
117.03387	1.6
117.07009	13.1
119.08600	3.5
121.06489	7.2
121.10147	14.2
123.08051	2.3
123.09093	0.7
123.11704	1.6
125.05980	0.8
129.07080	0.8
130.97760	1.2
130.98836	0.9
131.08568	15.1
131.96143	2.1
131.97504	1.0
133.02849	2.1
133.10117	18.4
135.04411	3.0
135.08037	5.3
135.11685	28.0
137.09653	1.1
137.13159	2.0
138.95271	0.8
139.07510	1.1
143.05415	2.0
145.02818	3.5
147.11665	1.5
148.97400	1.5
149.06107	1.8
149.09601	3.1
149.13249	23.9
149.31479	0.9
149.97183	10.3
151.11150	3.1
152.05907	5.4
153.09090	1.5
154.56244	1.1
154.97748	2.1
159.11690	20.8
160.11909	1.1
161.06442	2.2
163.03908	28.4
163.56723	3.2
164.04152	1.0
164.68410	0.7
165.06891	0.9
165.16803	0.7
167.14211	0.7
167.98265	1.3
170.86211	0.8
171.98973	1.6
172.98827	5.8
175.07465	0.9
177.05434	8.1
177.09125	1.5
177.12730	12.5
177.16379	2.1
194.88699	0.8
195.00584	0.8
195.02844	2.9
195.06490	2.3
195.08498	2.0
195.10190	1.8
195.11961	1.4
195.13808	28.9
195.15541	1.4
195.17416	1.6
196.00496	1.0
196.16933	1.8
197.04811	0.7
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	Norbisabolide
Peak:m/z	Relative Intensity
53.03944	6.8
55.01864	3.9
55.05511	16.8
56.96562	7.0
57.03427	6.8
57.07064	5.4
65.03937	3.7
67.05511	55.7
69.03415	3.7
69.07074	20.2
69.96155	2.6
71.01332	2.7
71.04992	13.9
71.59489	3.2
71.94083	3.6
71.95263	10.8
79.05497	59.2
81.03423	21.6
81.07060	78.1
83.04981	21.0
83.08622	8.6
85.02921	2.8
85.06565	3.9
89.03890	2.6
89.06031	13.2
91.05485	24.5
93.07043	61.7
95.04971	25.1
95.08612	33.8
97.06551	18.3
97.10147	2.9
98.81348	2.7
99.08087	3.1
100.02499	3.2
105.07026	10.7
107.04951	12.3
107.08601	33.2
109.02865	9.1
109.06522	19.2
109.10161	8.2
111.04464	5.3
111.08088	9.1
112.96725	4.4
113.96438	3.4
117.03381	7.9
117.07039	13.1
119.08558	5.2
121.02878	3.6
121.06523	7.2
121.10138	23.0
123.08099	6.6
125.05984	11.2
130.97839	2.5
130.98872	2.6
131.08569	17.0
131.96161	7.6
131.97394	3.1
133.02859	6.1
133.10133	11.6
135.04414	9.7
135.08038	9.5
135.11705	22.6
137.13286	3.9
139.07565	2.3
139.11130	2.6
145.02846	11.7
148.97357	9.3
149.05962	8.1
149.09636	2.8
149.13248	34.0
149.97224	32.9
152.05957	4.0
153.97905	2.9
154.97739	7.3
159.11670	18.6
163.03912	100.0
164.04228	3.1
165.06981	3.2
167.07091	7.4
167.98212	3.7
171.98985	3.9
172.98825	15.4
177.05470	28.9
177.09125	4.6
177.12769	20.5
177.16397	10.5
195.00642	4.6
195.02896	10.6
195.06543	5.9
195.08430	3.5
195.10143	7.7
195.11763	9.7
195.13812	34.3
195.15579	4.2
196.00319	5.1
196.17026	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	3.4
55.01860	5.7
55.05263	1.3
55.05511	21.5
55.39494	0.9
56.96552	4.2
57.03439	7.7
57.07072	4.5
59.04989	1.0
60.28099	0.9
65.03926	1.9
67.05502	69.3
68.96317	1.1
69.03423	2.5
69.07068	21.8
69.96166	2.9
70.68115	3.6
71.01352	1.3
71.04993	6.2
71.94109	2.5
71.95260	3.3
76.05764	1.0
79.05489	46.3
81.03416	17.8
81.07054	100.0
83.04980	29.9
83.08620	12.4
85.06532	4.7
87.04451	1.3
89.03880	1.7
89.06041	4.8
90.48056	0.9
91.05478	35.0
93.07042	72.9
94.07308	1.0
95.04964	13.5
95.08601	45.0
97.06535	18.3
99.08080	2.9
100.02477	1.8
100.23115	1.0
105.07034	11.6
107.04969	4.8
107.08593	28.3
109.02856	4.7
109.06514	6.1
109.10143	6.2
111.04418	1.4
111.08092	8.4
113.05997	1.6
113.96400	1.3
117.03361	3.5
117.07011	15.5
118.03506	1.7
119.08562	4.4
121.06494	8.2
121.10142	15.5
123.08084	1.6
123.11681	2.1
125.09599	1.7
130.97760	2.0
131.08563	16.9
131.96140	4.0
131.97386	0.9
133.02837	4.4
133.10124	16.3
135.04436	4.9
135.08057	6.6
135.11682	26.2
137.13216	2.3
139.11176	1.3
143.05392	1.7
145.02840	5.5
147.11655	1.3
148.97353	1.5
149.05983	2.2
149.09596	3.4
149.13255	23.0
149.97200	16.9
151.11203	2.7
152.05936	2.2
153.09193	1.2
154.97771	2.8
159.11693	20.3
161.06454	1.1
163.03893	44.6
163.56709	1.3
164.04204	1.3
167.98141	2.3
171.98964	1.6
172.98814	10.4
177.05460	10.1
177.12747	13.0
177.16356	3.6
180.09392	1.4
195.02904	3.9
195.06581	2.4
195.08592	2.3
195.10162	2.6
195.11755	3.9
195.13809	29.4
195.15675	2.6
195.17505	2.8
196.00424	2.6
196.16975	1.7
204.87772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.19319	1.5
53.03942	5.4
55.01863	3.1
55.05511	13.2
56.96570	11.1
57.03432	5.3
57.07064	5.2
67.05168	2.8
67.05508	40.3
67.05862	2.4
67.77367	1.7
68.96336	2.0
69.03432	3.1
69.07071	12.6
69.79295	4.4
69.79713	6.9
69.96165	2.4
70.94254	2.5
71.01369	2.7
71.04984	5.2
71.94110	4.4
71.95268	6.2
72.93790	2.1
75.39675	1.6
77.03903	2.2
79.05492	30.2
81.03430	15.1
81.06573	3.2
81.07061	59.7
83.04974	10.0
83.08635	9.4
85.02849	2.2
85.06532	3.3
87.04458	2.3
87.48833	1.7
89.03893	5.5
89.06038	9.7
91.05496	20.3
93.07046	40.6
95.04977	10.3
95.08604	29.6
95.09161	2.7
97.06530	10.9
97.10199	2.4
99.04442	3.5
99.08098	3.9
100.02467	2.7
100.45097	1.7
103.05438	2.8
105.04511	3.0
105.07033	7.8
107.04951	24.6
107.08602	26.0
109.02875	7.2
109.06530	4.1
109.10165	7.4
111.08080	4.9
113.05972	3.4
115.05414	2.7
117.03363	8.5
117.07004	7.6
118.03468	2.9
119.08555	4.4
121.06479	3.0
121.10170	14.9
123.08047	2.5
125.05986	2.1
130.96352	1.8
131.08582	9.3
131.96135	7.5
131.97440	3.2
133.02859	6.9
133.06526	2.8
133.10106	7.1
135.04443	14.5
135.08095	4.2
135.11708	25.1
137.13264	3.1
138.06763	2.5
145.02856	24.0
145.03967	2.8
148.97357	10.9
149.01285	3.3
149.05959	8.6
149.09644	5.1
149.13269	17.1
149.97209	25.8
153.05508	2.5
153.09103	1.6
153.97899	3.6
154.97765	5.5
154.98993	2.8
159.11723	13.2
163.03917	100.0
163.07523	7.0
164.04266	3.8
165.06999	4.7
167.07130	3.2
167.08481	4.2
167.98250	3.1
171.98964	8.0
172.98817	14.1
174.07999	2.6
177.05479	32.0
177.09108	5.6
177.12781	13.1
177.16406	6.3
180.09361	5.6
185.58772	2.8
193.09930	1.9
195.02914	4.6
195.06612	9.2
195.08278	4.0
195.10146	7.8
195.11737	18.2
195.13800	11.2
195.15578	3.4
195.17419	3.4
196.00523	2.3
196.17021	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	195.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.01868	4.5
55.05511	10.3
56.96560	7.1
57.03438	5.2
57.07072	8.2
65.03938	3.9
67.05508	32.3
69.03443	4.6
69.07069	13.1
69.96169	5.7
70.06612	2.1
71.01357	3.8
71.04996	4.9
71.21578	1.7
71.40150	4.0
71.94119	1.9
71.95267	6.2
72.93785	3.3
79.05490	28.0
80.05852	2.4
81.03419	25.9
81.06580	3.6
81.07055	47.2
81.07520	3.1
82.07403	2.3
83.04993	11.8
83.08628	8.9
85.02911	3.0
85.06544	3.4
87.04413	1.8
89.03911	6.0
89.06037	8.1
91.05487	18.5
93.07052	32.1
95.04977	12.1
95.08601	18.5
96.36097	1.7
97.06538	6.7
100.02492	4.7
103.05462	5.0
105.07042	9.2
106.04185	1.9
107.04272	3.2
107.04968	32.3
107.08588	18.3
109.02899	8.2
109.06544	4.3
109.10175	4.4
109.98952	2.2
111.04425	1.8
111.08079	5.0
113.96400	2.9
115.05510	1.9
117.03380	15.3
117.07019	5.3
119.08607	3.3
119.43321	1.7
121.06534	4.7
121.10146	13.8
123.08081	2.4
123.11680	3.0
125.05973	2.5
130.96277	2.4
130.97801	3.0
131.08578	7.9
131.96162	10.6
133.02858	6.9
133.10170	9.6
134.03633	2.2
135.04431	19.6
135.08110	9.8
135.11665	14.7
136.58046	3.8
137.05988	3.6
137.13278	6.2
145.02852	29.5
145.58585	4.5
148.97363	11.4
149.05981	12.8
149.09610	5.3
149.13216	10.3
149.97195	37.0
151.11147	2.0
151.58597	4.3
153.05479	2.1
153.09164	3.5
153.97905	2.2
154.06346	1.9
154.97763	5.0
159.11763	12.0
160.59108	4.4
163.03903	100.0
163.07585	6.0
164.04153	3.2
167.07047	8.6
167.08461	2.7
167.98259	5.8
171.98946	4.0
172.98828	20.8
177.05470	46.5
177.12675	8.9
177.16394	10.3
186.05473	3.5
195.01257	1.8
195.02849	9.1
195.06503	5.7
195.08209	6.0
195.10178	10.6
195.11856	5.4
195.13835	13.1
195.15619	3.7
195.17491	2.8
196.00468	5.5
196.06172	2.3
196.17021	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	4.4
55.01865	5.8
55.05507	15.5
56.96547	4.4
57.03424	4.8
57.07061	3.9
65.03932	4.1
67.05502	55.4
68.96306	1.8
69.01319	1.3
69.03408	4.9
69.07070	15.4
69.96181	3.1
70.66735	1.3
70.73368	4.0
71.01366	1.6
71.04986	9.2
71.94077	1.5
71.95238	4.1
73.79446	1.3
79.05492	46.0
81.03421	31.4
81.07054	100.0
83.04982	21.0
83.08617	11.6
84.08120	1.2
85.02906	3.3
85.06524	4.9
87.04454	2.3
89.03905	9.0
89.06013	6.2
91.05476	30.7
93.07039	62.4
95.04962	14.5
95.08604	47.4
97.06525	13.7
97.10170	2.2
99.04481	2.3
99.08075	3.0
101.27186	1.4
102.50420	1.3
103.05469	3.5
105.04506	1.7
105.07037	15.1
106.13824	1.4
107.04953	33.7
107.08587	33.3
109.02873	11.8
109.06509	7.7
109.10129	5.2
111.04447	2.5
111.08062	6.6
113.96385	1.9
117.03383	19.3
117.07021	13.8
117.46722	1.7
118.03507	1.9
119.04945	1.9
119.08583	4.4
121.06495	8.3
121.10152	16.6
123.08081	3.5
123.11687	2.0
125.06022	2.5
125.09657	1.6
130.96330	1.5
130.97791	1.8
131.01860	1.9
131.08563	14.0
131.96144	6.6
131.97406	3.2
133.02820	10.0
133.06430	3.9
133.08568	2.1
133.10118	15.4
134.03629	3.6
134.06850	1.5
134.44495	1.4
135.04422	17.0
135.08022	9.4
135.11681	34.2
137.05923	3.3
137.13225	5.7
138.06671	2.1
139.03880	1.8
139.07547	1.7
139.11195	2.0
143.24626	1.4
145.02821	33.3
145.06789	1.7
148.97337	5.6
149.05977	9.6
149.09645	4.8
149.13242	19.6
149.97198	24.5
150.06255	1.4
151.11163	1.9
153.05450	3.5
153.97847	2.5
154.06261	1.5
154.97757	5.2
159.11696	17.1
162.03166	1.7
163.03902	100.0
163.07552	7.2
164.04170	2.6
165.05544	2.4
165.07001	3.2
167.07053	8.2
167.08420	2.9
167.98233	4.7
168.13858	5.6
171.98940	4.3
172.98793	11.9
177.05467	53.7
177.09000	2.2
177.12743	14.8
177.16365	8.6
178.05928	2.5
180.09322	2.9
186.05571	2.9
195.00591	1.4
195.02892	7.2
195.06548	8.6
195.08382	5.0
195.10144	8.7
195.11736	10.6
195.13794	27.9
195.15446	2.1
195.17520	4.0
196.00383	4.4
196.16968	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
53.03938	4.6
55.01863	6.9
55.05265	2.0
55.05512	18.4
55.75046	1.5
56.96566	30.6
57.03444	8.0
57.07064	2.4
65.03934	3.3
67.05506	62.5
69.03415	4.3
69.04557	4.3
69.07072	16.8
69.96175	3.0
71.01339	1.6
71.04984	8.6
71.58817	2.2
71.94116	2.4
71.95258	7.2
72.93785	2.0
74.45689	1.3
78.61766	1.4
79.05061	3.3
79.05496	43.8
81.03426	17.5
81.07060	100.0
83.04993	11.5
83.08618	10.4
85.06530	4.8
89.03918	2.4
89.06015	9.5
91.05482	26.6
93.06466	3.0
93.07045	52.1
95.04961	13.2
95.08609	37.3
97.06529	10.1
99.08090	1.7
100.02476	3.1
103.05495	3.3
104.03123	3.4
105.03387	1.6
105.07047	11.0
107.04963	11.2
107.08600	29.8
108.03339	2.6
109.02894	7.9
109.06513	6.8
109.10143	4.8
109.98988	1.7
110.03139	1.5
111.04436	2.5
111.08079	6.5
112.96703	2.0
113.06012	2.3
113.96409	2.5
117.03294	4.7
117.03902	6.1
117.07010	9.8
118.03503	2.4
119.08572	4.4
121.04115	3.4
121.06514	3.3
121.10155	16.6
123.08061	2.2
123.11735	1.8
124.04647	1.8
125.06031	1.9
125.09645	2.2
126.04398	2.5
128.54626	2.3
129.07080	1.5
130.04640	11.8
130.97760	2.8
131.08556	10.6
131.96144	8.5
131.97365	3.8
133.02859	5.6
133.08614	1.9
133.10135	11.7
134.03627	2.7
135.04408	8.7
135.08073	5.5
135.11710	29.8
137.13202	2.6
139.03871	2.4
139.12277	2.0
141.55420	2.3
143.05460	5.7
145.02861	13.7
146.06688	2.3
148.97343	5.3
149.01224	1.9
149.05991	6.5
149.07117	2.2
149.09648	3.8
149.13269	18.6
149.97205	25.3
151.11212	2.0
153.09096	3.4
154.97758	4.4
155.07236	7.0
158.05968	1.8
159.03241	2.0
159.11688	17.5
162.03079	1.5
163.03914	71.2
163.07567	2.3
164.04266	2.0
164.07768	5.7
165.07155	3.8
166.58173	2.2
167.07097	2.0
167.08542	2.1
167.98216	4.9
171.98973	4.1
172.98813	17.2
174.08087	7.9
174.58203	1.7
175.58559	1.5
177.05505	21.7
177.09160	2.0
177.12711	10.5
177.16402	9.6
180.09366	3.6
183.08559	22.9
183.58720	4.4
185.58788	3.8
186.08981	2.2
192.09105	2.5
194.59361	6.9
195.02925	7.2
195.06500	5.1
195.08482	2.2
195.10085	5.3
195.11768	10.8
195.13829	19.0
195.15552	2.4
195.17416	2.4
196.00391	5.2
196.17053	3.2
203.05862	2.5
206.10159	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0864
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
50.45685	1.4
51.85524	1.8
53.03946	6.7
57.03425	2.3
60.41282	1.6
64.29935	1.7
69.03429	9.0
71.04987	6.5
71.57968	2.4
73.02914	1.8
75.04489	2.8
76.62076	1.5
81.03423	100.0
85.02914	7.6
85.06538	2.3
87.04463	4.9
91.32700	1.4
95.04970	2.1
99.04440	5.3
99.80582	1.6
109.02884	79.5
113.06007	10.4
122.89979	1.5
127.03920	5.5
137.01831	1.7
141.05452	5.2
148.58575	1.6
149.97261	1.8
159.06569	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	195.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.0
53.25437	0.7
55.01879	1.1
55.05511	1.7
56.96568	4.9
57.03439	4.0
57.07088	0.8
59.04987	1.0
60.04521	1.7
61.02930	0.9
63.60393	0.9
65.92394	0.9
67.05496	1.7
67.50935	0.7
68.96335	1.0
69.03436	9.6
69.07076	0.9
69.96178	8.4
70.06606	1.8
70.73046	2.7
71.05005	6.1
71.94106	2.8
73.02921	2.4
75.04477	2.0
79.05518	1.7
81.03424	100.0
81.07068	1.3
83.04984	1.5
84.04519	0.9
84.08138	2.2
85.02917	9.0
85.06556	2.0
87.04497	4.5
89.06046	1.4
89.95161	0.8
91.05488	1.1
93.07040	1.7
95.04975	2.6
95.08627	0.8
97.02902	2.9
98.03706	1.1
98.97607	4.4
99.04478	4.3
102.67651	0.8
107.04970	2.3
107.08642	1.0
107.84492	0.8
109.02888	63.6
109.98924	1.2
110.98801	1.5
111.04497	2.1
111.08092	1.0
111.95991	0.7
113.06007	6.1
113.95089	1.6
115.03970	1.2
116.98631	4.3
117.03408	0.9
120.02587	1.3
121.10201	1.3
123.06817	0.8
127.03931	5.1
127.43850	0.8
129.10262	1.2
130.96330	1.2
131.08508	1.0
131.96158	26.8
132.04480	1.9
134.05998	0.8
134.99651	3.2
135.04453	1.9
135.11708	1.4
136.03928	2.4
136.93193	0.9
137.02351	43.2
138.06596	0.8
141.05478	6.3
142.95593	0.8
146.99673	0.9
148.97371	2.6
149.01236	1.4
149.06012	2.2
149.97212	64.9
152.07047	1.2
153.05473	1.8
153.97958	1.2
154.94199	2.2
154.97746	14.7
158.99686	1.5
159.06538	3.7
161.01175	0.8
163.03929	4.8
164.03444	2.3
167.98291	6.9
168.06593	2.6
170.57063	0.8
171.98991	3.4
172.95271	3.9
172.98814	32.6
177.00710	1.9
177.05515	2.4
177.16386	1.0
183.04190	2.8
184.04906	1.3
190.96307	5.2
190.99895	0.9
192.04665	1.1
195.02962	1.8
195.06418	1.3
195.10197	1.3
196.00465	2.1
196.06027	7.4
196.09752	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03948	0.9
55.01874	1.1
55.05519	2.8
56.96575	0.4
57.03428	0.4
57.07068	1.3
63.02363	0.5
65.03942	0.8
67.05505	4.0
69.03426	1.3
69.07066	3.5
70.75658	1.3
71.05000	1.5
71.94099	0.6
71.95235	0.7
78.04710	0.4
79.05487	3.7
81.03419	5.9
81.07063	6.3
83.04976	0.8
83.08621	1.6
85.06531	0.9
89.03916	17.2
89.06030	2.1
91.05482	4.2
93.03374	0.6
93.07034	5.4
95.04965	1.8
95.08606	5.1
97.06514	1.1
97.10171	1.1
99.08087	5.1
99.31269	0.4
103.05479	1.4
105.07039	1.7
106.04166	1.3
107.04964	6.2
107.08598	4.9
109.02876	3.4
109.06499	1.0
109.10152	2.1
109.98952	0.5
111.04430	0.9
111.08077	2.7
113.09669	0.4
117.03382	34.7
117.06982	0.6
119.08566	0.5
121.02908	0.5
121.06490	1.6
121.10136	5.0
123.04465	0.4
123.11717	1.0
124.05197	0.7
125.05965	1.1
125.09659	1.2
130.96292	0.6
131.04860	0.5
131.08559	0.5
131.96181	1.0
133.10155	0.9
134.03635	6.7
135.04419	8.6
135.08061	1.6
135.11676	3.1
137.13277	2.7
139.11201	0.6
141.05428	0.6
145.02847	68.3
146.03119	0.6
148.97345	1.8
149.01154	0.4
149.05983	18.5
149.09567	0.8
149.13281	1.4
149.97203	2.4
151.07599	0.6
151.11131	0.4
153.05473	2.2
153.09065	0.6
154.97777	0.8
158.06039	0.8
159.11711	0.7
162.03139	1.9
163.03905	14.8
165.05452	0.6
165.06972	0.4
167.07010	1.5
167.98228	0.6
171.98929	1.6
172.98804	1.0
177.05472	100.0
177.16377	5.3
178.05823	1.1
180.09273	0.6
186.05498	3.6
195.02882	1.6
195.06519	3.1
195.08257	0.7
195.10155	2.1
195.11745	0.9
195.13701	1.9
195.15736	0.9
195.17450	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.02379	0.5
53.03949	1.1
55.01873	1.8
55.05515	5.0
55.89133	0.4
56.96568	1.3
57.03438	0.4
57.07074	1.1
63.02380	0.5
65.03928	0.6
67.05510	3.4
69.03430	1.4
69.07072	7.7
69.93832	0.5
69.94231	2.0
71.04996	2.2
71.94086	0.5
71.95265	0.5
77.03928	0.5
78.04720	0.5
79.05499	4.8
81.03425	5.7
81.07069	9.7
83.04984	1.0
83.08627	3.3
85.02899	0.5
85.06541	1.9
89.03919	17.8
89.06038	1.9
91.05489	3.8
93.07042	7.8
95.04977	2.0
95.08610	13.2
97.06524	1.0
97.10150	2.2
99.08096	8.6
100.02471	0.5
103.05483	1.8
105.07031	1.7
106.04182	1.1
107.04955	7.2
107.08597	9.8
109.02893	3.0
109.06552	0.5
109.10152	3.9
109.98922	0.4
111.04473	1.2
111.08088	5.1
111.11738	0.5
112.96750	0.5
113.06016	0.5
113.09666	2.0
115.71638	0.4
117.03384	35.6
117.07034	0.4
118.03598	0.4
121.02886	0.5
121.06521	1.6
121.10152	15.5
123.08067	0.6
124.05237	0.6
125.05991	0.9
125.09641	2.5
128.00037	0.6
130.96272	0.6
130.97783	0.4
131.08562	0.6
133.02869	0.9
133.04166	0.5
133.10172	0.5
134.03648	6.3
135.04428	8.7
135.08066	1.3
135.11700	5.0
135.36148	0.4
137.06023	0.8
137.09627	0.5
137.13269	5.3
139.03928	0.4
139.11169	1.3
141.05537	0.5
142.04651	0.4
145.02850	70.1
148.97368	1.8
149.05988	17.2
149.09537	1.0
149.13277	1.5
149.97188	1.7
151.05119	0.9
153.05464	1.1
153.97887	0.4
154.06287	0.5
158.06102	1.0
159.11673	0.8
160.05621	0.5
162.03133	1.7
163.03915	13.3
163.05231	0.9
163.07561	0.9
165.05559	0.7
165.06975	0.6
167.07036	1.5
167.08389	0.5
171.98923	1.9
172.98808	0.8
177.05475	100.0
177.12766	1.1
177.16388	24.6
178.05901	0.8
180.09438	0.4
186.05530	4.2
195.02922	1.3
195.06531	2.4
195.08507	1.0
195.10168	1.2
195.11719	0.8
195.13774	1.2
195.15717	1.1
195.17390	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	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03954	0.4
54.03487	0.3
55.01859	0.4
55.05515	1.5
57.03461	0.2
57.07074	0.3
58.61047	0.2
60.82373	0.3
63.02389	0.6
67.05507	1.6
68.96341	0.4
69.03421	0.5
69.07072	2.6
70.06007	0.5
70.06425	1.1
71.01337	0.3
71.04995	0.6
73.43536	0.3
78.04734	0.6
79.05503	2.2
81.03426	2.1
81.07063	4.4
83.04995	0.7
83.08640	0.9
85.06551	0.9
89.03922	16.7
91.05482	2.5
93.07053	3.0
95.04977	1.0
95.08612	3.8
97.06536	0.7
98.56860	0.3
99.08090	1.1
99.63538	0.3
103.05476	0.9
105.03393	0.3
105.07046	0.7
106.04184	1.9
107.04986	2.4
107.08608	3.2
107.10088	0.3
109.02892	1.1
109.06499	0.6
109.10130	1.6
111.04462	0.6
111.08086	0.6
113.09653	0.3
117.03385	36.8
119.04965	0.5
119.08617	0.4
121.06498	1.8
121.10151	4.5
124.05193	0.5
125.09653	0.9
131.00201	0.3
131.96101	0.5
133.02809	0.4
133.06535	0.4
133.10143	0.9
134.03641	6.3
135.04425	5.8
135.08090	0.4
135.11668	1.6
137.13231	1.9
145.02850	70.8
146.03183	0.6
147.04416	0.3
148.97394	0.5
149.05989	18.7
149.09564	0.6
149.13263	0.8
149.97208	0.7
153.05467	0.9
153.84547	0.3
158.06006	0.7
159.11717	0.9
162.03113	1.5
163.03915	8.6
163.05241	0.6
163.07562	0.5
167.07103	0.4
171.98979	0.6
177.05476	100.0
177.16386	4.7
178.05840	0.9
184.96992	0.3
186.05547	3.0
195.02893	0.5
195.06505	2.2
195.10149	1.0
195.11757	0.3
195.13788	0.7
195.17464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.17831	0.4
53.03944	0.8
55.05522	1.2
57.07069	0.6
67.05507	0.8
69.03419	0.6
69.07081	0.9
70.00394	1.8
70.00809	1.0
70.72429	0.5
79.05501	1.7
81.03412	2.6
81.07053	2.2
85.06585	0.5
89.03922	15.8
89.06039	0.7
91.05470	2.6
93.07037	2.2
95.04979	1.4
95.08595	1.8
98.21429	0.6
99.08074	0.7
103.05489	0.7
105.07038	0.6
106.04191	1.3
107.04968	2.3
107.08590	2.0
109.02892	2.7
109.10159	0.7
117.03387	35.3
118.99028	0.5
121.06485	1.1
121.09344	0.5
121.10166	2.0
134.03662	4.5
135.04431	7.3
135.11681	1.0
137.13280	0.9
145.02852	68.8
146.03177	1.0
149.05994	16.4
151.03932	0.5
151.07530	1.2
153.05444	1.9
162.03134	1.8
163.03915	9.2
165.05292	0.5
171.98967	1.1
177.05479	100.0
177.16380	2.0
177.50208	0.5
178.05806	1.0
180.04338	0.6
186.05573	2.6
193.38847	0.4
195.02876	0.8
195.06528	2.4
195.10271	1.1
195.17499	1.0
204.35234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0655
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.01509	0.9
53.03939	2.2
55.01854	2.7
55.05297	0.8
55.05513	6.6
56.96565	8.5
57.03434	1.5
57.07063	3.7
60.27608	0.9
65.03936	1.3
67.05506	7.1
68.96335	0.9
68.99791	7.8
69.03410	2.9
69.07066	11.0
70.06583	1.1
70.13301	0.8
70.94246	0.8
71.04983	4.3
71.58393	0.9
71.58789	1.2
71.95282	0.8
77.04001	0.8
78.04718	0.9
79.05499	10.1
81.03420	21.0
81.07061	21.3
83.04979	2.6
83.08620	6.9
85.02886	2.0
85.06528	3.6
85.10168	1.9
87.04478	1.1
89.03920	16.6
89.06024	4.7
91.05482	8.6
93.07053	14.3
95.01325	4.6
95.04980	6.1
95.08607	20.3
97.06507	2.7
97.10164	2.6
99.04477	1.3
99.08102	6.2
103.02310	3.1
103.05452	2.2
105.04459	1.0
105.07021	4.4
106.04160	1.3
107.04292	1.3
107.04958	18.1
107.08600	24.9
109.02892	11.5
109.06518	2.4
109.07700	1.1
109.10155	7.5
109.98892	1.1
111.04453	1.8
111.08101	5.1
112.96745	1.1
113.06036	1.1
113.09668	1.3
117.03380	34.5
117.06987	1.5
119.08577	3.2
121.06493	5.0
121.10146	25.1
123.08058	1.6
123.11679	3.3
125.06018	1.8
125.09648	8.5
127.99963	1.3
128.04938	1.1
130.96300	2.1
131.04922	1.3
131.08551	2.7
131.96179	1.4
133.02843	1.9
133.06479	1.5
133.07582	0.9
133.08626	0.9
133.10104	1.9
134.03619	5.6
134.04837	1.2
135.04437	10.6
135.08063	4.9
135.11707	12.7
136.05081	1.2
137.06023	1.9
137.09691	1.2
137.13261	20.8
138.06609	1.0
139.03874	1.2
139.07611	1.1
139.11234	1.4
143.05415	12.6
145.02850	65.2
148.97398	5.5
149.05998	22.1
149.09602	4.7
149.13255	5.3
149.97200	5.1
151.03931	1.5
152.05943	9.4
153.05463	3.8
153.09113	17.6
153.97887	2.2
154.56178	3.0
154.97701	1.1
158.06026	1.2
159.11685	2.9
162.03107	1.3
163.02544	1.6
163.03911	27.2
163.07556	2.5
163.56746	1.8
165.05481	8.8
165.06941	1.6
167.07001	4.0
171.98965	5.1
172.98781	3.2
175.02858	1.2
177.05479	100.0
177.09016	2.8
177.12807	2.6
177.16382	33.5
178.05838	0.9
186.05544	3.4
190.54678	1.0
195.02885	5.8
195.06613	6.9
195.08420	2.7
195.10185	10.3
195.11754	2.4
195.13782	2.8
195.15720	2.3
195.17392	11.3
207.37186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03967	0.5
54.12927	0.3
55.01869	0.6
55.05519	0.8
56.96552	0.5
57.03447	0.4
57.07086	0.6
57.33184	0.4
58.40218	0.3
63.02381	0.4
65.03934	0.6
67.05509	2.0
69.03424	0.6
69.07066	2.2
69.72326	0.9
69.72733	2.2
71.04986	1.0
71.95246	0.4
78.04728	0.4
79.05496	2.0
81.03424	3.3
81.07060	3.6
81.75947	0.3
83.08625	1.0
85.02916	0.6
85.06548	0.4
89.03922	17.3
89.06031	0.8
91.05492	2.6
93.07041	2.8
95.04979	1.5
95.08614	4.5
97.06544	0.7
97.10175	0.6
98.20804	0.8
99.08105	1.0
103.05499	1.0
105.07009	0.7
106.04188	0.9
107.04977	2.8
107.08600	3.1
109.02867	2.2
109.10175	1.1
109.37884	0.4
111.04457	0.9
111.08142	0.4
113.96437	0.4
117.03386	38.7
118.03727	0.4
118.74335	0.4
121.06519	1.1
121.10166	3.8
123.08079	0.4
123.11729	0.5
125.05980	0.7
125.09604	0.7
130.96436	0.3
131.96140	0.5
134.03651	5.8
135.04427	7.5
135.08035	0.7
135.11685	2.3
137.05389	0.4
137.13254	1.4
138.06584	0.4
139.07542	0.4
142.04593	0.5
145.02853	75.7
146.03220	1.3
148.97362	1.3
149.05992	19.0
149.13252	0.6
149.97189	0.7
151.03918	1.4
151.05070	0.7
151.07539	0.6
153.05496	1.4
153.97900	0.5
158.05992	0.4
162.03116	2.3
163.03926	11.1
163.05228	0.7
163.07507	0.6
167.06992	0.7
171.98938	0.6
177.05481	100.0
177.16364	3.7
178.05846	1.3
186.05496	2.7
195.02901	0.8
195.06548	2.5
195.08192	0.5
195.10262	0.9
195.11865	0.4
195.13812	0.5
195.15742	0.4
195.17465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03947	2.1
55.05513	9.4
57.07062	3.8
59.04987	2.8
61.37596	1.2
67.05499	9.6
69.03426	3.5
69.07069	16.8
69.67231	7.4
69.67644	2.2
71.04992	10.6
76.21819	1.3
79.05503	8.5
81.03417	2.9
81.07056	27.0
83.04975	2.8
83.08598	3.8
85.06531	4.2
91.05479	14.3
93.07046	29.8
95.04967	5.2
95.08608	47.1
97.06548	4.1
97.10140	1.3
98.21519	1.4
99.08083	7.1
103.05468	1.4
105.07028	33.6
107.08595	56.2
108.03452	1.2
109.06524	10.5
109.10158	23.0
111.08073	2.5
113.09636	4.5
115.05444	2.1
117.07037	1.6
118.04161	1.4
119.08582	64.3
121.10143	16.2
123.08070	14.8
123.11711	13.3
125.09585	2.0
131.08571	2.0
133.02831	1.6
133.06479	7.0
133.10135	100.0
135.11693	73.6
137.09618	12.5
145.10086	2.4
147.11684	9.8
149.13246	5.2
149.94168	1.2
151.11160	6.5
151.14859	3.2
161.06026	7.4
165.12701	1.6
166.19850	1.5
175.14832	93.5
176.15118	2.5
178.02612	2.8
193.04996	11.5
193.08664	6.7
193.12265	3.0
193.15895	59.4
212.57790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.28315	0.3
53.03944	0.6
55.01863	0.4
55.05506	0.4
56.58116	0.3
63.02370	0.8
67.05505	0.8
69.03426	0.6
69.07070	0.9
71.04990	0.8
71.25047	0.7
78.04720	0.8
79.05485	1.3
81.03418	3.7
81.07056	1.7
83.04990	0.3
83.08617	0.8
85.02934	0.4
85.27987	0.4
88.78989	0.3
89.03919	19.2
89.06045	0.9
91.05480	2.3
93.07043	1.7
95.04965	1.1
95.08582	1.8
97.10173	0.4
99.04469	0.3
99.08079	0.7
103.05457	1.5
105.07086	0.8
106.04172	1.0
107.04952	2.4
107.08570	1.8
109.02877	2.5
109.10178	0.8
111.04429	0.8
111.08031	0.6
113.06022	0.4
117.03383	37.2
119.04951	0.8
119.08633	0.7
121.06507	1.2
121.10138	1.6
124.05178	0.4
125.05961	0.7
125.09617	0.9
130.96344	0.4
131.08617	0.5
134.03632	6.2
134.53224	0.3
135.04436	6.7
135.08051	0.7
135.11681	1.8
137.06006	0.4
137.09598	0.4
137.13330	0.7
145.02849	75.2
146.03183	1.0
148.97365	1.1
149.05983	19.5
149.09644	0.4
149.97162	0.4
150.06364	0.5
153.05444	2.2
153.97923	0.7
157.87836	0.4
162.03116	2.3
163.03920	10.8
163.07561	0.4
167.07059	0.7
170.53705	0.3
171.98941	0.7
173.28708	0.3
177.05475	100.0
177.16425	2.3
178.05841	0.9
186.05495	3.5
195.02884	0.7
195.06589	2.0
195.08240	0.7
195.10217	0.8
195.11823	0.4
195.13809	0.7
195.17453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.8
57.03426	3.4
57.07060	7.0
67.05512	25.6
69.03416	8.2
69.07056	17.7
70.63079	2.6
71.04984	8.3
71.08634	2.8
71.24268	3.7
71.24593	3.6
74.37678	2.6
79.05488	12.6
81.03400	8.3
81.07061	29.3
83.04969	10.3
83.08598	11.3
85.06536	7.3
91.05481	14.8
93.07043	26.7
95.04970	27.6
95.08044	4.2
95.08607	50.8
97.06573	3.0
97.10127	3.1
99.08083	5.3
105.07034	37.4
107.04988	2.4
107.08601	46.3
109.06525	23.6
109.10162	80.3
111.08075	5.6
119.08578	66.8
121.10149	70.9
123.08072	37.5
123.11729	26.2
131.08534	4.1
133.06467	8.5
133.10135	71.5
135.11685	56.5
137.09612	42.6
137.13220	6.3
138.10379	2.5
139.11179	2.8
147.11688	11.4
149.13264	46.2
151.11195	8.6
151.14828	18.7
157.16762	2.3
161.05977	7.0
165.16408	8.4
175.14839	72.3
177.08012	2.5
178.02612	4.8
179.05835	3.1
193.05031	13.6
193.08571	8.0
193.15887	100.0
194.04378	3.4
194.08109	20.6
194.16185	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	193.1588
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03931	2.7
55.01857	2.3
55.05262	1.5
55.05510	20.5
56.96542	1.1
57.03438	5.3
57.07074	7.7
59.04998	2.1
61.17745	1.0
64.58567	0.8
65.03930	2.3
65.23405	1.0
67.05505	30.4
69.03431	41.5
69.06721	1.7
69.07068	25.3
69.65138	4.6
69.65549	1.7
71.04993	12.7
71.08616	2.4
79.05076	0.9
79.05489	13.6
81.03416	12.9
81.07058	34.8
83.04987	11.0
83.08618	14.5
85.06547	9.7
91.04960	1.6
91.05479	16.6
93.07043	36.0
94.75668	0.9
95.04969	27.5
95.08607	60.1
97.06545	6.5
97.10163	4.7
99.08086	5.7
103.05441	3.8
104.48339	1.1
105.07031	41.5
107.04952	2.8
107.08593	53.4
108.08903	1.9
109.06517	25.7
109.10155	77.3
110.10495	1.0
111.04459	2.0
111.08088	9.8
115.05478	2.2
117.07012	2.0
118.04138	1.4
119.08582	65.4
121.06502	1.8
121.10145	64.9
122.10517	1.2
123.08063	35.2
123.11708	26.0
125.09592	2.2
129.06989	2.1
131.04881	1.0
131.08577	4.1
133.02849	3.3
133.06502	14.2
133.10130	72.4
134.10460	2.1
135.08046	1.9
135.11691	59.0
136.12071	1.1
137.05968	1.4
137.09616	36.6
137.13246	5.5
138.10344	3.3
139.03899	1.0
139.11157	2.7
145.10100	3.6
147.04378	2.1
147.08009	2.1
147.11676	14.1
149.02361	1.9
149.05981	1.3
149.09677	1.1
149.13263	39.4
150.13588	1.5
151.11182	8.1
151.14816	12.4
157.10149	2.7
157.51518	1.1
160.12463	1.5
161.02298	1.2
161.05977	11.8
165.05493	1.7
165.09082	1.3
165.12650	1.6
165.16409	8.7
175.07642	1.5
175.11226	3.3
175.14822	85.6
176.15132	2.3
178.02556	3.2
193.04982	11.9
193.06615	1.5
193.06920	1.4
193.08600	11.3
193.12312	5.8
193.15881	100.0
194.16315	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.1
55.01859	6.7
55.05514	23.7
56.30313	3.4
56.96557	3.9
57.03457	3.9
57.07077	9.3
59.05001	4.1
62.22261	3.1
64.95335	3.0
67.05508	43.8
67.17412	3.5
69.03436	14.2
69.07076	15.9
70.06625	3.5
70.39980	14.0
71.04992	11.7
77.70609	3.2
79.05498	22.1
81.03424	22.0
81.07057	33.3
83.04978	10.2
83.08615	8.7
85.06553	16.4
87.27824	3.3
91.05469	17.7
93.07048	25.5
95.04970	28.9
95.08604	56.9
97.10200	3.6
99.08102	35.9
105.07034	64.7
107.04956	4.7
107.08598	41.3
109.06541	20.0
109.10162	81.5
111.04482	3.6
111.08072	8.2
115.05527	5.7
119.04928	3.7
119.08578	62.0
121.10152	50.9
123.04448	15.5
123.08071	28.9
123.11714	18.5
129.07042	9.0
131.04953	3.7
133.02849	5.6
133.06503	33.0
133.10136	59.1
135.11687	41.7
137.05940	5.2
137.09618	46.5
137.13298	4.7
147.04413	5.4
147.08026	21.3
147.11682	12.8
149.13246	29.8
151.07484	4.0
151.11203	10.4
151.14833	11.4
160.05209	7.8
161.06010	28.5
165.16438	4.2
175.07562	16.2
175.11295	6.4
175.14819	70.1
178.02615	5.3
178.06389	3.7
193.04970	22.2
193.08604	26.2
193.10435	5.6
193.12331	8.6
193.15884	100.0
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
50.02774	2.8
55.05509	19.1
57.07075	4.3
59.05005	3.4
65.03939	3.4
67.05502	18.6
69.03439	10.2
69.07069	41.3
70.51466	13.7
71.05007	15.7
71.39058	2.6
72.41644	2.9
79.05491	15.6
80.06900	3.1
81.03425	4.4
81.07061	33.2
83.04983	12.4
83.05450	3.1
83.08624	3.9
85.06570	7.6
91.05495	13.6
93.07051	33.8
95.04971	35.8
95.08606	32.3
97.10164	7.8
99.08099	6.6
102.26960	2.5
103.05463	5.2
105.07035	35.3
107.08601	37.2
107.61211	2.8
109.06513	91.9
109.10162	30.5
111.04456	7.3
111.08057	4.9
111.11714	3.4
115.05455	7.0
118.37405	2.9
119.08584	38.6
121.10159	11.8
123.04414	6.9
123.08078	12.3
123.11706	26.6
129.05501	6.0
133.02843	12.3
133.06482	23.4
133.10107	35.6
135.08032	3.3
135.11688	44.4
137.06029	7.7
137.09628	15.0
146.97466	3.1
147.08023	3.1
147.11700	11.5
148.07600	3.5
149.02377	4.0
149.13240	13.1
151.07555	5.8
151.11217	9.1
157.10153	5.3
161.05963	27.9
165.05460	4.2
175.07681	4.0
175.11205	6.7
175.14813	50.2
176.03403	3.3
178.02602	11.3
188.76993	4.2
191.39227	3.0
193.04979	67.1
193.06726	5.7
193.08551	16.1
193.10521	5.8
193.12225	33.8
193.15877	100.0
193.17632	7.2
194.05348	2.9
194.11812	3.3
194.15416	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	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03958	2.4
55.01867	2.2
55.05515	36.7
57.07069	3.5
59.05000	2.5
59.07458	1.2
65.03952	2.4
67.05508	43.6
69.03436	8.3
69.03742	1.7
69.07066	10.0
70.52582	3.0
71.04997	2.6
74.17068	1.4
79.05499	11.4
81.03426	19.7
81.07060	30.3
83.04987	23.1
83.08614	6.6
85.06551	23.0
86.66470	1.5
90.97118	1.1
91.05484	13.6
93.07055	24.3
95.04985	13.2
95.08611	43.8
97.06541	2.9
98.21358	1.4
99.08099	83.8
103.05455	3.9
105.07040	33.0
106.07353	1.5
107.04948	1.7
107.08600	24.8
109.06527	5.5
109.10163	77.2
110.10515	1.2
111.04410	1.4
111.08067	5.5
115.05463	5.0
117.07059	1.4
118.04168	1.3
118.53146	1.2
119.04937	1.3
119.08580	27.4
121.10143	13.2
123.04401	1.3
123.08042	6.2
123.11736	6.3
124.64084	1.3
125.09646	2.2
129.06982	1.4
131.08626	2.0
133.02856	2.5
133.06499	24.1
133.07436	2.2
133.10141	37.6
135.11694	27.4
137.06061	1.4
137.09624	72.2
138.10231	1.5
139.11179	2.4
145.10109	1.4
147.04362	4.5
147.08034	2.8
147.11707	6.7
148.04660	1.2
149.05963	1.2
149.09677	1.8
149.13286	5.4
150.10414	1.9
151.11214	5.1
151.14796	3.6
157.10081	1.7
161.05998	24.1
165.16443	2.1
175.03978	1.2
175.07579	3.0
175.11160	1.3
175.14845	27.8
178.02667	1.6
193.04984	43.0
193.08611	6.5
193.12227	5.6
193.15895	100.0
194.05307	1.7
194.16165	1.3
195.01863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.74079	2.3
53.03940	3.2
55.05512	22.2
57.03415	2.8
57.07063	3.8
67.05511	26.3
69.03436	18.3
69.07072	21.9
70.70095	8.9
71.04982	7.3
71.08617	3.3
77.86153	2.5
79.05479	10.7
81.03410	7.4
81.07067	28.3
83.04971	15.0
83.08605	9.8
85.06524	10.5
86.11455	2.3
91.05469	12.4
93.07043	28.2
95.04971	15.2
95.08054	3.1
95.08617	43.2
97.06512	7.4
97.10177	5.2
99.08096	33.3
103.05453	2.7
105.07031	36.1
107.08591	40.9
107.85514	2.5
109.06523	29.7
109.10155	69.9
111.08042	5.1
117.06999	3.8
119.08586	64.0
121.10150	49.6
123.08028	20.4
123.11739	19.0
123.30158	2.9
125.09588	3.0
129.06998	2.8
131.29922	2.4
133.06506	16.1
133.10136	77.5
135.11684	47.6
137.05948	2.9
137.09624	32.9
137.13246	5.3
145.10152	3.8
147.11703	13.9
148.08875	2.7
149.13261	24.5
151.11195	6.6
151.14792	4.3
161.05977	10.9
162.12425	2.8
165.16373	4.6
175.11201	3.7
175.14822	91.5
176.15129	3.6
193.05016	17.4
193.08621	10.0
193.12247	7.7
193.15878	100.0
194.15479	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03944	2.5
55.01880	3.0
55.05264	1.4
55.05515	24.0
56.96557	2.6
57.03423	5.0
57.07084	9.0
59.04984	3.1
60.04521	1.5
64.65467	1.1
65.03933	3.4
67.05173	2.3
67.05509	35.8
69.03430	18.4
69.06721	1.6
69.07071	22.5
70.06554	1.2
70.92017	2.0
70.92365	1.2
71.04993	13.2
71.08628	3.9
79.05489	16.3
81.03421	13.6
81.07060	39.1
83.04542	1.6
83.04987	15.2
83.08617	16.2
85.06551	10.6
87.08099	1.4
91.05485	22.3
92.05777	1.3
92.91483	1.1
93.03390	1.3
93.06467	2.3
93.07050	38.4
94.67401	1.3
95.04974	32.6
95.08609	64.8
97.02838	1.3
97.06563	6.4
97.07612	1.1
97.10155	4.0
98.97601	2.0
99.08081	5.0
103.05457	4.4
105.07037	56.6
106.07327	1.4
107.04961	3.5
107.08601	62.6
109.06532	26.7
109.10162	90.3
110.10462	1.7
111.04433	1.7
111.08094	8.3
113.09641	1.6
115.05449	5.0
117.07018	4.0
118.04164	2.3
119.08588	81.3
121.02845	1.8
121.06467	1.6
121.10154	68.7
123.04452	2.3
123.08074	32.9
123.11713	29.2
125.09619	3.3
129.05493	2.2
129.07025	2.2
131.08557	4.6
133.02847	7.0
133.05472	1.6
133.06502	24.8
133.10138	86.3
134.10422	2.1
135.11702	72.2
137.05943	5.2
137.09627	38.2
137.13269	7.6
138.10420	3.0
139.11278	1.4
143.06081	1.5
145.10123	3.8
146.99683	1.7
147.04443	3.2
147.06606	1.4
147.08099	3.4
147.11700	13.6
148.07567	4.0
149.05983	2.0
149.09653	1.4
149.13271	46.9
150.03117	1.5
151.03906	1.5
151.07530	2.4
151.11197	8.6
151.14854	11.4
157.10153	2.1
158.99745	1.6
160.12468	2.4
161.06018	28.0
165.05463	1.6
165.09081	1.8
165.12756	1.9
165.16429	8.1
166.06242	2.2
175.07573	2.5
175.11234	3.2
175.14836	100.0
177.00768	1.9
178.02628	3.3
193.04980	24.3
193.08620	11.7
193.12306	6.4
193.15895	97.7
194.05673	1.5
194.08112	3.5
194.16225	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.14125	1.2
53.03949	4.6
55.01879	7.4
55.05511	14.3
56.96565	8.5
57.03434	4.2
57.07085	2.9
59.05006	2.5
61.77321	1.3
65.03937	3.0
67.05507	30.8
69.03431	38.1
69.07072	10.9
69.85935	7.8
69.86364	2.3
71.04990	6.0
74.79486	1.4
79.05495	35.7
81.03419	54.8
81.07053	35.7
81.07520	2.4
83.04981	11.7
83.08619	11.7
85.06558	2.4
91.05486	47.8
93.03443	1.8
93.07047	37.5
95.04359	2.4
95.04974	36.6
95.05558	2.7
95.08606	25.5
97.02896	1.7
97.06006	1.5
97.06522	7.8
98.21523	1.3
99.08095	3.9
103.05486	10.5
104.06277	1.8
105.07034	100.0
106.07352	1.8
107.04971	8.6
107.08602	18.8
109.06515	14.9
109.10160	21.8
111.04447	6.6
111.08086	5.3
115.05468	16.4
117.07030	2.5
118.04182	4.4
118.21879	1.5
119.04928	2.6
119.08583	32.0
121.06518	4.7
121.10145	12.9
123.04479	2.2
123.08067	10.6
123.11670	7.7
128.98570	2.0
129.05597	1.8
129.07031	11.7
131.04903	4.3
131.08566	13.3
132.05740	2.0
133.02887	11.6
133.06497	67.2
133.10135	66.0
135.08040	2.6
135.10786	2.4
135.11702	17.4
137.05974	6.8
137.09625	10.1
137.13255	2.0
142.07785	3.2
143.06062	2.8
145.10115	2.0
146.97447	2.1
146.99707	3.2
147.04437	4.0
147.08034	9.2
147.11691	24.7
148.07574	4.0
149.02339	2.2
149.05983	4.5
149.09639	14.8
149.13289	6.7
150.03154	1.8
151.03874	1.7
151.07562	7.5
151.11185	3.6
154.05595	2.4
157.10121	14.3
161.02448	1.8
161.05997	78.2
165.05510	3.7
165.09103	3.2
165.12740	2.4
175.03955	2.6
175.07660	2.4
175.11198	28.0
175.14833	25.3
176.03355	2.2
178.02655	7.9
193.04982	47.0
193.06969	2.2
193.08592	39.1
193.10301	3.1
193.12238	35.8
193.15894	38.2
193.17659	2.8
194.08076	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03948	3.7
55.01879	2.9
55.05513	10.9
57.03448	2.3
57.07071	0.8
59.05000	1.2
65.03936	3.4
67.05508	26.2
68.42449	0.4
69.03437	5.1
69.07070	5.7
70.06585	0.5
71.01347	0.6
71.05003	2.8
77.03929	0.5
79.05495	17.9
81.03421	100.0
81.07057	16.5
81.07430	0.2
83.04986	6.1
83.08621	13.8
85.02885	0.8
85.06543	1.7
91.05483	21.6
93.07047	11.8
95.04972	41.0
95.08602	9.2
97.02863	2.2
97.06546	1.2
97.10159	1.3
99.08094	1.3
103.05500	2.5
105.07037	19.8
107.04967	7.9
107.08601	9.2
109.06531	6.8
109.07695	0.5
109.10158	7.7
111.04482	2.1
111.08076	3.6
115.05457	3.5
117.07027	2.2
118.04144	0.7
119.04962	1.7
119.08588	15.9
121.06494	2.4
121.10145	8.7
123.04455	0.9
123.08060	4.5
123.11693	3.0
125.09654	1.0
128.06218	0.7
128.98576	0.5
129.06998	8.4
131.05025	0.6
131.08577	8.0
133.02847	2.6
133.06503	10.6
133.10133	11.7
134.07100	0.6
135.08008	0.6
135.11693	7.2
137.05997	1.8
137.09624	4.5
142.07751	2.2
145.10132	1.1
146.99696	0.7
147.04420	0.6
147.06396	0.4
147.08052	4.7
147.10619	0.8
147.11693	7.1
149.02353	1.1
149.09662	4.1
149.13235	2.0
150.03181	0.6
150.06726	0.5
151.07550	0.6
151.11188	3.3
151.14833	1.5
157.10143	5.7
161.05986	7.7
165.05478	0.6
165.09177	0.7
165.12740	1.3
165.16499	0.6
175.07564	0.8
175.11188	6.2
175.14828	9.0
176.03395	0.5
178.02646	1.4
193.04985	10.4
193.08607	5.6
193.10406	1.1
193.12241	13.3
193.15898	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03938	3.5
55.01870	4.5
55.05511	5.9
56.96568	4.3
57.03436	16.5
57.07049	1.4
59.05009	1.2
65.03937	1.7
67.05507	9.0
69.03429	6.1
69.07048	3.8
70.91581	2.8
71.04998	1.4
75.04469	0.9
77.03911	1.4
79.05492	15.5
81.03417	8.6
81.07066	12.9
83.04976	4.4
83.08607	2.6
85.06512	2.3
86.06079	0.8
90.04684	1.0
91.05485	20.4
93.06472	1.2
93.07044	19.4
95.04971	12.3
95.08610	9.0
97.06517	2.1
97.99176	1.5
99.08102	1.4
101.47548	0.9
103.05469	11.8
105.07035	100.0
106.07353	2.3
107.04965	2.9
107.08580	4.8
109.02847	0.8
109.06512	4.5
109.10160	8.6
111.04435	2.8
111.08077	2.4
113.69552	0.9
115.05457	17.0
117.07011	2.0
118.04159	9.7
119.04958	3.6
119.08578	25.0
120.05254	2.6
121.06501	12.7
121.10148	3.5
123.04405	2.1
123.08099	4.4
123.11703	3.0
125.81334	0.9
128.98596	3.5
129.07030	2.6
131.04935	3.8
131.08556	2.7
132.05682	2.0
133.02870	5.9
133.06494	80.1
133.10135	15.5
134.06894	1.0
135.08032	2.6
135.11670	4.4
137.05981	4.3
137.09644	7.0
142.07741	2.0
143.04965	1.8
143.05971	5.8
146.07288	2.3
146.99654	3.8
147.04375	1.2
147.06462	1.0
147.06816	1.1
147.08031	8.2
147.11681	11.6
148.07582	1.0
149.02342	1.7
149.05971	1.7
149.09647	1.5
149.13261	1.6
151.07480	1.3
151.14877	1.1
157.10126	2.6
160.08864	1.2
161.05984	93.1
162.06363	1.5
163.11102	1.4
164.11479	1.2
165.05490	1.9
170.01265	0.9
175.03893	1.7
175.07487	1.3
175.11188	14.3
175.14798	7.8
178.02591	4.5
178.06248	1.3
193.04956	25.2
193.08611	29.6
193.10216	1.1
193.12282	14.3
193.14171	3.3
193.15913	10.9
193.17714	1.8
194.08229	1.0
194.15425	2.4
198.75287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01870	4.5
55.05511	5.9
56.96568	4.3
57.03436	16.5
57.07049	1.4
59.05009	1.2
65.03937	1.7
67.05507	9.0
69.03429	6.1
69.07048	3.8
70.91581	2.8
71.04998	1.4
75.04469	0.9
77.03911	1.4
79.05492	15.5
81.03417	8.6
81.07066	12.9
83.04976	4.4
83.08607	2.6
85.06512	2.3
86.06079	0.8
90.04684	1.0
91.05485	20.4
93.06472	1.2
93.07044	19.4
95.04971	12.3
95.08610	9.0
97.06517	2.1
97.99176	1.5
99.08102	1.4
101.47548	0.9
103.05469	11.8
105.07035	100.0
106.07353	2.3
107.04965	2.9
107.08580	4.8
109.02847	0.8
109.06512	4.5
109.10160	8.6
111.04435	2.8
111.08077	2.4
113.69552	0.9
115.05457	17.0
117.07011	2.0
118.04159	9.7
119.04958	3.6
119.08578	25.0
120.05254	2.6
121.06501	12.7
121.10148	3.5
123.04405	2.1
123.08099	4.4
123.11703	3.0
125.81334	0.9
128.98596	3.5
129.07030	2.6
131.04935	3.8
131.08556	2.7
132.05682	2.0
133.02870	5.9
133.06494	80.1
133.10135	15.5
134.06894	1.0
135.08032	2.6
135.11670	4.4
137.05981	4.3
137.09644	7.0
142.07741	2.0
143.04965	1.8
143.05971	5.8
146.07288	2.3
146.99654	3.8
147.04375	1.2
147.06462	1.0
147.06816	1.1
147.08031	8.2
147.11681	11.6
148.07582	1.0
149.02342	1.7
149.05971	1.7
149.09647	1.5
149.13261	1.6
151.07480	1.3
151.14877	1.1
157.10126	2.6
160.08864	1.2
161.05984	93.1
162.06363	1.5
163.11102	1.4
164.11479	1.2
165.05490	1.9
170.01265	0.9
175.03893	1.7
175.07487	1.3
175.11188	14.3
175.14798	7.8
178.02591	4.5
178.06248	1.3
193.04956	25.2
193.08611	29.6
193.10216	1.1
193.12282	14.3
193.14171	3.3
193.15913	10.9
193.17714	1.8
194.08229	1.0
194.15425	2.4
198.75287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03947	1.0
55.01871	2.3
55.05499	1.9
57.03444	0.4
57.07064	0.5
65.03919	0.4
66.04717	0.4
67.05501	3.7
69.03426	0.7
69.07055	1.4
70.22904	0.8
70.23293	0.7
71.04995	0.6
78.04706	0.4
79.05491	7.4
81.03417	11.0
81.07054	2.4
83.04990	1.1
83.08633	1.8
85.06528	0.4
87.08829	0.3
89.03956	0.3
90.04690	0.6
91.05488	5.1
93.07029	2.0
95.04971	5.5
95.08605	2.4
97.02939	0.4
102.04652	0.4
103.05467	7.2
104.06252	4.2
105.07032	56.1
106.07381	1.0
107.04958	1.1
107.08583	2.1
108.31219	0.3
109.06508	1.2
109.10143	2.7
111.08049	0.4
115.05456	11.5
115.06266	0.6
117.06990	0.7
118.04155	5.1
119.04958	0.3
119.08583	3.2
121.06535	0.4
121.10168	1.5
123.08073	1.3
123.11700	0.4
129.07030	0.7
131.04924	2.4
131.08528	0.8
132.05717	3.8
133.02844	1.2
133.06491	51.8
133.10120	4.7
134.06825	1.3
135.11707	2.5
137.05986	0.8
137.09595	2.5
143.04918	1.2
143.06056	3.6
146.99634	0.3
147.04381	0.7
147.08032	0.7
147.11716	2.4
149.05984	1.8
149.09650	0.9
149.13301	0.5
151.07527	0.4
151.11209	0.4
157.10115	1.2
160.05194	1.9
161.05983	41.4
162.06386	0.8
165.05537	0.3
165.09120	0.3
165.12753	0.5
175.11208	1.8
175.14847	1.9
178.02652	0.6
178.06262	2.9
193.05011	4.2
193.08606	100.0
193.15871	4.5
194.08960	1.8
212.72145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0769
Annotation	Carbendazim
Peak:m/z	Relative Intensity
50.87582	0.3
54.22642	0.2
56.05013	0.3
56.96535	0.9
58.08810	0.2
67.05494	0.4
67.85913	0.3
69.03400	0.4
71.04939	0.3
71.57693	0.5
79.05476	0.7
80.04996	0.4
81.03371	0.2
81.07061	0.4
83.04929	0.3
84.68485	0.3
85.02887	0.3
86.09678	0.5
89.68851	0.3
90.94817	0.3
91.05450	0.6
93.07026	0.3
95.04974	0.6
95.08576	0.3
97.02878	0.3
103.05479	0.4
105.07059	1.7
107.04961	0.3
107.08614	0.4
109.06512	0.3
110.07150	0.8
111.04411	0.4
114.97394	0.3
115.05416	0.4
119.04917	0.4
132.04599	0.3
132.05566	1.8
133.06482	1.7
134.10484	0.7
135.05492	0.3
136.83533	0.2
146.06000	1.0
146.99704	0.4
147.04443	0.4
147.06708	0.3
150.05511	0.5
150.96933	0.9
151.03810	0.3
152.25383	0.3
160.05078	100.0
161.05751	0.8
163.03864	0.3
164.07043	0.3
174.13629	0.6
192.07726	29.1
192.10391	0.8
192.13768	0.6
192.14644	0.5
192.17372	1.3
193.05000	1.1
193.08559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
54.26250	2.5
55.01867	7.1
55.05519	15.1
56.05025	9.8
56.96560	6.7
57.03439	14.4
57.07079	3.7
58.06593	6.3
59.05005	22.0
60.04532	3.2
60.05643	6.9
61.02937	5.9
65.03938	10.0
67.05505	16.1
68.05046	3.1
69.03430	53.6
69.07058	4.3
70.06590	41.0
71.04981	12.3
71.60165	5.0
73.02922	17.9
73.06492	2.4
74.06085	5.2
79.05495	5.8
81.03436	5.3
81.07058	9.4
82.06583	12.1
83.04987	52.5
84.04510	18.9
85.02905	31.1
86.06065	8.9
87.00831	3.6
87.04467	4.2
88.04004	3.3
88.07601	3.1
90.21764	2.6
91.05495	5.9
92.01311	3.0
93.03407	12.3
93.07069	4.1
95.04979	57.4
95.08639	3.5
96.04491	3.4
96.08087	6.4
97.02899	24.2
98.09702	54.7
100.07626	6.2
102.02451	3.4
102.05571	4.4
103.03966	2.7
103.05529	3.1
105.07038	11.4
106.06561	7.5
107.04954	3.7
109.02930	2.7
109.06498	4.1
110.06051	5.4
111.02972	4.4
111.04444	59.8
114.05534	11.5
114.09180	7.2
115.03937	6.4
116.10741	17.9
119.01917	11.2
119.04984	6.9
121.02866	7.8
123.02956	3.4
127.03937	6.9
128.07095	28.2
128.10789	3.4
129.05481	49.0
130.09776	11.4
131.01909	6.8
132.03529	4.0
132.06586	4.1
133.02834	4.3
133.06535	4.1
133.10179	3.2
134.10515	3.4
137.06023	4.2
138.12781	3.4
139.03920	16.6
143.01923	7.7
145.03496	5.1
145.05057	3.0
146.04533	6.8
146.06075	3.6
146.08115	29.6
146.11754	5.8
146.97490	3.3
146.99661	7.5
147.06512	19.8
147.11734	3.3
150.05444	2.8
150.96901	7.9
155.01904	8.9
156.06549	18.7
156.13850	22.6
157.03542	4.7
157.05014	10.3
161.02983	16.1
161.06050	4.1
161.76720	3.1
164.07039	3.2
165.05533	3.5
170.03081	3.2
173.02942	17.6
174.04103	4.8
174.07504	3.9
174.08875	13.0
174.11403	3.1
174.13570	3.7
174.14902	83.1
175.11127	3.5
178.02689	6.1
185.02971	9.7
187.92813	5.5
192.02986	8.8
192.06783	16.0
192.08673	17.3
192.10269	9.8
192.12276	6.9
192.14066	8.5
192.15994	100.0
192.17558	11.4
193.04964	36.4
193.15985	4.7
203.04053	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03919	2.0
55.01875	1.2
55.05493	4.5
56.03749	1.0
56.96576	1.2
57.07071	1.5
59.88532	1.0
67.05498	6.2
69.03431	21.6
69.07066	8.5
70.06564	2.3
71.04999	1.6
71.24867	1.3
71.25186	1.1
79.05490	8.9
81.07045	8.9
83.04971	4.7
83.08614	2.8
91.05478	10.5
93.07044	8.9
95.04960	4.2
95.08615	12.6
97.06505	4.1
97.07638	2.1
99.09202	1.9
103.05467	2.2
103.85892	1.2
105.07032	12.8
107.04957	5.3
107.08593	26.9
109.06526	8.4
109.10153	6.6
114.10309	2.1
115.05495	1.3
117.07017	4.0
119.08560	6.4
121.06495	5.2
121.10147	17.7
122.07235	2.4
123.08086	5.3
123.11726	2.4
126.75812	1.1
127.51019	1.4
129.07022	2.4
129.10272	2.6
131.04912	2.0
131.08556	16.0
133.10136	60.0
135.08058	17.2
135.11696	7.4
137.09645	8.3
143.08571	3.4
145.10136	9.6
147.04422	1.5
147.11703	7.5
148.05203	1.5
149.02341	1.4
149.09621	11.2
149.13289	10.1
158.10907	7.9
161.09642	2.4
163.03955	1.5
163.07576	3.1
163.11163	5.0
163.14787	4.6
173.09653	3.0
173.13284	28.6
176.04672	1.7
176.12039	1.9
183.00633	1.4
185.10341	1.2
191.03386	3.5
191.06990	8.5
191.10721	7.8
191.14308	100.0
192.06587	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05502	3.2
57.07054	1.2
58.70983	0.6
62.72218	0.6
67.05499	3.2
68.30443	0.6
69.03435	9.5
69.07066	3.4
69.93806	0.7
70.87804	2.1
77.42783	0.7
79.05492	4.0
81.07077	5.0
83.04986	2.4
91.05478	4.2
93.07051	4.1
95.08612	2.1
96.11275	0.8
101.95134	0.6
105.07045	10.4
107.04961	2.1
107.08604	15.7
109.06489	1.1
109.10163	5.7
115.05529	0.7
117.07027	1.8
118.07742	0.7
119.08597	3.2
121.06530	1.4
121.10157	10.3
122.07303	2.2
123.08050	1.9
129.07040	1.0
131.08562	4.6
133.10139	100.0
134.10500	1.7
135.08023	4.6
135.11725	2.0
137.09627	21.1
143.08617	0.8
144.09314	1.1
145.10139	2.5
147.11729	2.6
149.09648	0.9
149.13271	8.7
158.10927	3.2
163.14862	1.3
173.13280	10.7
191.14323	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59477	1.5
52.85968	1.4
53.03946	2.7
55.05516	10.9
57.03426	2.5
57.07071	2.5
60.05647	2.0
65.06116	4.0
67.05508	9.6
69.03432	16.5
69.07078	13.6
70.06594	18.0
71.05012	2.1
71.12345	3.3
72.08154	15.4
78.56648	3.0
79.05495	22.1
81.07059	15.4
83.04996	7.8
83.08633	3.4
85.06550	2.0
85.19701	1.6
87.07961	1.8
91.05485	13.6
93.07050	20.2
95.04972	5.2
95.08612	7.9
97.06557	1.7
97.07641	9.7
99.09207	9.7
100.11349	1.7
105.07034	16.1
107.04960	5.4
107.08604	37.5
109.06530	5.0
109.10167	9.0
112.08757	3.6
114.10307	14.6
115.05453	2.4
115.56649	2.7
117.07037	2.9
119.08588	7.7
121.06536	4.2
121.10143	19.0
123.08087	3.2
129.10242	12.8
131.08554	12.6
133.10135	100.0
135.04434	2.3
135.08054	14.9
135.11728	4.8
136.14276	1.8
137.09648	15.6
137.10640	2.7
141.11383	3.3
143.08501	3.2
145.10141	5.4
147.11685	6.3
149.09644	5.9
149.13248	13.1
158.10941	4.8
161.09631	1.7
163.14845	3.2
173.09425	2.4
173.13261	18.0
175.11969	2.5
179.61682	1.6
185.10403	3.9
190.63692	5.0
191.03363	5.1
191.07028	7.6
191.10640	2.3
191.14317	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10195	1.1
51.19452	1.1
53.03935	1.7
55.01873	2.0
55.05505	7.8
57.03437	1.6
57.07060	1.7
59.04980	1.4
60.05625	1.4
65.06126	1.9
67.05496	7.7
69.03431	18.7
69.07069	11.8
69.95589	4.9
69.96004	2.5
70.06582	6.0
71.04987	2.7
72.08133	3.7
79.05492	11.8
81.07066	11.2
83.04977	12.2
83.08610	2.8
85.06534	2.1
91.05482	16.9
93.07045	19.1
95.04964	3.6
95.08608	9.2
97.06520	7.3
97.07605	1.7
99.09185	2.5
103.05479	2.3
105.07027	26.1
107.04938	3.8
107.08592	38.7
108.48979	1.1
109.06516	6.0
109.10157	9.8
114.10274	4.5
115.05433	2.4
117.07034	5.6
119.08582	24.7
119.49531	1.1
121.06496	11.0
121.09309	2.0
121.10145	25.5
122.07236	1.6
123.08060	4.9
123.11724	1.6
129.06978	3.4
129.10255	3.4
131.04927	1.5
131.08571	29.4
133.10133	98.9
134.10358	1.5
135.08054	18.7
135.11606	6.1
137.09612	11.8
141.11362	1.4
143.08545	4.6
144.09334	1.9
145.06470	2.0
145.10126	14.5
147.11670	16.3
149.09607	7.0
149.13240	16.0
158.10905	10.0
161.09581	2.7
163.07527	2.6
163.11246	2.2
163.14803	5.1
173.13269	41.1
173.51198	1.2
176.12003	2.1
190.63776	1.6
191.07013	7.8
191.10654	5.2
191.14304	100.0
192.14436	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	2.0
55.01868	2.6
55.05516	10.7
56.96561	2.7
57.03413	2.5
57.07069	3.3
61.33620	1.4
67.05508	10.1
67.12775	1.4
69.03436	20.9
69.06786	1.3
69.07074	15.0
69.37566	16.2
71.04984	6.7
79.05122	1.7
79.05502	17.0
81.03429	2.2
81.07056	19.9
83.05001	7.4
83.05404	1.5
83.08619	7.3
85.06528	4.1
91.04959	2.5
91.05486	31.8
93.07047	24.5
95.04971	9.8
95.08608	15.7
95.75300	1.4
97.06537	10.3
98.09701	3.7
103.05481	9.3
105.03386	2.0
105.07035	38.0
107.04972	7.8
107.08595	35.4
107.23827	1.4
109.06541	11.5
109.07668	3.0
109.10159	17.2
111.08064	3.2
115.05448	6.2
116.06216	2.6
117.07043	12.4
118.04161	3.2
119.08587	26.8
121.06512	12.0
121.10155	27.5
123.08106	8.8
123.08907	2.1
123.11703	5.0
129.06976	5.8
130.04205	2.1
130.06506	1.5
130.07822	2.9
131.04945	13.1
131.08577	62.4
133.06563	2.1
133.10136	73.5
134.98610	1.5
135.04430	4.2
135.07109	2.8
135.08063	32.6
135.11714	8.9
137.09625	2.5
143.08592	9.4
144.05635	2.9
144.09357	3.3
145.06476	8.4
145.08374	1.7
145.10136	23.7
146.05997	3.1
147.08043	3.3
147.11702	15.9
148.05188	4.1
148.08670	2.6
149.01245	2.5
149.06003	4.1
149.09613	18.0
149.13254	12.1
158.07297	2.1
158.10934	14.2
159.04369	2.0
159.08083	20.9
161.09618	3.7
163.03886	3.8
163.07587	9.7
163.11172	6.2
163.14799	5.8
167.02342	2.5
173.06004	5.2
173.09613	5.0
173.13274	54.0
176.04657	5.8
176.11974	2.7
191.03427	7.9
191.07013	26.1
191.08681	2.3
191.10750	26.9
191.14319	100.0
192.06584	4.2
192.10272	3.4
192.12503	1.9
192.14737	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	1.3
55.01873	1.8
55.05513	11.0
55.99997	1.0
56.05016	1.0
56.96572	2.3
57.03429	2.5
57.07070	2.3
59.04974	1.4
65.03921	1.4
66.68227	0.9
67.05505	5.5
69.03432	13.0
69.06760	1.0
69.07070	9.6
70.06614	2.2
71.04973	3.3
72.93787	0.9
78.55598	1.0
79.05501	9.8
81.03446	1.6
81.07053	7.1
83.04990	7.4
83.06082	1.0
83.08623	2.4
85.06535	2.6
86.99025	1.1
91.05480	12.4
93.07044	12.2
95.04977	4.8
95.06080	1.3
95.08621	8.8
97.02857	1.2
97.06534	3.0
103.05493	4.6
105.07040	16.3
107.04958	5.3
107.08596	25.2
108.09365	1.3
109.06541	6.2
109.07648	2.7
109.10172	6.7
110.07181	1.3
115.05441	2.0
116.06258	1.1
117.07031	6.5
118.06559	1.9
119.08598	7.2
121.02872	0.9
121.06522	8.8
121.10161	14.4
122.07238	1.4
123.08055	4.0
123.11700	3.2
127.03908	1.0
129.06985	1.7
131.04938	6.5
131.08560	15.2
133.06534	1.5
133.10135	26.2
134.07190	1.1
135.04456	2.5
135.08064	16.7
135.11690	3.8
136.08826	9.2
137.09648	2.0
143.08540	2.6
144.09293	1.0
145.06514	2.3
145.10138	10.0
146.05988	2.3
147.08029	1.4
147.11702	6.3
148.05173	1.9
148.08720	1.9
149.01231	1.3
149.05876	1.8
149.09630	17.1
149.13268	5.9
150.10237	1.2
150.96892	2.4
151.11018	1.7
158.10915	6.3
159.04338	1.8
159.08148	1.6
160.05074	25.6
161.09641	8.6
163.06209	1.0
163.07513	4.5
163.11189	3.8
163.14854	2.6
169.13301	1.5
173.06015	2.9
173.09631	2.4
173.13269	18.3
176.04669	2.3
176.12024	6.2
191.03394	5.6
191.06969	9.1
191.08525	7.3
191.10681	9.9
191.14320	100.0
191.18037	2.9
192.07930	6.5
192.10100	2.0
192.17470	1.4
199.97177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
54.93035	1.3
55.05511	7.3
57.03416	2.0
57.07063	2.5
59.05006	1.5
65.03938	2.2
67.05514	9.8
69.03426	13.3
69.07069	14.6
69.94078	3.6
69.94492	6.1
71.04977	5.3
79.05508	12.3
81.03452	1.4
81.07056	12.6
83.04978	6.2
83.08606	5.6
83.54977	1.6
85.06531	4.0
88.16094	1.4
91.05482	16.6
93.07039	20.0
94.31828	1.3
95.04955	9.3
95.08603	15.4
97.06523	7.5
98.21481	1.9
103.05446	5.0
105.07031	31.1
107.04951	6.2
107.08592	37.3
109.06513	9.5
109.10152	11.9
111.08113	1.5
115.05441	2.8
116.06222	1.9
117.07014	8.6
118.97566	1.5
119.08575	22.6
121.06494	8.7
121.10143	24.9
123.08086	8.4
123.11722	5.4
128.06221	1.6
129.07002	5.8
130.07780	2.1
131.04945	6.0
131.07579	3.0
131.08565	51.2
133.10132	76.8
135.04494	2.1
135.08076	20.2
135.11673	9.6
137.09656	2.5
143.08583	9.3
144.09325	4.8
145.06474	3.0
145.10118	25.3
147.11694	15.7
148.05185	1.9
149.08453	2.7
149.09608	10.5
149.13245	12.8
158.10907	11.8
159.08063	2.2
163.03897	2.4
163.07526	4.6
163.11148	3.6
163.14836	5.0
171.11681	1.5
173.05974	2.1
173.09637	5.4
173.13271	61.3
174.13582	2.1
176.04655	3.2
176.12032	1.6
191.03366	6.6
191.06883	15.2
191.08533	2.1
191.10728	11.7
191.14316	100.0
191.17970	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	0.5
53.78125	0.4
55.01881	3.0
55.05503	1.4
57.07066	0.7
59.04995	0.4
63.90197	0.3
67.05488	1.6
69.03432	4.7
69.07069	10.8
69.81038	2.8
70.06567	1.1
70.96698	0.3
71.05001	0.9
72.08146	0.6
76.91154	0.3
79.05502	3.9
81.03428	0.5
81.07059	3.0
83.04973	1.3
83.08608	1.1
83.98920	0.4
85.06509	0.6
91.05484	4.1
93.07052	12.2
95.04943	1.3
95.08598	3.5
97.06564	2.0
98.20708	0.5
101.93090	0.4
103.05476	1.4
105.07039	5.2
107.04951	1.7
107.08602	11.1
109.06509	1.5
109.10169	2.1
114.10233	0.4
115.05415	0.9
115.56596	0.5
117.07012	1.6
119.08606	3.2
121.02882	0.5
121.06510	13.4
121.10149	9.0
123.08093	2.2
123.11746	0.8
131.04950	0.8
131.08586	4.8
132.07970	0.4
133.06523	0.5
133.10139	8.7
135.04419	0.6
135.08061	8.2
135.10085	0.4
135.11691	3.7
137.09639	1.1
143.08553	1.2
145.06508	0.6
145.10135	3.2
147.11691	20.8
148.05168	0.6
148.08852	0.6
149.06017	0.7
149.09628	3.4
149.13261	7.4
158.10886	0.8
161.09642	4.7
161.13057	0.3
163.03838	1.0
163.07576	1.7
163.11130	0.9
163.14833	1.3
167.97096	0.4
173.09583	1.3
173.13277	9.2
173.61322	0.4
175.11176	0.5
176.04807	0.6
176.12000	1.7
177.64447	0.4
191.03357	1.4
191.07056	5.9
191.10802	2.7
191.14314	100.0
192.06528	0.8
192.10184	0.5
192.14728	2.1
194.06902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1066
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03933	2.5
55.01871	10.7
55.05522	4.1
57.03426	1.2
57.07050	1.5
65.03934	1.9
67.05170	1.6
67.05506	24.0
68.99782	0.9
69.03430	13.2
69.07066	5.1
70.39993	3.4
71.01340	1.7
71.04994	4.3
71.05312	0.8
73.02909	2.8
74.46432	0.9
75.47922	0.7
77.03879	1.2
77.61733	0.8
79.05492	37.6
81.03419	1.5
81.07058	23.7
83.04986	9.6
83.08611	2.0
83.24581	0.8
85.02905	1.3
85.06550	1.5
88.57938	0.9
91.05476	34.1
93.07043	46.8
95.04964	9.4
95.08604	3.6
97.02895	0.9
97.06545	12.1
99.04433	1.5
103.05480	7.0
105.03398	1.1
105.07027	20.9
107.04947	8.1
107.07868	2.0
107.08594	40.8
109.02896	0.9
109.06512	8.7
109.10143	5.1
111.04430	6.8
115.05453	2.6
116.06231	2.6
117.07030	20.5
118.04140	2.4
119.04948	1.6
119.07814	0.8
119.08574	24.2
121.06507	11.4
121.10139	36.7
123.04460	1.5
123.08047	3.8
123.11685	2.4
125.05957	2.1
128.06178	1.8
129.05548	1.8
129.07007	10.8
130.04111	2.6
130.07767	4.5
131.04939	8.1
131.08562	41.9
132.08910	1.0
133.02846	0.9
133.06487	2.2
133.09221	1.3
133.10129	12.3
135.04463	1.1
135.08054	17.6
135.11691	24.8
137.09628	1.1
143.08534	3.8
145.06483	6.8
145.10117	60.2
146.05977	1.3
146.10439	1.4
147.04416	1.7
147.08035	3.9
147.11708	11.5
148.05165	5.0
148.08765	1.1
149.02420	1.0
149.05957	1.6
149.09622	18.2
149.13226	3.2
152.10764	1.0
155.08569	10.7
158.07224	1.0
158.10904	2.5
161.09517	1.6
163.04005	1.4
163.07547	6.4
163.11180	95.8
164.11528	2.5
173.09625	43.1
173.13234	8.3
174.10017	1.2
176.04713	2.2
181.12238	5.8
191.03400	2.6
191.07001	14.7
191.10661	100.0
191.14268	26.0
191.17938	1.4
192.06548	2.8
192.11122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0816
Annotation	(-)-Chrysogine
Peak:m/z	Relative Intensity
54.03474	1.5
55.01853	1.7
59.73780	1.3
60.04514	3.1
65.03936	5.3
67.05509	2.4
69.03423	1.9
69.07085	1.8
70.06590	1.5
70.85750	3.9
78.03444	1.4
79.05498	3.8
81.07064	2.7
83.04957	1.3
83.06102	2.3
91.05489	11.6
92.05001	6.7
93.07036	4.4
94.06584	3.3
95.04986	5.0
95.08578	1.6
103.05442	2.5
104.04996	5.2
105.03387	1.6
105.07040	4.7
106.06569	3.3
107.04943	6.8
107.06085	1.5
107.07263	1.4
107.08585	8.4
108.08168	1.8
109.06543	3.3
109.07630	1.5
109.10168	2.1
110.03554	1.4
110.06070	1.9
111.04463	2.0
118.06552	20.2
119.04951	5.1
119.06065	4.5
119.08561	3.2
120.04482	15.1
121.06509	3.7
121.07635	1.5
121.10160	4.3
122.06046	10.6
123.04440	15.9
123.08031	1.7
123.11714	2.5
128.04984	4.6
131.04985	2.8
131.06041	3.2
131.08583	5.0
132.04459	22.1
132.06812	1.7
133.05264	3.0
133.06438	1.5
133.07576	2.0
133.10115	8.3
134.02422	1.4
134.06036	3.2
135.05528	1.2
135.06810	7.2
135.08078	3.7
135.09123	2.0
135.11670	1.9
136.07597	7.8
136.08514	1.4
145.07611	29.1
145.10130	3.6
146.06007	36.5
147.04390	6.1
147.09184	1.6
147.11696	2.4
148.03975	8.2
148.06401	1.5
148.07567	4.5
149.04799	1.7
149.07133	3.7
149.09538	1.7
150.05547	9.5
150.10297	2.0
151.06302	5.2
155.05974	1.7
156.04462	3.7
158.04774	5.5
158.08403	3.1
163.07552	1.9
163.08699	10.8
164.03439	1.7
164.07059	23.0
171.35275	1.2
173.05685	2.4
173.07126	40.2
173.09494	2.2
173.13202	3.2
174.05508	19.7
174.07738	2.1
174.09157	1.9
191.03310	2.5
191.08189	100.0
191.14314	12.3
191.17955	1.5
192.06546	2.6
195.63576	1.5
196.95937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0704
Annotation	7-Ethoxycoumarin
Peak:m/z	Relative Intensity
53.03929	1.2
55.01859	1.9
55.05500	2.0
56.96556	0.9
57.07074	1.5
58.99568	1.1
59.04993	0.7
62.62356	0.6
65.03934	0.8
67.05517	4.4
68.99434	1.1
68.99791	17.1
69.03426	6.0
69.07078	3.2
70.06582	0.6
71.04980	1.7
71.60093	0.7
79.05495	8.2
81.03388	1.1
81.07062	18.0
83.04308	0.6
83.04961	3.2
83.08595	1.4
85.06524	1.5
86.99033	0.9
91.05475	6.6
93.03424	0.9
93.07060	7.3
95.04970	3.7
95.08602	6.8
96.88856	0.7
97.02917	0.8
97.06522	2.4
103.05468	3.9
105.00099	1.7
105.03322	0.9
105.04523	0.6
105.07029	11.7
107.04961	15.5
107.06046	0.6
107.08601	11.7
109.06508	3.1
109.10175	4.0
111.00809	61.6
115.05451	2.7
116.06169	0.6
117.07014	6.3
119.08556	3.7
121.02895	0.7
121.06509	5.3
121.10148	9.0
123.04417	1.6
123.08044	2.5
123.11710	1.9
130.04147	0.8
131.04921	4.6
131.08569	10.5
132.05634	0.9
133.06454	1.3
133.09116	1.2
133.10130	23.9
135.04395	3.3
135.08058	10.4
135.11694	4.0
137.09589	0.7
139.03929	3.0
143.08548	1.7
145.02852	0.6
145.06499	4.7
145.08430	0.8
145.10144	6.1
147.04417	0.8
147.08002	1.3
147.11720	4.5
148.05219	1.4
148.08719	0.9
149.05994	8.6
149.09630	5.1
149.13252	4.4
150.03127	6.1
158.10951	3.1
159.04460	0.7
159.08063	0.9
161.09586	1.2
163.03909	16.2
163.07558	9.5
163.11198	1.8
163.14813	1.5
173.06000	1.8
173.09602	2.0
173.11745	0.9
173.13258	15.0
176.04665	2.6
176.11824	0.7
191.03444	11.2
191.07028	100.0
191.10602	6.0
191.14310	33.3
191.17841	1.7
192.07497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59182	0.1
56.05034	1.7
57.07056	0.3
58.06594	0.3
60.05649	0.2
60.08166	28.4
60.69818	0.2
67.05505	2.7
69.07084	0.4
69.35299	0.2
70.06594	1.4
70.59680	0.5
74.02459	0.5
74.07214	0.6
76.35552	0.2
84.08146	100.0
85.06541	1.1
85.08481	0.7
86.09697	0.4
102.09142	0.3
112.07614	0.2
116.07107	0.6
119.01945	0.2
128.07071	0.4
129.65364	0.2
130.08646	46.1
131.09009	0.4
143.00764	0.2
144.11334	0.3
144.13834	3.0
185.69958	0.1
189.15987	27.4
190.16324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1598
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
55.59182	0.1
56.05034	1.7
57.07056	0.3
58.06594	0.3
60.05649	0.2
60.08166	28.4
60.69818	0.2
67.05505	2.7
69.07084	0.4
69.35299	0.2
70.06594	1.4
70.59680	0.5
74.02459	0.5
74.07214	0.6
76.35552	0.2
84.08146	100.0
85.06541	1.1
85.08481	0.7
86.09697	0.4
102.09142	0.3
112.07614	0.2
116.07107	0.6
119.01945	0.2
128.07071	0.4
129.65364	0.2
130.08646	46.1
131.09009	0.4
143.00764	0.2
144.11334	0.3
144.13834	3.0
185.69958	0.1
189.15987	27.4
190.16324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03944	0.7
55.05510	6.0
56.96563	1.5
57.07078	0.7
67.05502	11.8
69.03423	0.8
69.07071	5.5
70.06596	1.7
70.86402	1.6
70.90290	0.4
72.46999	0.4
79.05493	6.8
81.07057	36.7
83.08614	3.9
84.08151	0.6
91.05479	15.1
93.07046	14.7
95.04964	1.0
95.08606	60.8
96.08938	0.6
97.10193	1.1
103.05494	0.6
105.07029	50.8
106.07322	0.6
107.08595	22.0
109.06496	0.6
109.10152	18.8
111.04430	0.6
117.07017	2.4
118.02834	1.1
119.08578	69.2
120.08899	1.2
121.10143	8.4
123.11730	0.8
124.97632	0.6
125.09660	0.5
128.06221	0.8
129.06999	0.6
130.04651	0.7
131.08575	6.1
133.10127	58.5
143.08607	0.7
145.10104	4.2
146.10896	1.9
147.11685	45.5
148.12070	0.6
149.02339	2.0
151.05177	0.7
158.05917	4.6
159.11653	1.2
160.12466	1.8
161.06004	0.6
161.09631	0.9
161.13248	23.3
167.06445	1.6
169.56818	0.9
171.11681	1.5
174.06761	0.8
174.13994	1.3
189.05435	0.7
189.09120	3.3
189.12724	5.7
189.16377	100.0
190.16684	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40099	1.2
55.05504	2.3
57.03439	2.0
59.04987	3.8
60.05626	3.9
61.02912	4.3
69.03412	5.8
70.06599	10.1
70.96574	3.3
71.03304	1.6
71.04983	2.9
79.05468	2.0
81.07069	2.2
83.04950	1.9
84.04052	2.7
84.04512	42.3
84.05275	1.6
84.08127	1.7
84.28067	1.4
85.02910	7.3
85.04267	3.2
85.04830	30.9
86.03249	7.9
87.04448	2.9
88.04780	1.6
91.05461	6.0
93.07030	2.3
95.04940	2.2
95.08585	1.6
103.05450	1.6
105.07026	13.3
107.04912	1.8
109.10157	1.6
111.06374	1.6
117.07018	4.3
119.08605	13.3
121.06487	1.4
121.10142	1.6
127.05850	3.0
128.06187	4.0
129.06943	7.5
130.07735	3.5
130.08623	3.9
131.08528	5.9
133.06448	2.9
133.10115	6.4
133.37762	1.5
141.06982	5.9
143.08530	6.4
144.07985	1.6
144.09261	2.5
145.06444	2.6
145.10143	17.5
146.07214	2.0
147.08015	6.9
147.11707	11.5
149.09576	1.7
155.08557	1.7
156.09355	43.6
159.08046	5.8
159.11682	12.8
160.08904	1.5
161.05980	8.1
161.09641	6.8
161.13199	4.0
171.10266	3.4
171.11702	52.0
174.06766	2.5
174.10364	7.8
189.05319	2.5
189.09279	21.8
189.12732	100.0
189.16341	4.9
190.13019	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1347
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
55.96158	0.6
56.05045	1.1
57.04561	8.7
60.05650	3.0
60.08165	9.2
67.05513	1.0
70.06592	100.0
71.00701	2.1
71.04986	1.4
71.06921	0.7
72.08149	7.2
73.02901	0.5
74.07203	34.1
84.08144	36.3
88.07619	1.6
112.08735	2.9
115.08688	8.0
116.07094	41.8
130.08636	19.0
133.09711	4.5
144.11322	18.0
144.13797	1.2
158.09262	7.8
164.34344	0.6
171.12390	1.5
172.10857	7.8
189.13464	50.5
189.15953	9.0
195.30254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1121
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
55.05521	28.4
56.34400	6.4
56.43967	5.5
57.03436	40.1
57.07082	56.7
61.02926	18.1
65.27628	5.2
67.05502	14.7
69.03429	16.7
69.07061	20.7
69.64271	5.7
71.59070	8.6
73.02911	10.3
79.05499	8.1
80.97012	5.5
81.07072	33.3
83.04973	16.2
83.08620	16.3
85.02906	26.3
85.06535	39.3
91.05470	13.5
93.07044	17.9
95.04952	6.7
95.08590	10.5
97.06478	7.3
105.07030	14.4
109.06532	7.5
111.08112	13.9
119.08623	8.3
125.09628	8.2
127.07568	100.0
129.09171	7.0
133.10130	13.8
141.09151	7.1
143.08629	6.4
147.11702	8.6
149.02336	29.5
153.09145	26.4
156.09390	8.3
171.10130	11.4
171.11731	14.6
189.09229	13.3
189.12672	44.7
207.31056	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69536	1.8
55.01854	2.7
55.05503	6.7
56.96558	5.4
62.10312	1.7
65.03916	2.6
67.05490	9.2
69.03439	4.3
69.07050	5.6
69.29960	22.3
70.06574	3.6
72.11488	2.0
74.07232	2.5
79.05493	14.3
80.69066	1.9
81.03407	2.9
81.07050	8.8
82.45792	1.6
83.04977	3.9
84.04490	3.0
84.08127	2.0
84.15811	1.8
85.02901	2.9
85.04850	2.0
91.04971	3.5
91.05491	46.0
92.85721	1.8
93.07056	10.0
95.04945	3.4
95.08591	5.2
97.06554	2.2
105.06396	2.3
105.07042	33.4
107.04996	2.2
107.08585	5.3
111.04454	4.0
115.05430	2.3
116.27686	1.8
117.06993	7.8
119.04954	2.8
119.08578	16.8
121.06512	3.9
124.04698	2.3
124.97590	3.6
128.06218	4.6
129.07001	25.7
130.07802	3.9
130.08688	2.6
131.08559	4.7
133.06534	2.8
133.10138	15.6
142.98633	4.8
143.08577	17.4
144.55917	2.5
145.10156	19.4
147.07993	7.2
147.11728	10.1
149.02342	8.1
155.04684	4.0
156.09344	10.2
157.54916	3.1
160.99643	2.6
161.05936	2.8
161.09628	6.1
161.13257	12.2
166.70209	1.8
171.11720	45.4
171.67804	2.4
174.10448	2.9
189.05452	8.4
189.07686	3.0
189.09114	13.3
189.12733	100.0
189.16360	9.1
190.08502	3.3
190.13089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
57.03438	1.3
60.05653	1.3
67.05486	2.2
69.03432	6.2
69.07054	1.4
70.06590	5.8
71.13816	0.7
71.14189	1.6
74.07191	1.3
79.05486	2.5
81.07058	1.7
83.04983	1.2
84.04509	7.8
85.02902	2.7
85.04308	1.2
85.04826	6.3
86.03255	0.9
88.04739	0.9
88.59585	0.7
91.05494	8.8
93.07041	2.2
95.05014	1.1
95.08604	1.1
103.05441	0.9
105.07043	14.0
107.04948	2.4
107.08593	2.2
109.06548	1.0
115.05449	2.5
116.07087	1.1
117.07052	4.6
119.04956	1.9
119.07787	1.5
119.08588	19.2
121.06503	1.6
121.10120	1.3
128.06255	5.1
129.06989	8.5
130.07736	3.1
130.08623	1.7
131.04890	2.0
131.08560	6.8
132.05707	1.1
133.06509	5.2
133.10143	6.7
141.06995	5.5
142.07811	0.9
143.04832	0.8
143.08562	7.1
145.06485	2.3
145.10147	15.0
146.07259	2.6
146.10919	1.0
147.08060	9.5
147.11708	18.0
148.05180	1.5
149.02336	0.9
153.07001	1.0
155.08554	2.1
156.09357	37.6
157.06494	3.1
157.09869	1.1
158.07166	0.8
159.08080	5.3
159.11693	10.5
160.05212	6.3
160.08829	1.6
161.05984	16.4
161.09631	10.8
161.13255	6.5
171.04536	0.9
171.08179	1.2
171.11699	44.8
172.12068	1.2
174.06779	5.1
174.10390	9.5
189.05440	1.9
189.09140	32.1
189.12746	100.0
189.16362	2.3
190.09509	0.9
190.13045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03967	0.4
55.01889	0.4
55.05518	1.3
56.96576	0.5
60.05658	1.0
60.08186	0.3
67.05527	0.5
69.03436	1.6
69.07072	1.7
69.36691	2.7
70.06597	4.8
71.05013	0.3
74.07220	0.7
79.05514	0.9
81.03355	0.3
81.07079	1.0
83.05009	0.5
83.08637	0.7
84.04475	0.6
84.08168	0.8
85.02938	0.5
85.04845	0.6
91.05482	2.4
93.07022	0.6
95.04974	0.5
95.08634	0.7
102.10683	0.3
103.05478	1.0
105.07027	4.1
107.04993	0.3
107.08615	0.8
109.10191	0.3
115.05418	1.6
116.06322	0.3
116.07107	0.5
116.31479	0.2
117.07040	1.6
118.07802	0.4
119.04961	0.8
119.08592	5.0
120.06337	0.2
121.06549	0.3
121.10121	0.3
122.66592	0.3
128.05261	0.4
128.05536	0.2
128.06224	10.9
129.07008	34.2
130.06487	0.4
130.07918	1.3
130.08659	1.1
130.09499	0.3
131.04927	3.3
131.08569	7.1
133.06487	1.5
133.10133	3.6
141.06982	1.8
142.98738	0.3
143.08563	3.8
144.09410	0.3
144.11275	0.3
145.06482	3.4
145.10124	3.5
146.07286	4.0
146.10847	0.3
147.04457	0.4
147.08090	1.1
147.11687	2.4
155.06082	1.1
156.09352	7.5
157.06499	16.9
158.07280	8.0
159.04411	2.5
159.08076	1.2
159.11697	1.9
160.05209	1.0
160.08842	0.6
161.05995	3.7
161.09625	5.8
161.13272	1.6
171.08058	0.8
171.11703	10.3
173.06030	0.8
174.06772	51.6
174.10403	1.4
175.07185	0.9
189.09109	100.0
189.12662	16.7
189.16240	2.1
190.04962	0.4
190.09645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03962	0.5
55.01867	1.0
55.05511	1.2
57.03416	0.6
59.81116	0.4
60.05651	2.6
62.58012	0.4
67.05514	1.6
68.99783	0.6
69.03438	1.6
69.07077	1.2
69.83372	1.0
69.83785	2.0
70.06596	7.9
71.04996	2.3
74.07220	0.9
78.18249	0.4
79.05496	2.0
81.07066	1.8
83.04991	0.8
83.08617	0.5
84.04519	2.2
84.08141	1.4
85.02911	1.0
85.04839	1.9
85.06550	0.6
87.04496	0.4
87.80461	0.3
91.05482	10.0
93.07052	1.8
95.04955	0.8
95.08627	1.3
103.05453	0.8
105.03410	1.6
105.07035	8.9
107.04941	0.6
107.08618	1.6
109.10142	0.9
111.04462	0.9
115.05461	12.2
116.06219	1.3
116.07037	0.9
117.07021	3.1
118.04144	0.6
119.04968	1.0
119.08596	9.2
121.02930	0.5
121.06507	0.7
121.10155	0.9
127.11198	0.5
128.06252	4.5
129.03366	0.7
129.06998	2.6
130.08621	3.1
131.04907	0.9
131.07584	0.8
131.08574	16.0
132.05713	1.2
133.06509	7.4
133.10147	4.2
141.07004	0.8
143.04961	1.7
143.08560	6.8
144.08089	0.5
144.11348	0.5
145.06441	1.0
145.10135	3.1
146.07265	1.1
147.04414	1.4
147.08054	2.5
147.11688	9.7
148.05235	0.5
148.08690	0.9
149.02368	2.3
149.09540	0.6
156.09340	4.2
157.06523	1.2
158.09290	0.6
159.08072	1.4
159.11745	1.0
160.05208	66.2
161.05988	100.0
161.09583	6.4
161.13260	1.7
162.06343	1.5
171.08064	2.9
171.11703	5.8
171.13834	0.6
172.10858	0.6
174.06779	1.6
174.10448	1.6
189.05609	2.6
189.09117	73.9
189.12622	15.2
189.16345	4.3
190.05106	0.6
190.09439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07504	0.2
50.31005	0.2
55.05513	1.5
56.05034	1.6
57.03437	1.1
58.06596	0.3
59.05004	2.3
60.04528	1.2
61.02930	8.5
61.03249	0.4
65.03960	0.3
67.04258	0.3
67.05507	0.5
68.05025	0.5
69.03436	1.2
70.02960	1.8
70.06590	0.5
71.05012	1.3
71.34464	0.3
71.34768	0.2
72.04523	0.6
72.08150	0.3
75.04478	0.9
79.05457	0.3
80.05026	0.2
81.03391	0.3
82.06588	1.8
83.04984	4.5
83.08640	0.6
84.04508	100.0
84.08170	0.3
85.02908	19.6
85.04841	0.6
86.06062	0.8
87.04469	6.4
91.05483	0.5
95.04977	0.2
96.04509	0.3
97.10161	0.7
98.06075	0.6
100.07639	1.5
105.05495	0.4
105.07024	0.5
107.08615	0.8
110.06054	2.5
111.04467	1.2
114.05573	0.2
116.07107	0.3
125.09679	0.5
126.05517	5.0
128.06209	0.4
128.07082	5.0
128.11813	0.2
129.05479	1.2
129.06953	0.2
132.08054	0.4
135.08047	0.5
142.06520	0.3
142.08673	0.4
142.12216	0.4
146.05994	0.4
146.08139	0.8
147.06496	0.5
156.09319	0.5
160.07593	1.8
160.09685	0.4
161.05997	0.7
161.09627	0.6
170.08191	1.0
170.11777	1.5
171.06552	0.4
171.11790	0.3
174.06679	0.3
188.07176	1.0
188.09196	12.0
188.10539	0.4
189.09172	1.1
189.12709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
54.03075	0.5
55.05516	1.1
56.05038	1.9
57.03442	0.9
59.04994	2.1
60.04511	1.4
61.02928	8.3
62.99449	0.4
67.05479	0.5
68.05029	0.8
69.03421	1.6
70.02950	2.0
70.06601	0.8
70.08464	2.6
71.04992	1.8
72.04486	0.7
72.08143	0.5
79.05492	0.7
81.07108	0.5
81.92946	0.4
82.06598	3.2
83.04984	4.9
83.08598	0.5
84.04508	100.0
85.02911	18.7
85.04822	0.8
86.06067	1.4
87.04465	6.4
95.31709	0.5
96.04500	0.7
96.94131	0.5
98.06081	0.6
98.20786	0.4
99.04453	0.6
100.07625	2.1
101.06048	0.6
105.07023	1.2
107.08617	0.6
110.06053	3.7
111.04448	1.3
112.38351	0.4
114.05508	0.9
115.05434	1.1
119.08613	1.4
126.05511	5.0
128.06194	0.7
128.07079	5.9
128.10759	0.6
129.05472	1.3
129.06947	0.5
133.06544	0.5
142.03238	0.5
142.08676	0.8
144.08098	1.3
145.08878	6.9
145.10017	0.8
146.08136	1.5
146.10489	1.0
148.03909	0.7
152.07098	0.5
160.07567	6.4
160.09804	1.2
160.11203	18.7
160.12460	0.9
170.08133	1.8
173.08318	0.6
188.07166	2.2
188.09213	15.4
188.10712	1.9
189.05415	0.6
189.09158	2.0
189.12770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07504	0.2
50.31005	0.2
55.05513	1.5
56.05034	1.6
57.03437	1.1
58.06596	0.3
59.05004	2.3
60.04528	1.2
61.02930	8.5
61.03249	0.4
65.03960	0.3
67.04258	0.3
67.05507	0.5
68.05025	0.5
69.03436	1.2
70.02960	1.8
70.06590	0.5
71.05012	1.3
71.34464	0.3
71.34768	0.2
72.04523	0.6
72.08150	0.3
75.04478	0.9
79.05457	0.3
80.05026	0.2
81.03391	0.3
82.06588	1.8
83.04984	4.5
83.08640	0.6
84.04508	100.0
84.08170	0.3
85.02908	19.6
85.04841	0.6
86.06062	0.8
87.04469	6.4
91.05483	0.5
95.04977	0.2
96.04509	0.3
97.10161	0.7
98.06075	0.6
100.07639	1.5
105.05495	0.4
105.07024	0.5
107.08615	0.8
110.06054	2.5
111.04467	1.2
114.05573	0.2
116.07107	0.3
125.09679	0.5
126.05517	5.0
128.06209	0.4
128.07082	5.0
128.11813	0.2
129.05479	1.2
129.06953	0.2
132.08054	0.4
135.08047	0.5
142.06520	0.3
142.08673	0.4
142.12216	0.4
146.05994	0.4
146.08139	0.8
147.06496	0.5
156.09319	0.5
160.07593	1.8
160.09685	0.4
161.05997	0.7
161.09627	0.6
170.08191	1.0
170.11777	1.5
171.06552	0.4
171.11790	0.3
174.06679	0.3
188.07176	1.0
188.09196	12.0
188.10539	0.4
189.09172	1.1
189.12709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
53.64941	0.8
55.05500	2.0
56.05039	2.9
56.96562	2.0
57.03439	1.2
59.05000	2.3
60.04519	2.3
61.02930	8.2
64.95595	0.6
67.05487	0.9
68.05024	1.0
69.03417	2.0
69.33069	7.4
70.02952	3.1
70.06587	1.7
71.04967	1.7
75.04474	0.7
78.10704	0.7
81.07060	0.7
82.06576	2.1
83.04980	5.2
84.04508	100.0
85.02906	21.3
85.03423	1.0
87.04469	7.7
91.05507	2.3
100.07624	2.3
105.07022	1.6
110.06036	3.6
111.04453	2.1
115.05451	0.9
116.07092	0.8
118.06569	0.8
119.08591	1.1
126.05510	5.5
128.07060	6.0
129.05505	1.4
130.08633	0.8
140.07033	1.3
142.03230	0.8
142.08655	1.1
146.08144	2.8
156.06197	2.6
160.07544	10.5
160.09702	1.9
161.05951	0.7
170.08194	2.6
188.07182	3.3
188.09224	16.4
188.10741	1.5
188.15260	0.7
189.09131	0.7
189.13094	0.7
200.51096	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05518	0.7
56.05038	1.8
57.03445	1.4
59.05005	2.3
60.04522	1.0
61.02930	9.6
68.05043	0.4
69.03441	1.0
69.45561	3.3
70.02958	2.0
71.04993	1.3
75.04485	0.7
82.06586	2.1
83.04984	3.7
84.04509	100.0
84.46487	0.3
85.02909	19.2
85.04842	0.9
86.06063	0.8
87.04473	7.3
87.04967	0.6
91.05491	0.6
94.27470	0.3
98.06055	0.5
98.21473	0.7
100.07621	1.6
103.05467	0.3
105.05447	0.4
110.06073	2.7
111.04446	1.1
113.30764	0.4
118.23179	0.3
120.08102	1.1
126.05524	4.5
128.06198	0.6
128.07077	5.1
129.05469	1.1
139.47310	0.3
146.05971	0.6
146.08162	0.9
147.11668	0.3
151.28615	0.3
160.07599	1.0
161.32274	0.4
170.08116	1.1
171.11670	0.6
188.07454	0.8
188.09186	13.0
189.09195	0.7
189.12732	1.7
205.46318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
57.04535	0.4
61.17214	0.5
71.33488	0.6
71.33818	0.7
74.68851	0.4
84.04523	2.6
91.05478	3.1
96.04538	0.5
115.05459	4.1
117.05782	0.9
117.06996	3.6
118.06551	50.4
119.06855	0.7
132.08084	0.6
142.06522	5.2
143.07315	7.5
144.04449	0.8
144.08095	24.3
144.46770	0.6
145.08458	0.7
146.06017	100.0
147.06348	1.9
160.07590	1.1
160.26282	0.5
170.06023	8.1
188.07083	30.1
189.07457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
53.03951	0.5
54.43940	0.4
55.01858	0.5
55.05515	3.3
56.05036	2.7
56.96564	1.0
57.03430	2.0
57.18575	0.4
59.05008	5.8
60.04521	1.8
60.05639	0.6
61.02639	0.6
61.02929	8.0
67.05500	0.8
68.05027	0.5
69.03423	2.2
69.07061	0.9
69.97138	1.8
69.97570	0.6
70.02951	2.1
70.06595	2.1
70.08960	0.4
71.05000	1.7
72.04501	0.6
72.08157	0.8
72.93788	0.6
73.02919	0.7
75.04473	0.8
75.20943	0.4
81.03419	0.7
81.07073	0.7
82.06588	2.7
83.04980	4.7
83.08621	1.2
84.04507	100.0
84.08124	0.6
84.25677	0.4
85.02909	21.3
85.04831	0.6
86.06062	1.1
86.77998	0.4
87.04465	7.2
90.94822	0.5
91.05495	0.6
96.04518	0.5
97.02869	0.8
98.06066	0.6
98.21423	0.4
100.07626	1.7
105.07047	0.9
110.06044	2.8
111.04453	1.7
115.05492	0.9
116.07082	0.5
118.06576	1.2
119.08638	0.7
120.08144	0.6
124.07620	0.4
126.05531	4.5
128.07080	5.6
128.07957	0.5
129.05516	1.7
130.08678	0.6
131.08575	0.5
132.08092	0.9
132.95839	0.7
142.05051	0.4
142.06544	0.7
142.08690	0.5
144.08055	0.5
146.06021	1.9
146.08081	2.3
146.10550	0.5
148.03993	0.6
156.09363	0.6
160.07584	6.4
160.09697	1.4
161.06053	1.2
170.06020	1.0
170.08157	1.1
174.06712	0.4
174.96907	1.3
188.07164	2.5
188.09232	13.8
188.12904	0.6
188.15170	0.5
189.05385	0.5
189.09183	0.9
189.11275	0.4
189.12852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0603
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
51.20133	0.6
52.76157	0.6
53.03944	1.5
54.14439	0.5
55.01865	1.2
55.05510	2.7
56.05030	1.2
56.96314	0.6
56.96574	3.8
57.03438	1.5
57.07053	0.7
59.05020	0.7
59.06130	1.4
60.04531	1.1
61.02923	1.6
63.50764	0.6
65.03928	0.8
67.05496	3.0
68.99794	5.6
69.03432	6.6
69.07062	1.6
69.26501	1.1
69.26902	6.7
70.02948	0.7
70.06586	2.8
71.01350	1.7
71.04990	2.5
72.08159	2.0
73.02922	0.9
74.06092	1.4
79.05496	2.3
81.03423	13.8
81.07066	5.7
82.06586	2.2
83.01374	0.6
83.04970	2.1
83.06104	1.0
83.08625	2.3
83.76202	0.6
84.02139	1.2
84.04503	8.2
84.08154	1.9
85.02909	6.9
85.04029	0.6
85.06551	1.6
85.07671	0.7
86.06077	1.5
86.09713	2.0
87.04477	1.1
87.05565	0.9
88.02235	3.8
88.03996	0.6
91.05491	1.6
93.07061	0.7
95.01285	0.8
95.04972	3.2
95.08607	3.0
96.04532	0.7
97.02892	3.0
98.03723	0.6
98.20766	1.0
98.97583	2.5
99.04438	3.2
100.03986	2.5
101.07119	1.0
105.07069	1.9
107.08581	0.6
109.02889	18.6
109.03591	1.3
109.06487	0.9
109.10140	1.6
110.06068	0.9
111.00826	2.1
111.04460	1.5
111.09193	0.9
112.01591	14.2
113.02401	0.8
113.06010	1.5
114.05571	1.2
115.05927	0.8
116.22702	0.7
116.98653	2.1
119.01881	0.7
123.04472	0.9
123.08089	2.2
123.11699	1.1
126.03142	3.7
126.05536	1.3
127.03925	87.0
127.05891	2.3
127.08688	0.8
128.02289	0.8
128.04268	1.3
128.07097	2.4
130.08607	0.8
131.08572	2.5
132.04443	0.8
133.10109	1.0
139.01822	0.8
140.07178	0.7
141.01160	3.3
141.05484	23.4
141.07268	1.3
141.09132	0.8
141.10260	1.0
142.05864	0.7
142.08685	1.7
142.12312	0.7
145.10133	5.5
146.99699	0.7
151.04015	0.8
151.07635	0.7
154.02603	1.0
155.03406	100.0
155.04547	4.9
156.03723	1.2
159.06949	1.1
159.08118	1.4
159.11725	1.9
164.05228	2.4
165.04373	1.0
169.04997	5.8
169.06409	1.0
170.08141	1.9
170.12923	0.8
172.12532	1.0
173.00862	1.7
177.00719	1.4
178.04930	0.8
182.03284	1.5
184.05025	0.7
187.02470	0.8
187.03941	0.9
187.06044	7.1
187.07657	3.0
187.11031	3.2
187.12939	1.2
187.14708	4.7
188.09200	2.0
201.16924	0.6
202.73796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63575	0.3
70.66315	0.5
70.66679	1.2
84.04495	3.1
85.02906	1.0
91.05486	2.3
103.05457	0.5
115.05460	4.1
117.05762	0.9
117.07014	3.6
118.06544	56.2
119.06859	1.0
132.08124	0.7
138.91751	0.4
140.55730	0.4
142.06517	4.9
143.07309	10.2
144.08092	21.7
145.06517	1.0
145.08440	0.5
146.06010	100.0
147.06363	1.9
155.06009	0.8
160.07574	1.5
170.06021	8.3
184.52052	0.4
188.07069	34.1
196.46133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05518	6.5
56.05024	4.8
56.96553	3.5
57.03424	3.8
57.07070	3.3
58.06596	1.4
59.06109	1.4
60.95848	1.8
62.01063	1.2
67.05499	6.3
68.05020	2.8
69.03401	2.9
69.07071	21.1
69.99145	6.5
70.02576	1.0
70.02950	4.4
70.06594	25.8
71.04999	8.9
72.04503	4.2
72.08164	1.5
73.02908	2.4
79.05491	9.2
80.05013	4.3
81.07061	13.0
82.06580	17.7
83.05000	6.4
83.08600	2.2
84.04502	2.9
84.08114	2.8
85.02916	10.4
85.06546	9.2
85.83871	1.2
86.06012	1.3
86.09708	31.6
87.10004	1.2
89.03897	1.5
91.05463	1.8
93.07037	4.8
94.06529	2.9
95.01298	2.5
95.04992	2.0
95.08601	1.9
96.04489	1.3
96.08127	12.9
97.02911	2.2
97.04008	4.7
97.06526	13.1
97.07640	4.5
97.10149	1.4
98.06049	6.5
98.09703	15.0
99.04433	1.7
99.05568	4.0
99.08065	3.9
100.07612	18.0
101.95028	1.5
102.96867	7.0
105.07008	1.7
107.08595	2.1
108.08094	2.8
109.06490	2.1
109.07650	10.1
110.03670	6.9
110.06046	15.6
110.09613	1.4
111.04448	3.6
111.08118	1.7
111.09168	1.6
112.07573	2.4
112.11235	8.2
114.05530	10.4
114.08463	1.2
114.09138	6.2
115.04973	1.4
115.07578	2.0
117.03339	3.6
120.97917	10.1
121.00761	1.7
121.06488	1.6
121.10166	2.5
122.09654	3.7
123.04490	1.5
123.09174	3.1
123.11722	1.5
124.07599	17.0
125.02357	2.0
125.05978	24.4
125.07088	13.6
125.09581	1.5
126.05515	10.1
126.09139	5.4
127.03918	2.3
127.07561	5.5
127.08665	16.3
128.06218	2.4
129.06956	2.1
137.97107	1.5
138.98955	19.8
139.01799	4.7
139.03883	4.9
139.07550	1.8
139.11148	1.3
140.06989	3.2
140.10719	21.2
141.10233	5.3
142.07742	3.2
143.08548	3.1
144.10239	2.9
145.02838	4.3
149.10744	2.1
150.09167	2.5
153.05486	29.3
154.06276	10.5
157.00008	4.8
157.10178	6.1
158.06096	2.6
158.11737	2.7
162.00577	3.3
162.03305	1.9
163.01843	2.3
167.03345	1.2
167.06995	1.5
167.11807	35.5
168.06480	1.6
168.10197	10.7
170.05663	2.2
170.10927	3.6
181.02856	6.6
185.04489	2.9
185.05888	1.5
185.08267	8.7
185.12871	100.0
186.05540	2.5
186.07591	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	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.28770	1.2
55.01867	3.2
55.05499	5.4
56.96577	2.9
57.03447	1.6
57.07066	2.3
59.05006	1.2
59.06126	1.9
60.95832	1.3
65.03942	3.5
67.05503	6.1
68.05000	1.4
68.99786	1.8
69.03432	2.9
69.07060	5.3
70.06593	5.8
71.04990	4.0
71.08251	3.9
71.08651	1.0
72.08154	7.8
73.02900	1.2
75.04456	1.4
79.01859	1.9
79.05508	6.0
79.11395	1.0
80.05006	1.7
81.03412	1.4
81.07052	7.1
82.04203	1.4
82.06573	1.4
83.04976	3.0
83.06077	1.5
83.08624	2.9
84.04508	2.9
84.08105	1.2
85.02911	7.1
85.07676	1.8
86.09708	6.0
90.77240	1.3
90.87360	1.1
91.05462	2.5
93.03419	2.2
93.07057	6.1
95.01333	5.1
95.04961	4.1
95.08609	3.9
97.06509	5.2
97.07642	1.7
98.97623	2.1
99.05575	1.6
102.96864	5.2
105.07008	1.5
107.08587	7.0
109.02882	1.9
109.06501	3.0
109.07653	1.5
109.10147	2.8
110.02976	2.1
110.03675	23.8
111.04464	10.3
111.08086	2.0
111.09224	1.4
113.06001	1.7
114.05540	8.4
116.98681	1.6
120.02017	1.6
120.97922	7.6
121.00790	1.6
121.02810	2.2
121.06497	1.7
121.10146	9.9
123.04465	2.8
123.05595	1.1
123.11707	4.8
125.02364	3.6
125.05997	69.7
125.09655	3.7
126.03146	1.8
126.05502	4.3
126.06356	1.4
127.03929	4.9
129.06984	2.0
134.99615	2.2
138.03139	2.0
138.98964	10.2
139.01837	4.3
139.03903	18.5
139.06586	1.3
139.07568	3.9
139.11197	4.4
140.07066	2.1
142.07776	1.6
143.08572	2.4
149.09660	2.0
149.13277	2.3
153.01868	3.9
153.05475	100.0
154.06267	41.5
155.03406	4.0
155.07037	1.7
155.08475	1.1
157.00006	2.4
157.10138	2.1
162.00568	1.8
162.63986	1.5
163.01854	4.3
165.99152	1.3
167.03432	1.6
167.06940	1.7
167.10696	3.2
167.14310	1.5
168.07802	1.3
168.11295	2.6
170.05769	7.2
181.02885	8.7
185.04492	3.8
185.08119	40.7
185.13359	4.5
186.07599	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	185.0809
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
55.01871	0.6
55.05512	3.5
56.96572	1.0
57.03434	1.3
59.04992	0.6
59.06118	1.1
60.04531	0.6
60.95839	0.9
65.03949	1.2
67.05511	2.6
68.05031	0.5
68.99786	1.3
69.03451	0.7
69.07072	1.7
69.59881	4.1
70.06586	1.7
71.04990	2.0
72.08152	1.1
75.04485	0.9
79.01855	1.4
79.05491	1.7
81.07061	2.6
82.04211	0.7
83.04988	4.4
83.06111	0.9
84.04536	0.7
85.02915	3.4
91.05457	0.7
91.42146	0.5
93.07069	2.9
95.01336	5.8
95.04964	2.0
95.08621	1.5
97.02888	0.7
97.06523	2.3
97.07722	0.7
98.06020	0.7
99.04463	0.6
102.96879	1.9
105.07040	0.6
107.01298	0.7
107.08586	1.6
109.02883	1.1
110.03671	22.9
111.04463	7.4
111.08070	0.8
111.09203	0.6
112.07610	0.7
114.05546	2.6
116.98605	0.8
120.97911	2.4
121.00753	1.5
121.01598	0.7
121.06487	1.5
121.10182	4.1
123.00850	0.7
123.04433	2.4
123.08072	0.6
123.11706	1.0
125.02386	0.9
125.05999	69.4
125.09631	1.4
126.05499	1.8
126.06380	0.9
127.03926	3.7
127.08680	0.9
138.03038	1.0
138.98970	3.9
139.01845	0.9
139.03906	17.7
139.07538	0.7
139.11208	1.1
140.07065	0.8
142.02661	0.7
142.06273	0.6
142.07829	0.8
142.09795	0.5
143.08543	0.8
143.99574	0.6
149.09587	1.2
153.05475	100.0
154.06264	36.2
154.07242	0.5
154.07603	0.6
155.03398	3.7
155.07010	1.6
156.04105	0.7
156.99979	0.9
157.10118	1.1
162.62686	0.6
163.01837	1.2
167.10698	1.7
169.04948	0.7
170.05734	8.7
170.10912	1.3
181.02864	3.1
185.04506	1.4
185.08115	39.5
185.13527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29566	60.5
70.30983	79.5
71.59354	62.1
94.57929	59.6
97.74810	73.3
104.16061	56.5
109.27805	65.7
119.01913	75.0
122.44001	73.1
128.01410	66.1
133.93810	65.2
164.32420	74.6
167.02219	100.0
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	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
53.03929	0.9
55.01875	1.0
55.05496	2.2
65.02390	0.6
65.03948	0.8
67.05487	2.2
68.89005	0.6
68.99789	0.9
69.03401	1.2
69.07048	2.0
71.24397	0.8
71.84534	0.6
72.08138	0.8
75.04466	1.4
79.01842	1.3
79.05481	1.7
80.70300	0.6
81.03391	0.8
81.07058	1.7
82.04189	1.7
82.48927	0.6
83.04985	4.1
84.04473	0.6
85.02903	4.3
85.06508	0.8
86.28201	0.8
89.03916	1.0
93.07059	1.7
95.01334	5.6
95.04969	2.2
95.08598	1.4
97.02868	0.8
97.06512	1.3
98.06053	0.6
99.04456	0.8
101.05996	0.8
102.10472	0.6
102.96864	2.5
107.01315	0.6
107.08588	1.6
109.02859	0.8
109.10165	0.7
110.03667	23.1
111.04472	6.6
111.08109	0.7
114.05545	3.4
117.03376	0.9
120.02010	1.0
120.97897	5.6
121.00818	0.8
121.06464	1.1
121.10160	1.4
123.04426	2.2
123.08053	0.7
125.02345	1.3
125.05994	70.7
126.05506	3.6
126.06310	0.9
127.03936	4.4
129.06979	1.9
138.03142	0.9
138.98955	6.8
139.01759	0.8
139.03896	16.5
139.07506	0.7
139.11163	1.0
140.07024	1.1
141.05418	0.7
142.06306	0.9
142.07797	1.3
143.08534	1.8
145.02843	2.0
149.09665	1.0
149.13322	0.8
153.05470	100.0
154.06258	36.1
155.03394	2.7
155.08455	0.6
156.04213	1.0
156.09319	0.9
157.00017	1.5
157.10104	1.5
157.14215	0.8
162.00456	1.4
163.01843	1.4
167.10745	1.1
167.14365	0.9
170.05750	6.1
170.10919	2.0
181.02875	3.6
185.04541	1.7
185.08104	38.5
185.09355	1.5
185.13188	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	184.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01865	1.5
55.05513	4.5
56.05026	3.4
56.96566	5.2
57.02628	0.9
57.03423	0.8
58.06594	0.8
58.70690	0.8
59.06117	3.0
60.04527	1.3
67.05492	3.0
68.05019	2.8
68.05823	0.8
69.03424	1.7
69.07061	2.3
70.06607	3.7
70.37431	1.4
70.37848	2.6
70.42811	0.9
71.04996	1.4
72.08152	1.4
73.02892	1.0
73.06540	2.7
74.06134	0.9
74.38950	0.9
77.83131	0.9
79.05480	3.4
80.04997	1.7
81.04533	1.5
81.07042	2.3
82.06571	2.3
83.04976	1.0
83.06101	2.6
84.04485	2.2
84.08148	24.4
85.02899	1.1
85.07659	1.5
86.06053	1.9
87.04423	0.9
93.07034	2.8
94.06538	1.3
94.24004	0.8
95.04973	2.8
95.06085	2.0
95.08595	1.8
96.04441	0.8
96.05287	2.7
97.02884	2.0
97.06557	1.4
97.07631	3.6
98.07166	1.0
98.21450	0.9
98.97596	5.5
99.05596	1.9
100.03999	1.0
101.00866	1.9
101.95054	4.3
102.57812	0.8
102.96789	1.2
105.03384	1.2
105.07073	0.8
106.03696	1.0
107.04959	20.2
108.05291	1.9
109.07637	2.6
110.06036	2.4
110.10529	0.8
111.04424	1.2
111.09219	1.5
112.07578	0.9
113.06012	1.0
114.06639	1.8
116.98602	5.7
119.01929	20.2
119.96059	2.6
120.01974	1.1
120.97912	2.5
121.06538	1.1
121.10117	2.1
123.04361	1.2
123.08060	1.0
124.04802	1.6
124.07516	1.0
124.08677	1.1
125.02325	0.9
125.06032	1.1
125.07113	3.0
125.09618	1.9
126.09193	0.9
128.07109	0.9
134.99673	5.0
136.08698	1.3
137.02966	9.7
137.97150	3.9
138.05453	1.9
138.06424	1.2
138.09155	2.7
138.12785	1.1
138.98982	4.8
139.11194	1.5
141.05049	1.0
142.03534	4.7
143.01906	2.7
148.03893	1.5
151.68297	0.9
153.05394	1.3
155.98172	3.5
156.07492	1.4
156.13849	100.0
157.04868	1.0
157.14163	1.9
157.44986	0.8
158.99628	2.0
160.04535	2.6
160.98744	1.2
161.01259	1.0
161.02966	4.2
166.04926	5.3
166.08614	2.6
166.09750	2.5
167.06979	1.4
173.04807	0.9
177.00763	4.4
179.03976	2.0
184.04430	1.1
184.05959	1.2
184.07426	2.4
184.09538	1.9
184.10776	4.3
184.13329	50.6
185.07031	0.9
185.13570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0734
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
57.14175	0.8
60.08171	13.7
60.95849	1.8
69.92186	1.6
69.92582	3.8
70.06589	1.0
71.04974	0.9
71.07376	8.3
79.05525	0.9
86.09710	73.7
98.98473	11.8
101.95042	12.1
102.96864	1.6
104.10743	4.8
114.06600	1.1
114.44318	0.8
119.01944	1.5
119.96077	7.9
120.97900	2.4
124.42628	0.8
125.00013	57.2
137.97121	10.8
138.09142	1.0
138.98952	4.6
142.97707	1.1
143.01056	1.3
155.98158	6.3
156.13843	4.1
160.98709	5.1
162.00528	1.8
166.04971	1.2
171.67686	0.7
178.99780	3.5
184.07358	100.0
184.13368	1.7
184.16924	0.8
185.07823	1.5
185.13174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0606
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
56.96587	0.6
65.03954	1.4
71.05067	1.0
74.94484	0.4
80.87768	0.4
91.98933	0.4
92.05022	1.8
101.00890	0.8
110.06054	1.0
119.01913	2.2
120.04483	1.8
137.03023	0.7
138.05498	5.7
148.03938	84.0
149.04265	1.2
156.13872	0.8
161.02957	0.7
166.05005	100.0
167.05371	1.0
184.06065	16.6
184.13292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.24753	0.7
56.93094	0.7
60.07885	0.9
60.08168	15.6
64.36673	0.6
70.86966	1.3
70.87285	1.0
71.07385	7.8
71.78875	0.7
86.09709	79.6
87.10042	1.4
98.98470	12.2
101.95042	2.7
103.61662	0.7
104.10739	3.1
119.96096	1.5
120.97858	0.9
125.00011	62.0
137.97112	2.2
138.09201	0.8
138.98917	1.0
143.01035	1.2
155.98169	1.3
156.13870	0.9
160.98706	0.7
184.07352	100.0
185.07657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03938	2.3
55.05496	3.3
56.96552	2.0
58.02953	2.2
59.48031	0.7
64.77001	0.9
65.03948	2.1
67.05169	1.2
67.05507	14.2
68.05001	0.9
68.53831	0.8
69.07059	3.4
70.06551	1.2
70.20353	3.7
71.79900	0.8
73.53185	0.9
79.05059	1.4
79.05495	20.9
80.04995	1.6
81.03396	0.9
81.07063	29.1
82.02939	1.4
82.06590	2.1
83.08612	1.8
84.08133	1.5
86.02435	4.1
91.05463	3.7
92.54787	0.8
93.05807	5.4
93.07012	1.2
94.06571	1.0
95.04966	10.2
96.04485	1.6
97.05252	0.9
97.06551	5.4
98.06066	2.2
98.09695	2.2
98.97604	6.8
98.98494	0.8
99.97903	3.1
106.06520	1.5
107.07346	2.3
108.04482	1.3
108.08122	45.5
109.06532	5.6
110.06049	4.0
116.98643	7.4
117.98930	2.3
118.06548	2.3
118.98232	0.9
120.04499	1.3
121.05242	2.4
122.06015	1.8
123.04425	5.5
123.05489	1.5
124.07567	1.7
125.06001	22.7
126.05525	25.3
126.09158	15.4
134.06047	1.0
134.99663	5.1
135.99968	2.4
136.07584	68.8
137.05951	2.4
138.05478	3.1
140.04660	1.2
140.07170	1.2
140.08144	3.9
141.05460	0.8
146.60849	0.7
152.07086	0.8
153.00746	1.5
153.05443	1.3
153.07828	1.7
154.07352	1.3
154.08630	24.0
155.07033	1.3
161.91200	0.7
164.07074	73.1
171.55638	1.1
180.56114	0.8
182.00879	1.2
182.08128	100.0
183.06479	0.8
184.72311	0.8
190.14827	0.8
202.71722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05512	5.1
56.96529	0.7
57.03432	1.1
57.07063	2.1
58.02962	26.4
67.05174	0.9
67.05510	14.8
69.07069	52.5
70.06574	1.7
71.30956	1.0
71.31286	0.8
74.06080	1.2
79.05498	4.8
81.07057	15.4
83.04993	1.3
83.08625	6.8
84.08150	5.9
86.06062	0.8
91.05485	3.0
93.07046	7.1
95.04971	1.9
95.08608	4.8
97.06529	2.5
98.06035	2.6
98.09678	1.7
98.97594	3.7
99.97921	1.6
100.07613	5.3
105.07034	12.1
107.08595	13.4
109.06508	1.3
109.10159	40.2
110.10492	0.9
112.07599	1.4
114.09164	12.4
116.98615	2.9
117.98978	1.6
119.08582	1.6
121.10135	1.0
123.04456	0.7
123.08091	0.6
123.11723	5.0
125.30762	0.6
126.09157	12.3
126.12805	0.7
133.10136	24.8
134.10506	1.1
134.99689	3.0
135.11690	14.3
135.99977	0.9
137.13228	0.8
138.12796	15.3
140.04628	0.7
140.10727	1.0
140.14259	1.5
147.11714	3.6
151.11200	8.1
153.00772	1.0
153.12750	10.2
154.15900	1.2
158.01242	0.7
164.14305	1.9
165.12758	2.1
182.15413	100.0
183.11696	0.7
183.15704	2.3
191.14156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Amino-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
53.03949	5.5
55.01871	5.5
55.05515	2.5
56.96556	4.9
60.04525	5.3
65.03937	14.6
66.35114	2.0
67.05508	11.8
69.03422	3.0
70.06619	3.0
70.68235	6.4
71.05011	2.5
79.05493	5.1
80.04993	3.0
81.03423	4.3
81.07065	19.3
82.06590	4.9
83.04968	5.8
84.04524	2.6
91.05479	38.4
92.04992	4.0
93.03416	6.9
93.05791	3.6
93.07058	8.8
94.02884	2.2
94.06569	14.1
95.04970	74.0
96.04489	4.2
98.06065	5.6
98.07219	3.9
98.12019	2.3
98.97569	12.8
99.97943	5.3
107.07347	2.9
108.08120	30.5
109.06526	24.8
109.07733	2.5
110.06036	14.7
111.04447	37.6
112.07652	4.3
116.98631	13.3
117.98946	7.9
118.06538	26.7
118.97445	2.4
119.04942	34.7
120.04539	3.3
121.06493	2.9
122.03711	2.5
122.06020	10.5
123.04436	95.7
124.07568	3.7
126.05525	9.2
126.09134	5.3
134.06021	6.1
134.99649	11.4
135.06778	2.9
136.00024	5.1
136.07584	77.1
137.05980	57.4
138.05504	11.9
138.06490	3.0
139.03946	3.0
140.04643	4.4
140.08189	10.2
146.06013	36.1
147.04416	42.4
152.07065	5.2
154.08661	13.8
164.07065	100.0
165.05499	36.3
182.04828	2.8
182.08107	51.5
182.09528	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	182.0814
Annotation	3-Amino-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
53.03937	7.9
55.01865	6.6
55.05515	4.6
56.96555	12.2
57.35452	3.6
60.04502	5.2
65.03926	9.4
67.05496	12.6
68.05023	3.3
69.62126	7.5
69.62530	17.6
70.06590	7.7
72.04489	4.0
79.05502	8.4
81.03435	5.5
81.07072	17.5
81.70422	3.5
83.04962	6.7
84.04544	4.2
91.05486	39.2
93.03410	4.3
93.07036	11.1
94.06555	10.2
95.04969	92.5
96.04491	7.6
97.05282	4.4
98.06044	8.1
98.07162	3.6
98.97577	29.0
98.98456	5.6
99.85567	4.0
99.97920	12.1
105.03404	7.4
108.04459	5.1
108.08121	24.6
109.02917	4.2
109.06503	23.1
109.07626	4.7
110.06034	11.6
111.04436	32.6
116.98641	33.0
117.98963	10.7
118.06570	23.3
119.04942	38.6
121.10106	3.9
122.06016	11.5
122.07017	3.6
123.04443	99.7
123.05495	11.0
123.08013	5.0
125.02402	4.8
126.05530	9.1
126.09161	6.0
134.06027	10.4
134.99661	30.5
135.06807	3.6
135.99989	12.7
136.07588	92.5
136.75072	3.7
137.05972	74.7
138.05498	11.8
140.07198	4.5
140.08189	22.7
146.06029	33.7
147.04419	46.1
147.08110	3.8
153.00684	9.3
154.01097	3.9
154.06021	4.2
154.08664	14.5
164.07080	100.0
164.08391	7.5
165.05490	37.9
182.00909	7.4
182.05457	7.1
182.08066	50.1
182.09259	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03921	1.2
55.01883	1.4
55.05511	3.4
55.81853	1.3
56.96570	3.0
57.07077	28.8
59.04995	2.1
67.05518	3.2
69.07075	3.2
70.80317	4.2
73.29363	1.2
74.58434	1.2
78.33026	1.1
79.05495	9.6
81.03427	4.4
81.07062	4.8
83.04985	55.1
91.05487	2.2
93.07046	7.7
95.04969	19.3
97.06527	31.4
98.97594	22.2
105.07052	5.0
107.04977	1.7
107.08598	9.4
109.06492	1.8
116.98629	29.5
119.08587	2.1
121.06541	2.6
121.10154	10.1
125.06000	92.6
126.06327	2.2
130.07822	1.9
134.99666	29.6
135.11732	5.7
140.00188	6.8
145.10115	9.1
153.00700	7.4
154.66457	1.3
158.01312	7.5
163.04034	1.9
163.11189	100.0
181.05022	2.0
181.12239	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	14.5
57.07073	9.1
71.61391	3.4
71.61757	3.3
77.81535	2.3
78.72565	2.3
79.05471	5.6
79.82872	2.3
81.03421	4.8
81.07073	4.1
83.04977	17.5
91.05450	2.4
91.67975	2.4
93.07034	7.6
93.84579	2.2
95.04968	7.2
97.06522	10.5
98.97581	42.1
105.06999	3.8
106.87066	2.5
107.08581	5.1
116.98622	61.6
121.10136	7.2
125.05989	32.7
134.99655	100.0
135.04417	4.5
135.11713	3.6
140.00201	7.9
145.10101	4.7
153.00688	20.1
158.01260	34.4
163.03975	4.6
163.11171	32.7
176.02347	5.4
181.02844	6.7
181.04984	6.6
181.10138	2.6
181.12181	15.2
182.08151	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.50015	1.0
53.03938	1.3
54.42881	0.8
55.01860	1.6
55.05503	2.4
56.96563	5.9
57.07079	29.2
59.04985	2.2
65.03927	1.1
65.70132	1.0
66.14301	0.9
67.05516	2.4
69.03424	1.7
69.07081	5.1
70.32680	1.9
70.33092	3.6
71.95269	1.1
79.05505	10.9
81.03421	7.1
81.07051	5.1
83.04987	56.2
85.06516	1.0
91.05472	3.2
93.07078	6.5
95.04971	18.6
95.08647	1.0
97.06540	31.9
98.97588	22.1
105.07056	4.9
107.04969	2.5
107.08607	9.7
109.06492	1.3
116.98619	35.4
117.07018	1.2
119.08555	3.7
121.06522	3.2
121.10160	13.1
123.08093	1.8
125.05998	86.5
129.23402	1.0
129.77301	1.0
130.07776	1.3
134.99667	51.9
135.08028	1.6
135.11723	7.4
140.00201	5.7
145.10127	11.4
153.00739	12.2
158.01270	19.9
163.03925	2.4
163.11188	100.0
164.11540	1.7
176.02287	4.1
181.02869	2.8
181.04903	3.0
181.06418	1.2
181.08630	1.1
181.12233	39.7
182.12733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03957	0.7
54.98653	0.3
55.01869	0.4
55.05512	0.8
56.05041	0.4
56.96567	4.0
57.03446	0.4
59.06135	0.8
63.02385	0.6
65.03952	0.8
67.05513	0.7
68.05042	0.8
69.03430	0.6
69.07065	0.5
69.74333	1.8
70.02303	0.3
70.06596	0.4
71.05008	0.4
71.95269	0.6
79.05496	3.7
80.05018	0.5
81.03424	0.6
81.04547	0.6
81.07071	0.5
82.06614	0.3
83.05000	0.7
83.06112	1.4
83.08598	0.4
84.04510	0.4
85.02912	0.3
85.07670	0.5
89.03920	13.2
90.04282	0.3
91.05475	2.5
91.99857	0.2
93.03407	0.5
93.07041	1.2
95.05009	1.2
95.06086	0.6
95.08608	0.4
97.02899	0.3
97.04005	0.3
97.06585	0.3
97.07693	0.6
98.06092	0.3
98.07207	0.4
98.97589	24.6
99.05604	0.7
103.05478	0.6
107.04964	6.0
107.08610	1.0
109.02872	0.3
109.06509	0.6
109.07663	0.7
110.03588	0.3
110.07139	0.4
111.04455	2.1
111.05589	0.3
116.98630	31.8
117.03384	15.9
117.04242	0.5
119.04965	0.6
121.02860	0.3
121.06532	0.9
121.10157	1.2
122.07179	1.2
123.05548	0.5
124.08739	0.9
125.06029	0.8
125.07089	0.5
134.99669	39.5
135.04427	37.5
135.08037	1.0
135.11707	0.6
136.04840	0.4
136.08714	0.6
137.05983	0.9
137.07053	0.4
139.03905	2.1
139.07544	0.3
139.11299	0.3
140.00206	1.6
140.08191	0.8
141.08943	0.3
141.89731	0.3
145.02853	19.7
145.10144	0.5
149.06024	0.5
153.00722	7.7
153.05470	0.8
153.09135	0.4
158.01260	4.7
163.03912	100.0
163.11145	1.0
164.04283	2.1
164.08202	1.0
176.02354	0.6
177.00717	0.3
181.02689	0.4
181.05016	3.0
181.06447	0.4
181.08624	0.8
181.10837	2.4
181.12277	1.0
186.05573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03945	4.4
55.01881	6.7
55.05511	29.4
56.96562	2.3
57.03446	3.5
57.07073	1.5
59.05006	1.4
64.01014	0.7
65.03944	2.9
67.05505	100.0
68.05844	1.3
69.03442	1.0
69.07066	15.0
70.01474	3.9
71.04993	2.8
79.05494	62.7
80.05819	1.0
81.03419	20.0
81.07058	89.0
82.07396	0.8
83.04984	33.4
83.08623	16.0
83.66818	0.6
85.06545	2.5
90.92353	0.6
91.05482	51.8
93.07046	43.8
95.04966	12.0
95.08607	72.5
96.08936	1.9
97.06532	36.0
97.10139	3.5
99.08110	3.2
105.04543	1.1
105.07033	24.2
106.07351	0.9
107.07874	0.9
107.08589	11.7
107.32581	0.6
109.06519	5.8
109.10147	11.3
111.08090	9.4
113.09642	9.9
117.07006	1.9
119.04950	1.5
119.08582	31.8
121.10140	7.0
123.08091	4.1
131.08585	1.1
133.10132	22.1
135.11694	8.8
137.09607	2.7
147.04408	1.6
159.11713	1.2
161.05957	1.0
161.13258	20.5
161.14597	1.3
179.03357	3.3
179.06924	0.8
179.14310	65.1
180.14656	1.6
186.52824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.01872	8.0
55.05515	26.4
56.96590	1.5
57.03434	3.3
57.07077	1.5
58.04118	0.8
59.04985	1.2
65.03930	3.5
65.09101	0.9
67.05508	100.0
68.05840	0.9
69.03423	1.1
69.07069	16.9
69.50672	5.5
70.46829	0.7
71.04991	3.2
73.06561	0.8
74.67068	0.7
79.05498	68.9
80.05820	0.9
81.03426	20.4
81.07062	98.8
82.07385	1.1
82.96784	0.7
83.04987	36.6
83.08630	16.4
85.06534	3.6
91.05486	54.1
92.05810	1.2
93.07052	43.8
94.07307	0.7
95.04971	13.5
95.08610	71.7
96.08912	1.4
97.06537	34.3
97.10168	3.4
98.06841	0.8
99.08098	2.8
105.07037	28.3
107.08602	10.4
108.15177	0.7
109.06525	7.0
109.10159	12.6
111.08094	8.7
113.09653	10.6
117.07055	2.3
119.04924	1.4
119.08587	35.2
121.10162	7.3
123.04405	0.9
123.08082	4.5
131.08578	1.4
133.09137	1.1
133.10141	22.8
135.11713	8.3
137.09625	1.9
147.04384	1.4
159.11707	1.2
161.13266	20.5
179.03383	3.5
179.06744	0.7
179.14320	80.3
180.14627	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03953	0.4
54.03463	0.4
55.05505	1.0
56.05036	1.0
56.96568	7.2
57.07072	0.4
59.06131	0.5
61.18080	0.3
63.02389	0.5
65.03934	0.4
67.05498	0.7
68.05040	0.8
69.03445	0.6
70.06593	0.8
70.60566	1.4
71.04962	0.4
71.95275	0.8
72.04527	0.5
74.06070	0.6
79.05494	3.5
80.05021	0.5
81.03413	1.1
81.04540	0.5
81.07038	0.9
82.06603	0.4
83.04991	0.6
83.06088	1.7
84.04517	0.8
85.02884	0.6
85.07668	0.8
86.09721	0.4
89.03916	10.5
91.05495	2.3
93.03435	0.5
93.07028	1.8
95.04970	1.7
95.06100	1.3
95.08604	0.7
97.02911	0.8
97.06520	0.7
97.07658	1.0
98.06075	0.4
98.07172	0.5
98.97584	33.1
99.04467	0.4
99.05576	1.2
103.05515	0.5
105.04489	0.5
106.05820	0.3
107.04944	4.7
107.06070	0.5
107.08590	1.1
109.06543	0.6
109.07620	1.5
110.07155	0.8
111.04414	1.8
111.05595	0.8
111.08047	0.6
111.09254	0.4
114.06648	0.6
116.98619	44.1
117.03378	13.5
119.04948	0.7
121.06490	1.6
121.10125	0.9
122.07153	1.5
123.04478	0.4
123.05568	1.0
123.08047	0.4
124.08688	0.6
125.06021	0.7
125.07120	0.7
134.99657	49.2
135.04414	29.8
135.08058	1.4
135.11736	1.0
136.04857	0.6
136.08725	1.3
137.06010	1.1
137.07028	0.5
138.06528	0.4
139.03905	2.6
140.00156	1.9
140.08179	0.9
145.02847	19.4
145.10109	0.5
146.03162	0.4
149.02354	0.4
149.06001	1.3
153.00705	10.6
153.01903	0.7
153.05556	0.7
153.07259	0.4
154.09697	0.6
158.01245	6.1
158.02455	0.5
163.03903	100.0
163.11156	1.0
164.04303	2.0
164.08191	1.2
176.02333	1.4
181.04965	3.4
181.06378	0.5
181.08565	1.7
181.10818	3.5
181.12253	1.8
182.01013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.03959	0.8
55.01874	1.4
56.05053	0.8
56.96569	2.6
57.03447	0.6
59.06137	0.4
60.04536	0.6
65.03941	0.7
67.05505	0.7
68.05031	1.0
69.03426	0.9
69.04550	0.6
69.07099	0.4
69.48531	3.0
70.06600	0.6
71.04990	0.4
73.02885	0.3
79.05495	1.5
80.05017	0.7
81.03426	1.4
81.04545	1.2
81.07071	1.0
82.03744	1.6
82.06587	0.4
83.04980	0.4
83.06103	1.9
83.22354	0.3
84.04523	0.6
85.02909	0.9
88.02222	1.3
88.75584	0.3
89.03923	0.5
91.05488	3.9
92.04980	0.6
93.07072	0.7
94.06577	0.5
95.04964	1.8
95.06081	1.9
95.08611	0.6
96.01572	0.4
96.04485	0.7
96.05621	0.5
97.06449	0.4
98.07240	0.4
98.97589	0.7
98.98468	0.5
99.04488	0.5
101.07146	0.6
104.04991	0.3
105.07041	2.5
106.06576	0.7
107.04964	0.5
107.08598	1.0
108.04497	0.4
108.08120	0.4
109.02881	0.7
109.06499	0.8
109.07648	0.6
110.03159	0.5
110.07189	1.0
111.04455	0.6
111.05635	0.5
115.05516	0.5
115.97869	0.4
116.98608	0.6
117.05698	0.4
117.07045	0.5
117.98981	0.4
118.06563	5.5
118.96757	1.1
119.04959	4.8
119.07330	6.1
119.08586	0.6
120.05623	0.6
122.06027	1.0
122.07166	1.1
123.04409	2.0
123.07997	0.5
131.53343	0.3
132.04469	0.8
132.08083	1.4
133.02859	1.5
133.06502	1.7
133.10147	0.9
133.99026	0.4
134.07098	0.9
134.09657	45.8
134.99666	1.0
135.03099	1.5
135.04332	0.4
135.09964	0.9
135.99997	0.5
136.02184	0.4
136.03931	0.5
136.07571	0.7
136.08696	0.9
137.06007	3.3
137.07014	0.5
137.07190	0.5
137.08218	3.3
137.09305	0.3
137.09744	0.5
138.06662	0.6
138.08986	0.5
144.03612	1.9
146.03226	0.4
146.53918	0.5
147.03363	0.6
147.04424	6.2
150.02769	0.4
150.05418	1.7
150.06528	0.4
150.09033	0.4
151.03906	1.1
151.07587	1.8
151.08662	0.3
151.09837	1.0
151.11107	0.5
151.94113	0.5
152.08186	0.6
154.01158	0.4
154.96484	0.7
155.54404	1.6
155.99632	0.4
160.03941	1.4
160.07578	0.8
160.11221	0.9
161.02335	0.7
161.06003	2.1
161.08180	0.9
161.09546	0.6
162.06577	0.4
162.09103	1.6
163.09862	0.8
164.04234	0.3
172.95244	0.6
174.00740	1.1
177.98091	0.9
178.04904	5.2
178.08760	2.4
178.12273	100.0
179.03394	6.1
179.07108	4.8
179.09254	1.2
179.10695	1.3
179.12668	2.9
185.80104	0.3
190.96281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0863
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
53.04004	0.7
55.01719	0.5
55.01937	0.8
55.05572	0.4
55.18383	0.4
56.05112	2.3
56.96651	1.9
57.03490	0.6
59.06190	0.5
60.04593	0.6
60.05707	0.4
65.04000	0.5
67.05260	0.5
67.05590	1.2
68.05072	0.6
68.17966	0.4
69.03500	0.7
69.07132	0.8
69.96970	1.6
69.97383	0.8
70.06685	2.2
71.05065	0.6
76.02296	0.6
78.04769	0.6
79.05576	2.4
80.05077	0.8
80.47157	0.4
81.03468	1.0
81.04592	0.8
81.07140	1.5
82.06681	0.4
83.05022	0.7
83.06153	0.9
84.04578	0.6
87.07995	1.0
88.02299	1.9
90.04311	0.7
91.05487	7.0
93.07121	1.8
94.06659	1.3
94.07454	0.7
95.05077	1.9
95.06120	0.9
95.08665	0.9
96.04530	0.6
96.09003	0.5
97.06482	0.6
97.07713	0.6
98.07215	0.8
98.09778	1.2
98.97675	0.7
99.04514	0.6
99.10090	0.8
100.05302	0.7
103.05534	0.8
104.05027	0.8
105.03472	0.8
105.07054	4.5
106.06641	0.8
107.04985	3.3
107.08690	1.7
107.57360	0.7
108.04545	0.6
108.08185	0.9
108.08949	0.8
109.02934	1.2
109.06575	0.7
110.07225	1.4
111.02111	0.6
112.08749	0.5
115.05477	4.8
117.03452	0.6
117.05788	2.2
117.07022	0.5
118.04233	1.3
118.06552	7.7
118.07323	0.6
118.96822	0.6
119.04954	5.8
119.06979	0.6
119.08679	0.5
120.05679	0.8
120.08160	1.4
121.02922	2.0
121.06466	2.1
121.10161	0.6
122.06091	1.0
122.07029	0.6
122.09714	0.7
122.10526	1.0
123.04433	4.8
123.08130	0.7
124.05191	4.6
126.02621	1.4
127.03957	0.8
127.58870	1.0
130.06540	0.5
132.04468	21.8
132.05515	1.1
132.08095	35.2
133.02867	0.9
133.06488	3.3
133.08507	0.6
133.10179	1.4
134.06046	1.1
134.07208	0.6
134.09605	0.7
134.59720	1.3
135.03104	1.6
135.04448	0.9
135.11697	0.7
136.03975	0.8
136.05083	0.5
136.07585	10.9
137.02348	15.0
137.03413	0.8
137.05981	4.2
137.08234	3.7
137.53336	0.6
140.04903	0.6
140.59653	0.5
142.06520	9.2
144.03627	5.3
145.05264	0.6
146.03656	5.9
146.53918	1.4
147.04393	3.8
148.07643	1.5
149.05995	1.3
150.02745	0.6
150.05504	2.0
150.06413	1.8
150.09114	2.2
150.12801	0.7
151.03941	1.8
151.07570	5.4
151.08675	0.9
151.09821	1.3
151.13185	0.6
155.11758	1.1
155.54366	3.1
155.61974	7.0
156.12138	0.8
160.07588	100.0
161.05986	3.9
161.08018	2.6
161.09471	0.7
162.05487	0.6
163.02657	18.4
163.03889	1.3
163.06288	0.5
167.05170	0.5
178.04970	49.3
178.08553	21.7
178.10948	3.6
178.12193	0.6
178.13332	0.5
179.03450	4.8
179.05313	0.8
179.07034	6.2
179.08675	0.6
179.09319	1.1
179.10634	1.0
179.14301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02410	0.6
53.03964	1.5
55.05514	9.3
55.05748	0.7
56.96584	1.4
57.07083	1.3
63.02390	1.2
65.03966	1.3
67.02993	8.9
67.05502	3.7
69.07076	18.2
69.51318	5.3
78.04713	3.3
78.93665	0.6
79.05499	9.2
81.03441	2.3
81.07056	8.3
81.07446	0.8
83.08627	12.4
89.03924	40.7
90.04272	1.3
91.05486	10.2
93.07055	26.0
95.04975	2.4
95.08614	25.9
95.19777	0.6
97.10180	2.3
98.20792	1.4
98.97563	0.9
98.98468	3.4
103.05453	2.9
105.03412	1.0
105.07043	7.1
106.04173	3.1
107.04993	0.7
107.08603	59.1
108.08936	0.7
109.02859	0.8
109.06492	1.0
109.10168	11.5
115.05435	0.7
117.03390	73.2
117.07037	2.8
118.03735	2.5
119.04981	1.0
119.06081	0.6
119.07758	0.6
119.08590	2.1
119.34940	0.6
121.02972	0.8
121.06532	2.6
121.10153	80.5
122.10470	0.9
123.08111	1.0
123.11736	0.7
124.05228	1.1
131.04913	0.9
131.08601	1.6
133.10133	0.9
134.03648	9.6
134.07239	0.7
134.99684	0.7
135.04436	5.6
135.10686	0.9
135.11710	17.8
145.02858	100.0
146.03191	3.2
147.04379	0.8
149.02324	4.0
149.05991	27.4
149.13278	5.8
150.06381	1.1
155.11768	0.8
158.06039	1.1
159.11658	1.6
162.03207	2.9
162.06732	1.5
163.03935	2.7
174.09512	0.5
177.05441	40.9
177.06625	3.9
177.09077	14.3
177.12764	2.8
177.16402	56.6
178.05861	1.7
178.08566	0.9
178.16733	1.4
181.76006	0.6
182.52548	0.6
186.05478	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37918	0.3
53.03944	0.4
55.01868	0.7
55.05499	0.5
55.92507	0.4
56.05837	0.4
56.56414	0.4
65.06103	0.5
65.56297	0.5
67.05515	0.6
70.06590	1.6
70.07044	1.9
71.06943	0.5
71.59051	0.4
78.04713	2.1
81.03427	0.9
87.07954	0.9
95.04980	1.5
98.09676	1.1
104.04971	0.5
106.04180	0.7
109.02879	0.4
114.10297	0.6
122.09657	0.7
123.04417	1.0
124.05217	14.8
127.03938	1.1
132.04448	0.7
134.59634	1.2
135.03116	0.9
137.02353	45.0
137.08186	1.0
138.02670	1.0
140.59647	0.8
144.03537	1.0
147.04570	0.4
151.03894	1.6
151.13258	0.4
155.11806	0.7
155.61969	3.9
156.12033	0.8
158.15677	0.4
160.03912	0.5
163.02654	47.4
164.02975	1.3
175.11855	0.4
178.05005	100.0
179.03856	0.4
179.05360	2.6
179.06827	0.6
181.03656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Isalexin
Peak:m/z	Relative Intensity
50.98885	0.4
55.05513	0.6
57.03429	0.5
57.07072	0.5
59.04865	0.6
67.05499	0.7
69.07050	0.7
69.27130	3.4
69.27539	1.4
70.06609	2.2
71.06090	0.9
71.06916	0.6
72.08163	0.7
78.04700	1.7
79.05506	0.7
81.03404	1.5
82.68620	0.4
85.02943	0.4
87.07948	0.8
91.05505	0.4
93.07035	0.7
95.04999	0.8
95.14085	0.4
98.09682	1.1
104.05016	0.9
105.07034	0.6
106.04176	0.9
107.57285	0.4
108.08134	0.9
109.02874	0.9
114.10326	0.5
118.06488	0.5
119.04963	0.6
119.07058	0.5
119.08526	0.5
119.57284	0.6
120.58123	0.5
122.09657	0.7
123.04398	1.3
123.10029	0.4
124.05221	15.7
127.03882	0.9
127.58835	0.7
134.59593	0.5
135.03128	1.2
137.02351	44.6
138.02643	0.8
144.03633	0.8
147.04468	0.5
150.09154	0.5
150.12845	0.5
151.03923	1.7
152.08275	0.5
155.11789	0.9
155.54355	0.6
155.61975	5.8
156.12111	0.8
156.62794	0.7
163.02657	48.8
163.17488	0.4
164.02974	1.4
178.05005	100.0
179.03452	0.5
179.05328	2.0
179.06818	0.6
181.03661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.03129	0.5
53.03928	0.6
55.05515	5.6
55.39811	0.4
57.07076	1.1
60.05653	45.3
65.03943	0.7
65.04576	0.5
67.05510	2.8
69.06768	0.3
69.07072	13.2
70.06596	100.0
70.86508	1.0
71.04985	1.7
71.06939	1.3
72.08167	5.0
74.45568	0.6
79.05499	2.9
81.07062	9.8
83.08622	2.5
85.02909	1.0
88.07642	1.0
91.05485	9.0
93.07046	3.9
95.04965	0.6
95.08614	8.0
97.02875	0.9
97.07661	0.6
98.06044	0.8
98.98470	9.9
103.05489	0.7
105.07039	24.2
107.08610	7.1
109.10168	1.0
112.08756	4.9
114.10325	1.3
115.05502	1.1
115.08701	1.6
116.07099	35.9
116.89870	0.5
116.97228	0.7
117.07029	2.1
119.08588	63.8
120.08927	1.7
121.10159	2.2
129.07002	1.1
130.06517	0.6
130.09773	14.4
131.08606	3.8
132.09361	0.7
133.10141	74.3
134.10506	1.8
135.08025	0.6
142.07887	0.9
145.10144	4.8
146.10919	1.3
147.08170	0.8
147.11697	12.9
148.08772	0.6
157.11070	0.8
158.06058	0.5
158.09258	10.1
159.07788	0.7
160.05081	0.6
160.12498	2.2
163.36926	0.5
165.50627	0.5
173.13263	1.6
175.03938	1.0
175.07582	2.6
175.11961	40.6
175.14835	79.4
176.07076	2.0
176.12225	1.0
176.15178	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05509	6.8
57.07067	1.4
58.10953	0.8
60.05650	9.7
63.90618	0.9
64.91367	0.8
67.05515	4.0
69.07070	13.4
69.28887	0.8
69.29191	9.9
70.06596	23.8
71.04982	0.8
71.93515	0.8
72.08147	1.1
73.40672	0.8
73.46046	0.8
79.05492	4.7
81.07060	30.7
83.08597	2.6
89.98000	0.8
91.05485	15.6
93.07053	10.2
95.04972	1.0
95.08613	24.3
95.09231	1.3
98.98460	1.9
103.24981	0.9
105.07034	42.6
106.07334	1.5
107.08599	13.6
108.15302	0.8
115.05456	1.4
116.07091	7.5
117.06997	2.8
119.08585	90.6
120.08914	1.3
121.10165	2.1
130.09793	2.4
131.08554	6.9
132.09373	1.0
133.10133	100.0
134.10463	2.1
134.72620	0.8
145.10124	4.3
146.10876	1.6
147.11696	14.1
158.09224	2.4
160.12459	2.4
162.06975	0.9
173.13310	1.5
175.07628	1.5
175.12019	10.1
175.14828	97.4
176.15155	3.0
179.65619	1.0
185.86078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03934	5.5
55.01879	4.4
55.05517	25.2
56.96556	6.3
57.03447	12.5
57.07076	5.2
65.03925	5.2
67.05511	19.2
69.03424	9.0
69.07077	40.6
69.36353	16.1
70.62860	1.9
71.05002	10.8
78.04720	4.2
79.05063	4.4
79.05499	61.6
81.03435	11.0
81.07066	45.9
83.04979	3.9
83.08627	15.6
83.28255	1.8
84.18581	1.9
88.02227	4.2
89.03407	3.3
89.03925	39.2
91.05489	54.1
93.07053	90.3
95.04973	14.2
95.08050	2.6
95.08616	31.1
97.06507	5.7
98.98478	16.2
103.05457	7.5
105.07032	35.1
106.04201	18.5
107.04965	12.2
107.08602	76.1
108.08961	2.1
109.02849	2.3
109.06516	11.9
109.10130	8.3
115.05476	4.9
117.03386	64.2
117.07033	30.8
119.08595	17.5
119.32927	1.9
121.02860	3.3
121.06525	32.5
121.10149	48.7
122.07298	3.0
123.08128	3.1
124.05266	2.5
129.07042	5.4
130.07755	3.5
131.04929	7.1
131.08582	41.0
133.10143	12.2
134.03647	14.3
135.04416	9.9
135.08061	14.1
135.11745	12.1
144.09380	6.9
145.02856	100.0
145.06561	2.8
146.03172	4.0
148.08791	2.5
149.02347	17.9
149.05998	47.4
149.09622	3.5
149.13274	14.8
159.04422	3.2
159.08069	3.6
159.11714	29.9
162.03134	10.1
162.06729	2.7
163.03917	3.8
172.95218	3.0
177.05479	86.8
177.09050	19.3
177.12759	52.6
177.16383	22.3
178.08504	3.6
186.05531	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	175.1484
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03944	0.7
55.05513	8.3
57.07073	1.0
60.05654	21.6
64.10117	0.4
67.05516	3.3
69.07075	17.7
69.63007	1.1
69.63417	2.3
70.06599	51.8
71.05009	1.0
71.06936	0.7
72.08160	1.9
79.05506	2.9
79.05898	0.4
81.07064	9.4
83.08634	3.5
91.05483	10.8
91.06002	0.7
93.07054	4.9
95.04967	0.8
95.08613	6.7
97.02899	0.9
97.07668	0.6
98.21574	0.7
98.98482	4.0
103.05476	1.0
105.07035	28.5
106.07360	0.4
107.08609	7.7
109.10178	1.1
109.78795	0.4
112.08760	2.0
115.05418	0.9
115.08765	0.5
116.07101	17.9
117.07028	3.2
118.07788	0.7
119.08591	84.3
120.08939	1.7
121.10136	4.2
129.07018	1.4
130.09775	6.9
131.08583	5.1
132.09361	0.5
133.02846	0.7
133.10141	82.3
134.10521	1.5
135.11687	1.0
143.08553	0.5
145.10120	6.7
146.10901	1.5
147.04367	0.5
147.08018	0.6
147.11705	14.1
148.12016	0.8
157.06505	0.5
158.09242	3.7
158.11055	0.6
159.09694	0.5
159.11787	0.9
160.05188	0.5
160.12491	3.5
173.13297	2.4
175.03883	0.6
175.07686	2.3
175.11983	19.6
175.14835	100.0
176.15211	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	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53981	0.3
60.05654	41.6
70.06597	100.0
71.04990	1.5
71.06926	0.8
71.33906	1.1
72.08162	4.5
77.25734	0.4
86.24450	0.4
88.07665	0.8
89.82281	0.4
97.07664	0.9
102.52505	0.4
112.08738	4.4
113.07132	0.6
114.10322	0.7
115.08717	0.7
116.07101	33.2
130.09769	14.0
157.10889	1.7
158.09262	9.9
175.11923	35.6
176.12146	0.5
180.32231	0.4
189.15642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.73388	0.5
55.05512	5.8
59.06168	0.7
60.05648	39.9
63.81414	0.6
67.05499	2.3
69.07067	10.3
70.06593	100.0
70.94379	1.7
71.04992	1.4
71.06919	1.3
72.08155	4.8
77.03942	0.5
79.05506	2.8
81.07059	11.3
83.08623	2.4
84.08177	0.9
85.02918	0.7
88.07606	0.6
91.05480	10.0
93.07042	5.5
95.08610	7.6
95.09162	0.8
97.02902	0.9
97.06558	0.7
97.07652	0.7
98.06055	0.6
98.98472	6.7
103.05464	0.6
105.03429	0.6
105.07030	32.0
106.07353	1.1
107.08595	7.4
111.04424	0.8
112.08729	4.9
113.07154	0.6
114.10288	1.0
115.08714	1.3
116.07092	33.9
117.06969	2.6
119.08581	59.1
120.08952	0.7
121.10149	1.8
127.72189	0.5
129.06993	0.6
130.06554	2.3
130.09761	16.8
131.08560	6.4
133.10132	38.1
134.10474	1.1
145.10168	2.9
146.10918	1.7
147.08070	0.7
147.11687	11.7
147.12781	0.8
150.96848	0.6
153.92267	0.7
157.10963	1.2
158.09247	9.0
160.12578	1.2
173.13283	1.3
175.06189	0.7
175.07623	1.7
175.11940	38.6
175.14830	78.3
176.07066	1.0
176.12317	0.8
176.15169	3.4
176.84129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.71787	1.1
55.01860	1.9
55.05505	2.2
56.96566	8.8
57.03433	57.9
60.05646	44.4
67.05500	3.0
69.03442	2.9
69.07062	3.0
70.06590	100.0
71.04992	2.1
71.58013	2.0
72.08144	4.4
79.05505	3.4
81.07047	4.1
83.04963	2.0
85.02887	2.6
91.05480	13.0
93.07032	1.9
95.04976	2.6
95.08604	3.5
97.02892	4.6
98.20873	1.2
98.98457	51.7
105.07021	10.1
107.08621	2.2
111.04440	1.9
112.08707	6.2
116.04295	1.4
116.07079	41.0
116.99502	2.4
117.07014	3.4
119.04948	1.4
119.08578	37.6
129.07016	4.3
130.06548	1.1
130.09773	12.2
131.08527	3.0
133.06511	2.5
133.10126	14.3
142.07784	3.0
143.05525	1.1
145.10150	1.2
146.07294	1.6
147.04388	2.4
147.08058	3.8
147.11667	5.1
151.93918	3.3
152.05966	5.2
156.52849	1.1
157.04338	2.6
157.10020	2.2
158.09238	11.6
160.08795	1.5
161.06540	1.6
163.56709	2.5
175.03896	2.1
175.07469	6.5
175.11871	30.4
175.14748	15.6
176.06960	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	175.119
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05651	40.9
70.06595	100.0
71.04996	1.1
71.06934	1.5
71.43986	0.4
72.08154	4.3
86.09165	0.4
88.07636	0.5
95.57221	0.3
96.48666	0.3
97.07655	0.6
98.06064	0.6
112.08733	4.8
114.10275	0.8
115.08717	0.9
116.07095	31.6
117.07405	0.4
130.09770	13.9
141.06526	0.5
157.10832	1.8
158.09253	9.9
158.10555	0.6
175.11914	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	175.0867
Annotation	Edaravone
Peak:m/z	Relative Intensity
54.03460	0.7
55.62996	0.5
56.05029	0.5
57.03440	0.6
60.05650	38.1
61.39867	0.4
65.03944	0.9
68.05034	0.6
69.03432	0.8
70.06593	100.0
70.24017	0.5
70.71909	1.7
71.04994	1.8
71.06906	0.7
72.08151	4.3
72.93800	0.8
79.05492	5.0
83.04996	0.6
84.04507	0.5
85.02906	1.4
85.60632	0.5
87.21952	0.6
90.94865	0.7
91.05465	2.7
92.04993	1.1
93.07040	0.8
94.04217	0.7
94.44161	0.5
95.04969	1.6
95.08601	0.6
97.02896	2.0
98.06083	0.7
98.98468	7.7
102.03411	0.5
103.05470	9.6
104.04974	1.1
104.96378	0.7
105.07024	3.4
106.06559	7.8
107.04956	21.6
111.04442	1.3
112.08739	5.4
113.07088	0.8
114.10332	1.2
115.05436	0.7
115.08693	0.9
116.07095	34.9
117.05769	0.9
119.08583	2.5
120.04452	2.3
120.08113	3.7
121.06496	3.5
129.07028	0.7
130.02902	0.9
130.06529	12.9
130.09775	15.0
131.04918	6.9
131.05879	0.9
131.08565	0.6
132.04446	8.3
132.06775	0.6
132.95837	3.7
133.05246	13.4
133.06296	0.9
133.07472	0.5
133.10159	1.4
134.06030	14.6
135.06850	3.6
146.05975	0.6
147.04482	1.0
147.05521	2.7
147.06625	1.0
147.08044	0.8
147.09149	4.0
148.03944	7.1
148.07574	49.6
149.07939	0.9
150.96892	3.2
157.07593	2.5
157.10847	1.6
157.24474	0.7
158.06013	12.6
158.09312	9.7
160.06343	1.8
174.96904	1.0
175.05035	8.3
175.08684	66.0
175.11909	38.8
175.14784	1.8
176.03438	2.9
176.07080	5.6
176.09047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.8
55.05511	48.3
55.74376	3.2
56.96569	62.4
57.03427	12.4
57.07065	5.6
59.04987	6.9
67.05499	17.1
69.03413	7.7
69.31629	25.6
69.32030	7.8
71.04989	7.0
71.06134	4.5
72.93783	11.4
79.05478	15.9
81.07041	13.5
83.04986	62.8
86.06059	4.0
87.04445	5.3
89.02376	3.3
90.90381	14.7
90.94818	8.1
91.05473	15.4
93.07036	7.1
95.04974	6.5
99.04451	3.7
101.06020	44.0
103.03299	9.1
105.07025	12.5
109.06508	3.7
109.10139	5.9
111.04442	46.4
115.05463	6.7
117.06996	14.9
119.08576	10.4
127.07582	8.1
129.05482	39.6
129.07002	8.4
131.08574	38.5
132.05199	5.2
141.05653	19.6
143.07242	3.6
143.08546	10.9
145.06487	7.4
145.10135	20.5
146.06039	5.4
146.08078	5.1
149.94081	22.5
150.06190	47.9
152.56497	12.7
155.07040	45.6
157.32515	3.9
158.07234	3.8
158.10918	15.0
159.06671	20.8
161.01181	5.0
161.57011	12.8
167.97159	5.0
173.05960	4.4
173.08141	100.0
173.09662	13.3
173.13246	51.5
174.05498	4.8
174.07547	16.8
174.12868	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	172.9881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93835	1.0
55.05517	2.1
56.96563	1.4
59.06084	0.4
67.05498	0.6
69.96178	13.5
70.95862	0.4
71.17193	0.8
71.94103	4.5
72.93806	2.8
83.04981	2.1
87.04454	0.6
87.97198	0.7
89.95150	0.8
90.94816	1.7
97.00717	0.3
100.02505	0.6
101.00901	0.4
101.06018	1.4
108.95834	0.6
110.98806	2.2
111.04444	2.8
111.98445	0.5
113.95097	2.3
116.98647	0.5
117.42075	0.3
118.03510	0.4
119.01905	2.5
128.99832	0.9
129.05472	1.4
130.97729	1.4
131.01895	0.7
131.96152	53.5
131.99690	1.4
132.05016	0.9
132.95778	0.6
134.03008	1.8
134.99689	0.5
137.02916	0.6
142.03534	0.5
147.53027	0.5
147.97438	0.6
148.16780	0.4
148.98799	0.5
149.97206	100.0
150.02464	1.9
150.06131	0.8
150.96910	1.3
152.04044	0.3
154.97742	13.8
155.06998	1.8
155.97336	0.4
167.97153	0.9
167.98309	8.1
172.98810	25.8
173.08133	3.1
174.06140	0.7
177.97153	0.4
178.71785	0.4
190.99852	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.5
55.01878	8.5
55.05513	100.0
56.05854	1.4
56.96569	2.0
57.03440	1.7
57.07079	1.4
59.05001	2.8
65.03930	0.9
67.05511	12.8
67.05865	0.7
68.03055	0.6
68.95291	0.6
69.03437	7.6
69.07072	14.3
70.06584	0.7
70.64972	0.7
71.04977	1.4
71.58750	1.1
71.59119	0.6
72.04520	14.2
73.02934	0.7
79.05498	15.3
79.05949	0.9
80.45998	0.6
81.03426	1.3
81.07061	17.9
81.07517	1.2
83.04992	6.3
83.08621	48.8
84.04513	1.8
84.08960	0.9
85.02921	1.3
85.06528	0.7
87.04485	1.5
89.07162	10.1
91.05485	3.1
93.07042	5.2
95.05001	1.1
95.08617	1.5
97.06554	1.5
97.10174	61.1
98.97569	1.2
99.02047	0.6
101.00761	0.6
101.09668	1.6
105.07037	1.4
107.08604	15.0
107.09300	1.1
109.06529	0.7
109.10151	1.1
110.01309	1.4
111.04465	1.9
111.08089	1.8
113.01810	0.6
116.00259	0.7
116.98656	1.1
117.06999	0.7
119.01813	3.3
121.52079	0.7
125.06001	1.4
125.09647	16.1
126.05523	0.8
126.09124	0.7
128.02339	2.7
128.06268	1.2
128.98615	0.8
129.07039	1.9
130.05022	1.8
130.52644	0.7
135.08136	1.4
135.11702	0.7
137.02861	1.7
139.03917	1.7
139.53142	2.6
140.00264	0.7
141.07037	0.6
142.03410	0.7
143.08542	3.4
148.53662	0.7
151.03938	1.1
156.09358	2.4
158.06036	1.3
160.56198	0.9
171.02911	1.4
171.05518	1.0
171.08151	0.8
171.11687	8.9
171.14932	12.3
172.09850	0.7
172.11293	0.8
172.16991	1.2
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
51.99611	0.3
53.03938	1.0
55.01877	2.5
55.05514	4.4
56.05038	0.7
56.96555	1.0
57.03432	0.9
59.06126	0.4
65.03942	21.2
67.05505	2.8
68.02639	0.3
68.99789	6.7
69.03438	2.2
69.07074	1.0
70.06593	1.2
71.01343	0.3
71.04988	0.8
71.33898	0.9
72.04528	3.7
72.08156	0.7
72.93786	0.8
79.05492	0.7
81.03411	3.2
81.07076	0.7
83.01350	1.1
83.04986	9.9
83.06126	0.5
83.08636	1.2
84.04500	0.6
84.08150	0.8
85.02901	0.5
87.05717	0.3
88.07626	1.0
88.62881	0.3
89.07145	2.4
93.03413	4.7
93.07021	0.5
95.04971	0.8
95.08628	0.5
96.02124	0.9
97.02901	1.2
97.06511	0.7
98.06049	0.5
99.05575	0.4
107.04945	0.5
107.08598	0.6
109.02872	0.8
109.06593	0.5
109.51975	0.4
111.04443	76.9
111.09199	1.0
112.04794	1.1
114.29407	0.4
116.04971	0.4
116.98582	0.4
121.02879	1.3
121.03999	5.5
125.02374	0.7
125.06026	0.7
125.09649	0.6
127.03901	0.6
128.06212	0.4
130.05028	0.8
131.05753	0.4
135.11699	0.6
138.54141	0.6
139.03903	100.0
140.04234	1.8
143.03423	0.5
143.08507	0.4
147.54663	0.8
147.96889	1.0
153.01888	0.5
153.05496	0.5
153.09134	0.8
156.03821	0.8
156.09277	0.4
157.01321	0.7
165.97987	1.1
171.02878	1.0
171.06581	8.3
171.11844	0.7
171.14940	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	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03940	4.4
55.01884	2.6
55.05512	16.4
55.81804	2.2
56.96554	8.2
57.03429	7.4
57.07093	2.3
59.04988	2.4
64.56210	1.9
65.03925	6.0
67.05173	4.3
67.05508	63.2
68.99777	3.6
69.03417	7.4
69.07074	29.7
69.22910	2.4
69.36028	2.1
71.05005	23.9
71.37049	2.1
71.60258	2.0
71.60658	3.3
79.05505	18.4
81.03425	12.6
81.07056	58.3
81.09833	2.5
83.04990	17.4
83.08605	6.0
85.02914	4.4
85.06534	16.2
91.05484	14.7
93.05759	2.4
93.07066	13.8
95.04973	8.6
95.08575	12.9
97.02878	3.9
97.06516	3.7
98.03680	4.0
99.04449	5.1
102.03383	2.6
102.60293	2.4
105.07037	31.2
107.04961	10.4
107.08591	35.0
109.02871	31.9
109.06502	14.1
109.10154	100.0
110.03724	11.4
111.00810	15.6
111.03797	2.5
111.04466	6.6
111.08053	4.5
111.54665	2.5
113.05989	7.6
122.54710	4.6
123.04436	4.2
123.08063	5.2
123.11687	13.6
124.04675	7.2
124.07585	5.4
125.06013	4.7
125.09586	2.9
126.03130	31.8
127.03848	4.0
127.07592	3.3
128.95094	4.6
133.10135	29.1
137.02316	11.9
141.05473	92.3
141.07106	4.0
142.05821	4.7
142.08626	2.7
146.96135	3.8
151.03909	4.4
151.07550	3.4
151.11200	15.1
152.07076	3.4
155.12379	2.9
158.43233	2.4
169.04993	51.1
169.07529	5.3
169.08800	3.7
169.10095	6.2
169.12207	4.6
170.08084	7.5
170.09616	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	169.0861
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
50.02935	0.5
53.03944	3.9
55.01873	5.6
55.05512	5.7
56.05030	1.8
56.96575	4.6
57.03436	1.5
57.06757	0.5
57.07058	0.7
58.06594	1.1
59.05005	0.8
59.06136	3.5
60.04527	1.0
65.03940	4.7
67.05513	11.1
68.05032	2.0
68.99796	15.0
69.03423	2.2
69.07066	3.3
70.06601	3.3
71.01359	0.8
71.05000	3.1
71.06119	0.6
71.07378	0.7
72.04529	0.7
72.08160	2.7
76.35288	0.6
79.05502	8.1
80.05037	0.6
81.03426	20.9
81.04527	1.7
81.07068	19.3
82.06586	1.1
83.04991	10.8
83.06093	3.0
83.08647	2.6
84.04541	0.6
84.08154	3.7
85.02901	3.4
85.04052	0.7
85.06563	1.3
85.07679	2.0
86.08455	1.7
91.05468	2.7
91.37067	0.5
93.07057	4.9
94.06588	1.6
95.04986	7.7
95.06120	0.8
95.08616	19.9
96.04482	0.7
96.08109	1.0
97.02892	2.0
97.06506	1.5
97.07662	1.5
97.99173	0.6
98.03667	4.3
98.06089	0.6
98.07199	1.6
99.02729	0.6
99.04497	2.8
99.05579	0.5
99.08104	0.6
99.09258	0.6
100.07589	0.6
105.07038	8.5
107.04965	8.5
107.08609	4.5
108.02153	1.0
109.02888	46.7
109.06538	9.9
109.07641	4.0
109.10173	7.3
110.03742	1.1
110.06055	1.7
110.07204	2.6
110.07887	0.9
111.00034	1.0
111.00811	19.6
111.03815	0.9
111.04473	9.3
111.05561	1.1
111.08102	3.0
111.09216	12.5
112.05118	1.0
112.07639	1.0
112.08760	0.7
112.54459	0.7
113.06032	1.7
113.07149	0.6
119.00167	0.7
121.10147	0.5
123.04444	4.8
123.08078	22.6
123.11725	4.5
124.01616	1.2
124.04633	2.5
124.07562	1.2
124.08723	1.9
125.05968	3.0
125.09596	0.8
126.03146	35.6
126.10267	1.8
127.03928	88.0
127.09817	0.7
128.04286	1.1
128.95139	1.4
132.54196	0.8
133.02849	1.2
133.05161	1.2
133.06500	2.7
133.10155	2.3
135.05553	0.8
137.02354	1.8
139.03867	0.6
141.05478	100.0
142.05830	1.8
142.08661	0.7
142.13474	0.6
146.53943	0.9
146.96173	2.1
151.03917	2.7
151.04982	0.7
151.07552	16.4
151.08466	0.8
151.09779	1.2
151.11200	2.3
152.07077	1.0
152.08171	2.7
152.11821	1.3
154.02634	5.4
155.03435	5.5
155.04588	1.2
155.54366	1.2
163.97740	1.0
169.04985	45.7
169.08687	40.2
169.09877	1.3
169.10901	1.8
169.12245	1.7
169.14511	1.8
170.05743	5.2
170.08083	1.4
170.09480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
53.03945	4.7
55.01874	1.7
55.05501	1.8
65.03931	3.1
67.05504	2.1
68.99792	2.3
69.03433	1.6
69.07057	1.8
69.99947	5.5
70.06609	0.8
74.68667	0.9
79.05496	38.0
81.03421	10.9
81.07038	3.4
82.37681	0.9
83.04973	1.4
85.88572	0.8
93.03366	0.9
93.07029	2.3
95.04978	9.9
95.08622	1.4
97.06529	0.9
99.53429	0.9
105.04519	2.3
107.04960	56.5
107.08601	1.9
108.05289	1.4
109.02883	21.2
109.06525	1.9
109.10140	2.3
110.03670	86.7
111.00812	6.0
111.04554	4.7
111.05553	0.9
111.09202	1.9
120.09061	0.9
123.04394	1.3
123.08081	2.0
123.11688	2.9
125.05998	10.3
126.03139	11.1
127.03909	2.5
137.02350	100.0
137.03346	4.2
138.02582	1.4
141.05470	28.3
151.03897	1.7
151.07439	0.9
154.02586	0.9
155.03389	7.2
169.04979	42.8
169.08714	1.1
169.12422	0.9
170.05516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76823	5.6
69.74877	33.5
69.75276	7.9
90.45612	4.8
99.11025	4.9
100.64994	5.1
111.04436	5.0
124.03694	9.9
126.03182	10.9
141.05470	23.3
151.04800	100.0
152.03186	47.0
169.05933	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	169.0496
Annotation	Methyl 3,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
52.65296	1.0
53.03933	1.8
55.01866	1.6
55.05503	2.8
56.05031	5.7
57.03425	1.1
57.04542	1.5
58.06588	3.4
59.06125	16.3
60.04517	1.9
60.05650	1.4
64.59142	1.1
65.03934	2.3
67.05497	3.2
68.05020	4.2
68.99773	4.3
69.03422	2.0
69.04544	4.5
69.07061	2.3
69.91390	6.5
70.06602	8.1
71.04985	2.1
71.06112	3.1
72.04527	1.3
72.08150	4.1
74.28605	1.0
79.05483	4.0
81.03422	9.8
81.07039	4.9
82.06567	1.8
83.04973	3.0
83.06103	7.8
84.04500	2.2
84.05637	8.7
84.08141	13.6
85.02899	2.0
85.04010	4.0
85.07185	1.8
85.07667	26.8
86.06077	6.5
86.07175	2.3
86.09689	1.6
87.05579	1.3
93.07029	1.8
95.04965	4.2
95.06081	1.7
95.08611	3.6
96.08123	1.4
97.02874	2.2
97.07663	7.9
98.03677	2.1
98.07170	4.9
99.05579	2.1
99.06688	1.8
99.09188	1.2
100.05069	1.3
105.07017	1.3
107.04941	4.2
107.08591	3.6
108.02147	1.2
109.02881	31.0
109.06502	2.9
109.07645	8.3
109.10128	2.7
110.03702	6.7
110.06013	2.3
110.07166	21.7
110.36096	1.0
111.00809	13.5
111.04457	6.3
111.05567	2.8
111.08029	1.9
111.09203	38.7
111.09978	2.0
112.05092	2.2
112.08732	6.5
113.06039	1.6
113.10744	2.0
114.10276	3.7
123.04463	2.6
123.08026	3.3
123.11723	3.0
124.07603	1.4
124.08701	2.8
125.05983	2.2
125.08241	6.3
125.10745	4.7
126.02278	1.8
126.03146	29.0
126.04080	1.6
126.06628	2.0
126.07834	1.3
126.10247	6.0
127.03934	1.9
127.06107	2.7
127.06946	1.3
127.08717	4.4
127.09792	7.9
127.11113	1.5
127.95402	1.8
128.08191	4.1
128.11868	7.0
128.95111	1.8
133.10081	1.5
137.02341	5.2
138.06633	1.6
140.08202	1.5
141.05469	100.0
142.05804	2.4
142.13359	2.0
145.96359	1.3
146.96109	1.3
151.03922	3.1
151.07552	1.2
151.09831	4.0
151.11124	1.5
152.07065	1.8
152.08182	4.1
152.11856	7.5
154.02547	2.2
155.03265	1.3
166.92686	1.1
169.03516	2.5
169.04962	51.5
169.07425	3.5
169.08714	1.3
169.10881	18.6
169.12213	1.9
169.13297	1.8
169.14523	13.4
169.16971	1.7
170.05251	1.8
170.09448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52836	1.9
51.51564	1.9
53.03940	6.4
55.01875	100.0
55.05512	15.9
56.02211	2.8
56.96567	58.8
57.07071	4.0
65.03938	4.9
67.05500	16.4
67.93560	2.7
68.99786	3.8
69.03432	4.3
69.07065	16.6
70.06597	3.6
71.05009	3.7
71.58994	3.6
71.95274	6.8
73.02920	4.1
76.59446	2.3
79.05061	3.8
79.05494	10.0
80.05049	2.5
80.95013	2.0
80.99844	2.1
81.03423	17.4
81.07050	15.1
83.04967	5.3
83.08635	3.7
84.04517	3.6
85.02941	3.4
85.06554	3.4
85.89384	1.9
85.94610	2.7
91.02351	4.3
91.05475	4.5
93.07033	8.1
94.06560	6.1
95.04970	8.4
95.08601	5.8
97.06516	3.0
97.99171	2.7
98.03693	3.8
98.06062	4.5
99.04407	2.8
105.07047	4.3
107.04976	4.6
107.08592	4.1
108.04480	3.4
109.02236	1.8
109.02889	41.7
109.06503	6.8
109.10175	12.9
110.03681	10.0
110.06016	2.4
111.00808	15.7
111.03784	2.9
111.04463	8.1
112.04005	2.2
112.07614	5.2
114.47563	2.0
115.04101	3.0
116.00220	4.3
118.94267	3.2
119.03636	9.7
122.06042	7.8
122.09653	4.0
123.04436	7.6
123.08105	5.5
123.11718	3.5
124.04742	8.1
125.05987	4.2
126.03149	20.6
126.04435	4.3
126.05507	10.3
127.03973	11.8
128.04153	2.8
133.05167	2.9
133.10124	4.5
136.04674	21.8
136.54736	2.7
137.02403	8.4
140.00410	2.5
140.03433	5.6
140.07050	9.0
140.95105	5.2
141.04375	4.4
141.05470	76.0
145.05170	73.0
145.55379	10.8
147.55457	5.6
150.05493	10.7
151.03947	5.5
151.11226	4.7
154.05711	33.0
154.55801	2.6
155.03638	4.9
156.55975	23.6
161.01328	2.8
163.01964	3.3
165.02145	2.3
165.56529	2.5
166.06610	3.1
168.02872	3.8
168.06458	10.2
168.07657	30.6
168.10217	6.5
168.13788	5.4
169.04976	35.8
169.10220	3.9
175.02768	6.5
181.05386	5.2
187.02795	4.6
189.04356	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	168.0658
Annotation	Orthoform
Peak:m/z	Relative Intensity
53.03929	1.7
53.12536	0.7
55.01851	1.5
55.05488	2.4
56.05012	3.0
56.96568	6.5
57.03407	1.3
58.02966	6.9
58.06589	1.7
59.06100	2.6
60.04502	1.7
65.03915	2.4
67.05506	3.5
67.92494	1.3
67.93539	0.8
68.05032	5.4
68.99782	1.9
69.03432	4.6
69.04530	1.3
69.07069	5.8
70.06597	5.7
70.96497	1.6
71.01316	0.9
71.04984	1.2
72.04501	1.8
72.08145	2.4
72.93762	1.2
74.06052	1.3
79.05487	6.6
80.05019	5.5
80.05794	1.3
81.03422	13.5
81.04506	1.7
81.07036	3.0
82.02911	0.7
82.05305	0.7
82.06593	3.6
82.94842	3.7
83.04998	3.6
83.06103	4.2
84.04507	5.8
84.08141	4.1
85.02874	2.8
85.03999	0.8
85.07644	2.1
86.06072	4.1
86.08436	0.8
88.64397	0.7
91.05461	1.6
92.05013	5.4
93.07022	1.7
94.02866	1.1
94.06580	6.4
95.01323	1.4
95.04978	6.6
95.06081	4.7
95.08563	2.4
96.04507	4.8
96.06377	0.8
96.08101	2.5
97.02912	3.5
97.06488	1.8
97.07661	5.7
98.03674	1.1
98.06057	4.6
98.07159	1.1
98.97591	1.1
99.04445	1.7
99.09171	0.9
102.94828	1.0
103.95636	1.1
105.07037	0.9
106.06532	1.8
107.04957	6.5
107.08583	1.3
108.04501	8.1
108.05202	1.3
108.08123	1.4
108.08928	0.9
109.02885	26.8
109.06458	1.9
109.07653	14.2
109.10119	1.2
110.03635	1.1
110.06010	3.1
110.07111	2.5
110.08487	1.4
111.00819	5.9
111.04448	10.3
111.05540	2.5
111.09222	5.3
112.03963	1.4
112.07576	3.2
114.05519	1.1
116.98641	0.9
119.01799	1.4
121.01605	1.0
121.06509	1.1
121.07574	1.3
122.05986	6.2
122.06895	2.1
123.04393	7.1
123.05523	3.0
123.08042	2.2
123.09148	4.7
123.11645	1.6
123.97393	3.1
124.03970	7.5
124.04757	1.8
124.07563	3.9
124.08559	1.0
125.02316	1.4
125.06107	3.5
125.07103	4.2
126.03144	11.0
126.05526	11.1
126.06488	1.6
126.10210	2.7
126.12740	0.8
126.93722	1.4
126.97211	0.8
127.03934	5.2
127.04749	1.1
127.08640	2.5
128.07004	1.0
128.09442	1.3
132.04419	1.7
133.02867	1.4
133.07629	1.9
135.03099	1.3
136.03940	52.0
137.02342	6.8
137.04239	1.3
138.10193	2.0
139.03865	0.9
140.03398	3.7
140.07103	5.8
140.10654	0.8
141.05478	31.2
141.10170	1.0
142.08672	4.9
144.94818	1.0
144.95825	2.2
144.98222	0.8
150.01840	2.7
150.05482	8.6
150.06525	1.7
150.10233	3.5
151.03940	4.2
151.04924	1.3
151.07515	1.8
151.08664	11.3
151.10661	1.3
152.08167	0.9
153.04173	1.6
154.02602	1.8
154.04997	67.4
155.05305	2.3
156.03372	3.6
162.95822	3.2
162.96976	1.5
162.99130	1.7
163.97670	0.9
165.03954	1.4
167.96262	0.8
168.02814	2.4
168.06514	100.0
168.10112	2.4
168.11345	10.2
168.13661	1.8
168.14978	1.2
169.03529	1.0
169.04980	16.0
169.06435	0.7
169.07156	1.1
169.09709	3.7
174.03284	0.8
174.04388	8.2
181.98877	0.8
185.97415	1.8
186.04375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03935	3.7
55.01860	2.7
55.05513	100.0
56.05031	1.6
56.05830	1.8
57.03420	3.7
57.07065	4.2
59.05000	13.0
59.06112	3.2
64.92839	1.1
65.11910	0.8
67.05507	18.0
67.96463	0.9
68.05013	2.1
69.03078	1.9
69.03430	21.2
69.04527	1.5
69.07066	13.1
70.06599	1.8
71.04984	4.0
71.14330	1.8
72.08140	1.5
78.04698	4.3
79.05495	9.3
81.04533	1.6
81.06595	1.0
81.07057	16.4
82.06567	2.9
83.04984	87.0
83.08619	49.1
84.08123	2.2
85.06551	12.1
85.07649	2.0
91.05461	3.9
93.03397	1.5
93.07055	11.2
94.06562	2.1
95.04961	2.7
95.06091	1.5
95.08619	11.6
97.06532	5.4
97.07639	1.6
97.09610	1.6
97.10171	15.5
99.08074	3.6
103.00618	0.9
105.07000	3.5
106.04133	2.1
107.04945	3.8
107.08598	23.5
107.65541	1.0
109.02861	1.9
109.06490	4.3
109.07631	8.6
109.10155	26.7
110.08417	3.0
110.10501	2.0
111.04449	1.8
111.08083	34.4
111.09180	5.2
112.08861	8.8
113.09634	5.1
121.01664	4.6
121.06515	2.7
121.10142	18.9
122.07144	4.2
123.04448	10.9
123.08097	1.6
123.09158	2.0
123.11709	10.9
124.05140	3.0
124.08698	3.1
125.06010	1.7
125.07027	0.9
125.08234	1.2
125.09634	16.1
126.05550	1.1
135.04414	1.9
139.02679	2.8
139.03841	1.7
139.07538	2.3
139.11136	2.1
140.07132	1.2
144.03239	3.4
149.02333	3.0
149.08131	1.4
149.09628	2.4
149.13231	11.3
150.05542	1.3
150.06641	1.3
150.09198	1.3
150.10274	11.4
151.03885	2.8
152.04674	2.6
162.04326	1.7
167.03365	3.0
167.07045	46.2
167.09329	3.0
167.10657	3.6
167.13019	3.9
167.14308	59.5
168.06479	1.6
168.11421	1.5
168.14679	1.7
169.28432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	1.2
53.40524	0.3
55.01865	1.3
55.02124	0.3
55.05512	2.0
57.03434	1.3
57.07080	1.3
59.04993	1.8
60.24683	0.4
60.37199	0.3
65.03936	0.9
65.56582	0.3
67.05509	5.8
69.03430	1.5
69.07069	2.3
70.06584	0.4
70.49648	0.4
71.05008	0.8
71.60133	0.7
73.02911	1.8
74.37531	0.3
74.61494	0.4
78.04720	1.6
79.05498	18.4
79.13115	0.4
81.03423	0.7
81.07063	29.3
82.06580	0.6
82.07379	0.4
83.04985	1.6
83.06127	0.4
83.08586	0.6
84.96022	0.5
85.06583	0.5
87.04471	0.8
91.05482	6.2
93.03410	0.5
93.07050	46.2
94.07367	0.8
95.04964	2.5
95.08615	12.4
97.06543	4.7
103.05482	1.0
103.71542	0.4
103.82392	0.4
105.06376	0.7
105.07035	8.6
106.04173	1.0
107.04961	2.6
107.08601	9.2
109.02854	0.7
109.06517	5.5
109.07651	1.4
111.04433	3.1
111.08109	2.3
111.09203	0.8
119.08582	1.8
120.58664	0.4
121.01659	2.8
121.06549	2.8
121.10149	100.0
122.06030	0.4
122.07130	1.0
122.10478	1.9
123.04462	3.3
123.08096	2.7
123.11713	11.4
124.05198	1.3
125.06007	8.6
125.08181	0.6
125.09656	1.2
126.05512	0.6
131.08580	3.3
133.07594	1.4
135.04424	0.6
139.02686	0.6
139.03873	0.5
139.07561	3.3
139.11195	10.7
140.10706	0.5
144.03230	2.1
149.02353	0.8
149.09630	13.0
150.10239	1.5
151.03899	0.8
152.04697	0.7
167.03391	1.7
167.07050	19.3
167.10670	15.5
167.11844	1.3
167.14316	0.8
176.14384	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03946	0.7
55.01879	0.6
55.05513	2.0
56.96560	0.2
57.03425	0.3
59.06129	0.2
65.03941	0.6
66.04729	0.2
67.05502	2.2
68.06287	0.3
68.99797	0.2
69.03432	1.2
69.04546	0.2
69.07062	0.9
69.86668	1.1
70.06599	0.4
71.05005	0.3
73.06558	0.2
78.04716	1.7
79.05490	6.1
81.03424	0.6
81.07053	3.0
82.06594	0.4
83.01340	1.5
83.04984	1.5
83.06090	0.3
83.08611	0.7
84.96049	0.3
85.02912	0.4
85.06545	0.4
91.05483	2.2
93.03394	0.2
93.07047	3.2
94.04205	0.3
95.04973	4.1
95.08584	1.0
96.05748	5.7
97.06540	0.9
97.07602	0.3
97.10156	0.2
98.06016	0.2
99.32124	0.2
102.97149	0.2
105.03357	0.3
105.07027	0.4
106.04169	0.7
107.04957	4.7
107.08587	2.2
108.05776	0.4
109.02876	0.9
109.06530	2.9
109.07635	0.8
109.10119	1.0
111.04449	0.7
111.08076	6.0
111.09222	0.4
119.04947	0.2
121.01655	1.2
121.02885	0.3
121.05695	0.2
121.06509	1.3
121.10146	2.0
122.03649	0.3
122.07175	0.4
123.04428	3.9
123.08076	0.4
123.11711	0.9
124.05206	17.2
125.06004	0.3
125.08250	0.3
125.09604	0.5
126.05503	0.4
126.06571	0.2
135.04431	0.2
137.05954	1.0
139.02798	0.8
139.07536	100.0
140.07048	0.2
140.07899	2.7
144.03194	0.8
149.02353	0.7
149.05974	0.2
149.09598	0.8
149.13245	0.5
150.10213	0.4
151.03889	0.6
152.04698	0.9
162.04300	0.5
167.03441	1.3
167.07034	53.1
167.10672	1.3
167.14212	1.1
168.07457	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.33057	0.5
53.03952	1.5
55.05511	2.2
56.96582	0.5
57.03448	0.7
65.03934	1.1
67.05507	2.7
68.05025	0.5
68.06298	0.6
69.03429	1.4
69.07066	1.5
69.53406	3.7
70.06593	0.7
78.04716	1.9
79.05489	6.9
81.03407	1.2
81.07062	3.2
83.01335	0.9
83.04977	2.0
83.06126	0.6
83.08605	0.8
84.96046	0.9
85.02917	0.5
85.06553	0.5
91.05473	2.9
93.07064	4.0
93.38455	0.4
94.04217	0.7
95.04971	5.1
95.08612	1.7
96.05752	7.1
97.06538	1.3
102.94946	0.5
105.04555	0.5
106.04166	1.3
107.04956	5.2
107.08578	3.2
108.05740	0.7
109.02877	1.6
109.06528	3.5
109.07643	1.0
109.10128	0.7
110.08439	0.5
111.04472	0.8
111.08082	6.0
111.09187	1.0
121.01647	2.2
121.02908	0.8
121.06515	1.3
121.10156	2.6
122.07182	0.9
123.04435	6.0
123.11697	1.1
123.91920	0.4
124.05213	18.5
124.08753	0.4
125.06029	0.5
125.08212	0.7
137.05974	1.8
138.03178	0.4
139.02724	1.7
139.07542	100.0
140.07907	2.8
144.03242	1.8
149.02376	1.1
149.09612	1.2
149.13240	1.2
150.05542	0.5
150.10315	1.2
151.03870	0.8
152.04706	1.6
162.04372	0.9
167.03429	2.4
167.07045	56.3
167.10713	1.8
167.14282	0.9
168.07358	1.9
176.14346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.03943	1.4
55.01865	0.9
55.05518	2.8
56.05031	1.7
56.96574	0.6
57.03426	0.8
58.06588	0.3
59.06129	2.1
60.04537	0.4
65.03925	1.0
66.04699	0.8
67.05511	2.1
67.93590	0.4
68.05043	1.9
69.03423	1.1
69.04543	0.5
69.07081	1.7
70.06574	1.6
70.06847	0.8
71.04996	1.0
71.07367	0.7
72.08149	1.4
78.04718	9.4
79.05063	0.6
79.05497	8.4
80.05022	0.7
81.03424	0.9
81.04533	1.0
81.07060	3.0
82.06584	1.7
83.04999	1.8
83.06114	2.1
83.08622	0.6
84.08127	1.8
84.96006	0.4
85.02918	0.8
85.06556	0.5
85.07662	1.5
91.05470	2.4
93.03413	0.6
93.07043	4.8
94.04163	0.7
94.06571	1.3
95.04985	3.5
95.06074	1.1
95.08616	1.7
96.05734	1.0
96.06861	0.5
96.08147	0.6
97.02879	0.7
97.06544	2.0
97.07655	1.4
98.07171	0.6
98.09688	0.5
98.21446	0.7
99.09215	0.6
102.97083	0.4
103.05537	0.4
105.03380	0.9
105.04523	0.5
105.07040	1.6
106.04182	3.7
107.04970	4.5
107.06081	0.5
107.08597	7.1
109.02888	2.3
109.06537	2.0
109.07645	5.7
109.10143	0.7
109.75201	0.3
110.07159	1.0
110.08457	2.0
111.04441	1.2
111.08056	1.2
111.09212	4.2
113.06002	0.5
119.08570	0.4
120.01985	0.4
121.01672	3.4
121.02876	1.5
121.06533	2.3
121.07619	0.5
121.10146	6.6
122.03640	1.2
122.07155	2.1
123.04441	18.8
123.08053	1.3
123.09179	1.5
123.10002	0.4
123.11707	1.0
124.05231	6.5
124.08730	2.0
125.05968	1.3
125.07063	0.5
125.08224	1.1
125.09675	0.7
126.10316	0.7
131.08588	1.0
133.07629	0.5
134.03662	0.9
135.03218	0.5
135.04417	0.9
137.02298	0.5
137.05986	1.8
139.02713	1.8
139.03845	0.7
139.07535	1.5
139.11163	1.1
144.03236	3.4
149.02325	1.2
149.05998	1.6
149.07103	0.7
149.08336	0.7
149.09595	2.6
149.95113	0.4
150.06627	0.8
150.10257	6.3
151.03905	2.7
152.04691	4.2
162.04292	0.8
165.05531	0.3
167.03528	1.7
167.07051	100.0
167.10634	3.4
167.12885	3.3
167.14240	0.6
168.04172	0.7
168.06364	0.7
168.07394	1.9
168.11394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
53.00313	0.3
53.03939	0.8
55.01862	0.9
55.05309	0.3
55.05514	3.4
56.05029	0.8
56.96557	0.5
57.03421	0.5
57.07060	0.3
59.05000	0.3
59.06122	1.4
65.03931	0.8
66.04714	0.7
67.05496	1.8
68.05019	1.1
69.03430	1.0
69.04536	0.4
69.07065	1.6
70.06584	0.8
70.84545	0.8
71.04985	0.6
72.08142	0.7
73.02921	2.1
77.03931	0.3
78.04717	9.8
79.05055	0.5
79.05492	5.5
80.05062	0.3
81.03411	1.0
81.04534	0.6
81.07060	1.5
82.06586	1.5
83.04992	3.2
83.06100	1.4
83.08633	1.6
84.08130	1.2
84.42519	0.3
84.96033	0.7
85.02900	0.7
85.06528	0.6
85.07662	0.8
91.05484	2.0
93.03402	0.8
93.07040	3.1
94.04186	0.9
94.06571	0.8
95.04982	3.5
95.06090	0.6
95.08600	1.1
96.05764	0.6
96.06847	0.4
97.02906	0.4
97.06498	1.0
97.07061	0.3
97.07642	0.8
97.10148	0.5
99.05555	0.3
99.09216	0.3
103.98447	0.3
105.03382	0.8
105.04533	0.3
105.07023	1.2
106.04178	3.8
107.04972	3.2
107.06051	0.3
107.08611	3.9
108.04488	0.3
109.02887	1.2
109.06514	1.3
109.07647	3.7
109.10151	1.2
110.03643	0.5
110.07169	0.7
110.08447	1.8
111.04422	1.1
111.08103	1.3
111.09202	2.9
112.08817	0.5
119.04921	0.7
120.02085	0.4
121.01679	2.1
121.02879	19.0
121.06509	2.7
121.07316	0.4
121.10149	3.3
122.03620	1.1
122.07185	1.3
123.04433	20.7
123.08117	0.7
123.09184	1.0
123.11742	0.4
124.05231	6.2
124.08721	1.1
125.05990	0.8
125.07024	0.2
125.08261	0.5
125.09618	0.8
126.10289	0.3
131.08627	0.3
134.03627	1.1
135.04424	1.2
135.89465	0.3
137.05960	1.9
137.08199	0.3
138.03142	0.3
138.10255	0.3
139.02715	1.1
139.03871	0.6
139.07535	0.9
139.11148	0.5
140.07050	0.3
143.96841	0.3
144.03214	2.4
149.02339	1.2
149.05995	5.9
149.07065	0.3
149.09627	1.3
150.06631	0.5
150.10269	4.6
151.03899	4.5
152.04697	4.6
155.40747	0.3
157.23874	0.3
162.04280	0.8
167.03426	1.7
167.07043	100.0
167.10597	2.2
167.12918	1.5
167.14339	1.8
168.04192	0.6
168.07486	2.2
168.11371	0.5
168.69566	0.3
176.81668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	L-beta-Phenylalanine
Peak:m/z	Relative Intensity
53.03944	0.7
55.01851	1.1
55.05506	1.0
56.05028	1.0
56.96556	1.6
59.06127	0.5
60.04520	0.5
62.99493	0.4
65.03916	0.8
67.05506	1.4
67.22784	0.4
68.05026	1.3
70.06567	1.2
70.76079	1.6
77.03920	0.6
78.04702	1.0
79.05490	1.8
80.05024	0.7
81.07057	1.0
82.06567	1.1
83.05002	1.0
83.06091	1.3
83.93045	0.7
91.05474	3.4
92.05827	0.8
93.07053	6.1
94.06571	0.9
95.04976	5.3
95.06082	1.2
95.08616	0.7
96.04514	0.6
96.08131	0.6
97.07666	1.0
98.06017	0.5
102.02253	0.7
103.05467	6.7
105.07024	1.2
107.04968	4.4
107.06081	0.8
107.08576	1.5
108.04514	1.0
109.02850	0.5
109.07629	1.5
110.06039	0.8
110.09661	0.9
111.04457	0.8
111.09213	1.4
119.01901	1.7
120.02011	3.2
120.03260	0.7
120.04496	0.7
120.05267	0.9
120.08115	11.3
120.08903	0.6
121.01685	1.8
121.02886	1.3
121.06512	24.7
121.10143	1.7
122.06035	7.3
122.07036	1.2
123.04454	3.4
123.09160	0.6
124.05177	0.8
124.07680	0.8
124.08713	3.4
125.05994	0.6
125.07099	1.1
128.97850	0.8
130.06517	1.3
131.04918	4.3
131.07419	0.5
133.05241	35.5
134.05597	0.9
134.38414	0.4
136.07573	0.8
137.03032	0.5
137.98369	0.9
138.03072	1.6
138.05495	1.6
138.06435	0.6
138.09175	0.7
138.10208	0.9
139.02672	0.7
139.03868	0.5
139.08669	0.5
142.96684	2.9
143.03630	3.7
144.03284	1.1
147.06761	0.7
148.04846	2.4
148.07579	100.0
149.02364	1.5
149.05997	27.5
149.07822	2.6
149.09012	0.7
150.06441	0.8
150.10246	1.4
152.04787	0.6
161.04710	1.7
166.04915	5.0
166.06262	1.1
166.08643	11.2
166.09804	3.6
166.11896	0.6
167.03375	1.8
167.05658	0.7
167.07053	11.7
167.10643	0.8
167.12912	0.5
167.14343	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
56.96566	0.2
67.05486	0.3
68.49693	0.2
71.10184	0.3
74.27017	0.2
77.03942	0.2
79.05504	0.8
91.05477	0.6
93.07049	1.6
95.04988	0.3
103.05473	7.4
107.04955	1.7
111.09173	0.2
120.02013	0.5
120.08108	100.0
121.01637	0.2
121.06503	0.2
121.07696	0.3
121.08468	2.5
123.04520	0.2
131.04930	2.4
137.74033	0.2
138.03049	0.2
138.05493	0.2
138.10240	0.2
143.03606	0.3
149.06000	1.2
155.04672	0.4
166.05017	0.7
166.08617	2.8
166.09721	0.2
167.03487	0.3
167.07053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03936	1.8
55.01879	2.9
55.05526	6.0
56.96568	3.6
57.03431	4.7
63.70670	1.2
65.03956	2.9
67.05169	2.1
67.05510	30.6
69.03428	3.8
69.07076	6.0
69.66081	2.0
69.66489	7.1
79.05498	18.7
81.03427	5.6
81.07066	49.6
82.07396	1.6
82.99825	1.6
83.04990	8.8
83.08601	1.3
85.02914	1.4
85.06543	3.5
91.05486	39.0
93.07054	23.0
94.07368	1.4
95.04983	14.0
95.08621	16.7
96.04533	1.1
96.25326	1.1
97.02893	1.5
97.06537	9.5
99.08105	1.6
100.02505	3.7
101.00873	8.4
101.02551	6.8
102.02251	4.4
102.50352	1.3
105.07040	38.7
106.07386	1.9
107.04937	1.4
107.08594	15.6
109.06535	12.8
109.10166	5.1
118.03522	3.4
119.01932	100.0
119.03691	6.5
119.04944	30.8
119.07790	2.6
119.08594	34.6
120.02000	6.5
120.03281	4.6
120.05255	1.9
120.08102	3.7
120.08979	1.4
121.10156	35.4
122.10448	1.5
123.04449	4.3
123.08083	10.1
123.11725	7.0
124.02486	3.2
124.04026	2.2
137.02980	54.3
137.05998	3.3
137.09634	4.5
137.13264	2.0
137.98357	1.6
138.03065	2.9
138.05531	1.5
138.10242	1.2
142.03511	89.5
142.96739	9.5
143.03633	5.5
147.04424	71.1
147.08057	2.7
147.11699	57.7
148.04778	3.8
148.12064	2.2
151.07587	1.4
160.04568	45.0
161.04755	2.9
165.01851	2.8
165.03117	1.2
165.05269	22.7
165.06747	2.5
165.09073	7.2
165.12778	86.5
165.98315	3.0
166.05006	9.8
166.08607	3.1
166.09798	6.3
166.13150	2.1
183.06175	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	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	86.8
57.04743	4.9
57.05112	3.6
57.05375	55.7
62.98249	7.4
71.34906	3.5
73.02010	2.1
74.02444	35.5
74.06083	29.2
75.02782	9.2
75.06420	21.3
82.71398	2.5
82.99868	2.1
84.04488	8.4
85.02921	2.3
85.04839	10.2
88.64407	2.1
101.00888	17.7
102.05545	96.1
103.05252	9.1
103.05877	96.3
103.76041	2.3
119.01923	100.0
120.02033	3.5
124.02459	3.3
137.02966	29.1
142.03503	68.2
143.03702	2.4
160.04558	26.1
164.93065	8.2
165.05121	3.5
183.06136	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	165.0549
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
53.03942	0.6
54.03476	0.7
55.01886	0.5
55.05513	0.5
56.05037	1.8
56.96556	0.8
57.03443	0.6
58.06609	1.0
59.06129	0.9
60.52927	0.3
65.03944	1.4
67.05510	2.6
68.05032	2.4
68.54881	0.3
69.03426	1.0
69.82201	1.4
69.82615	0.4
70.06590	1.8
71.06129	0.4
79.05505	1.6
80.05005	0.9
81.03417	1.1
81.04546	1.2
81.07055	2.6
82.06576	1.0
83.05000	0.5
83.06105	4.4
84.04464	0.3
85.02903	0.4
85.07666	1.6
91.05483	23.8
92.05827	0.7
93.07047	1.6
94.06586	0.6
95.04984	3.5
95.06087	1.5
95.08606	1.2
96.04492	0.5
97.07656	1.9
98.07183	1.3
98.21453	0.3
100.02503	0.4
101.00858	3.1
101.02605	0.4
103.05450	1.0
105.07034	2.1
107.04977	1.8
107.06078	2.2
107.08604	0.8
109.02882	0.4
109.06514	2.4
109.07642	2.2
109.10185	1.6
110.07188	0.6
111.04456	0.5
111.09212	1.2
115.14822	0.3
116.01283	0.4
117.07055	0.4
118.03513	0.4
119.01927	27.2
119.04946	44.1
119.08588	3.4
120.02008	0.6
120.05310	1.0
120.08120	0.8
120.61897	0.3
121.02869	1.1
121.06531	0.5
121.07631	1.8
121.10136	0.8
122.03664	1.2
122.07173	2.8
123.04451	3.3
123.08036	2.2
123.11656	0.4
124.02451	0.9
124.07849	0.5
124.08698	3.5
125.09504	1.8
130.01016	0.8
133.02800	1.8
133.06477	0.4
136.08644	0.4
137.01958	0.7
137.02975	14.5
137.05981	17.3
137.09604	2.3
137.98393	0.3
138.03139	0.3
138.05479	0.6
138.06468	0.6
138.10280	1.8
142.03503	22.8
142.96698	1.0
143.03653	0.9
144.29022	0.3
147.04414	100.0
147.08044	1.8
147.11684	0.5
148.04778	2.5
148.08653	3.1
149.06078	0.4
160.04570	10.8
165.01805	1.4
165.05475	9.0
165.07639	1.6
165.09100	5.0
165.11388	6.5
165.12769	1.3
166.05046	1.2
166.08656	0.8
166.09819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14628	0.3
56.05040	61.5
56.96561	1.0
57.03439	0.4
57.05368	0.6
63.02728	1.9
73.06440	0.8
74.02447	20.7
74.06085	24.8
75.02826	0.5
75.06425	0.4
82.01426	0.4
84.04514	8.4
85.02903	2.4
91.05492	0.8
95.04902	0.4
98.97536	0.3
100.02509	1.8
101.00890	1.3
102.05549	100.0
103.05247	0.4
103.05896	1.5
111.00262	0.4
118.03535	1.7
119.01938	8.0
119.04939	1.2
123.72791	0.4
131.40492	0.4
134.99631	0.4
136.04851	0.5
136.07639	0.4
137.02972	3.0
140.07808	0.4
142.03502	7.2
146.08133	0.5
147.04417	2.1
147.84123	0.3
151.65045	0.4
158.86078	0.4
160.04593	3.1
164.04405	0.8
164.07237	1.4
164.10529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	67.1
56.96567	1.3
57.05376	1.2
57.42542	0.4
58.64789	0.4
61.02938	0.5
63.02711	1.2
70.06591	0.8
70.29786	1.4
74.02443	21.4
74.06080	25.8
75.02739	0.4
75.06423	0.4
76.10162	0.4
82.01434	0.7
84.04505	9.1
84.53582	0.5
85.02908	2.9
86.06031	0.4
92.72430	0.4
98.97582	0.7
100.02496	3.4
101.00874	3.6
102.05541	100.0
103.05904	1.1
104.86797	0.4
109.77700	0.4
109.88758	0.4
115.78953	0.4
118.01050	0.5
118.03528	2.8
119.01921	15.5
127.36452	0.4
136.04709	0.6
137.02968	4.7
141.05080	0.5
142.03499	9.9
146.03224	0.5
147.04408	0.5
157.39088	0.5
160.04553	3.0
164.04265	0.6
164.07056	0.9
164.12845	0.7
165.05092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.067
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99872	0.3
60.00650	0.2
66.03086	0.1
70.08603	0.5
73.80490	0.1
77.00893	0.1
77.09602	0.1
77.39849	0.1
78.16742	0.1
78.60458	0.1
82.01442	2.3
82.99816	1.2
91.72569	0.1
100.02485	12.9
101.00877	18.5
101.02555	0.7
118.03527	8.5
118.66679	0.1
119.01920	100.0
120.02436	0.2
121.02325	0.4
123.04086	0.6
124.02438	4.6
136.04588	0.5
137.02956	36.7
139.03418	0.2
141.05084	1.0
142.03499	75.2
143.03845	0.2
144.03964	0.1
147.04366	0.1
156.05051	0.2
159.06149	0.3
160.04556	26.1
165.05101	3.3
174.06091	0.1
177.89824	0.1
183.06163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38854	0.3
54.84325	0.3
56.05039	67.4
57.03423	0.3
57.05377	0.6
58.01422	0.3
62.54110	0.3
63.02714	1.4
70.06610	1.8
70.46105	0.6
70.46468	0.6
73.73654	0.3
74.02448	21.9
74.06085	26.1
75.02746	0.5
77.15965	0.3
83.92325	0.3
84.04510	8.6
84.05015	0.5
84.50555	0.3
85.02913	2.5
95.04978	0.3
100.02477	2.0
101.00885	1.7
102.05548	100.0
103.05876	1.2
118.03511	0.4
119.01932	8.9
123.04487	0.3
133.03188	0.4
137.02946	2.9
140.54726	0.4
142.03508	7.3
146.08040	0.4
148.14679	0.3
160.04549	2.7
164.07349	1.2
171.72354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.71173	0.8
53.03953	4.5
54.03467	1.0
55.01868	1.3
55.05513	8.9
56.05027	3.1
56.96553	4.0
57.03421	1.3
57.07068	6.1
58.99581	2.0
61.84629	0.9
65.03916	1.2
67.05493	3.3
69.03418	3.7
69.06721	1.2
69.07068	18.6
71.05014	1.0
71.57479	1.3
74.02448	1.3
74.06067	1.1
77.03920	1.0
79.05063	1.2
79.05495	18.6
80.05020	1.1
81.03403	2.8
81.04539	1.0
81.07065	5.3
82.05331	0.8
83.08630	14.1
85.02895	2.7
86.99041	1.5
89.03918	16.7
89.06025	2.5
91.05477	13.6
92.02598	1.6
93.07044	22.4
95.04427	1.5
95.04972	13.5
95.06062	2.7
95.08620	6.7
98.97572	1.5
100.02473	14.2
102.05547	4.5
102.20113	0.9
103.05464	29.7
103.52081	1.6
104.05799	1.2
105.00056	1.0
105.03411	1.9
105.04512	1.5
105.07027	15.3
107.04963	12.4
107.08595	65.2
108.05588	1.3
108.09430	2.1
109.06496	2.3
109.10156	2.0
115.05448	1.4
116.98598	1.6
117.03374	12.9
117.06992	3.7
118.03539	14.4
118.06570	1.5
119.01790	2.0
119.04928	1.5
119.06028	0.8
119.08592	7.3
120.05667	1.6
121.02901	1.0
121.06506	6.0
121.10144	100.0
122.06042	1.7
122.07135	5.3
122.10508	1.2
123.04476	6.5
123.08011	4.4
128.02328	1.0
131.04930	39.0
132.05270	1.2
132.08124	1.3
133.02855	10.8
133.10147	1.5
135.04424	40.0
135.08072	4.1
135.11688	21.6
136.04768	1.4
136.07573	2.9
136.08693	2.8
141.05034	1.8
145.02855	12.7
145.03929	0.8
145.06488	3.1
145.10149	6.8
163.03902	94.8
163.07542	18.7
163.09779	5.8
163.11177	15.9
163.12279	1.3
163.14821	32.2
164.03156	1.6
164.04488	5.4
164.07005	6.9
164.08159	0.9
164.10669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	0.9
53.03940	3.8
54.03452	1.4
55.01868	1.0
55.05512	7.2
56.05034	3.0
56.96563	2.3
57.03437	2.2
57.07076	4.4
61.02919	1.3
63.02400	1.0
63.86147	0.8
65.03934	1.4
67.05490	2.9
68.05043	1.2
69.03417	3.0
69.07072	18.7
71.59499	1.2
74.06077	1.7
79.05496	19.7
81.04543	2.0
81.07064	7.9
82.01456	1.5
82.05341	0.9
83.06100	0.8
83.08627	9.7
84.08148	0.9
85.02910	1.4
89.03925	29.0
89.06026	1.9
90.04224	1.9
91.05488	11.5
92.01300	0.9
92.02617	0.9
93.07049	21.1
95.04974	12.2
95.06088	3.2
95.08622	6.6
96.06915	1.3
97.07646	1.5
98.97597	1.7
100.02479	10.2
102.05553	5.4
103.05470	31.8
104.05805	1.2
105.02108	1.2
105.03415	2.9
105.04518	2.5
105.07033	9.5
107.04964	13.0
107.06078	0.9
107.08601	57.3
108.05608	1.5
108.08832	1.4
109.06512	2.1
109.07688	1.2
109.10142	2.2
116.98647	1.4
117.03387	25.8
117.07017	3.2
118.03541	9.4
119.01786	1.6
119.04913	1.0
119.06060	1.8
119.08579	6.0
120.05628	1.1
121.06506	3.5
121.10150	59.9
122.06059	1.0
122.07148	5.0
122.10492	2.6
123.04412	3.5
123.08007	3.3
128.02287	1.0
130.07742	1.1
131.04933	38.2
132.05267	2.9
132.08125	1.3
133.02858	9.1
133.10112	1.0
135.04422	63.2
135.08060	3.2
135.11700	14.1
136.04773	3.0
136.07571	2.3
136.08691	2.7
145.02866	20.0
145.03969	1.3
145.06491	2.1
145.10127	4.6
146.03221	0.9
146.07112	0.8
163.03914	100.0
163.07539	14.2
163.09795	8.1
163.11191	13.2
163.12408	1.0
163.14832	28.3
164.04518	5.9
164.06998	4.0
164.08250	1.3
164.10628	1.6
164.15285	1.2
177.00786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03951	3.4
55.05511	8.1
55.63039	0.7
56.05033	1.4
56.96573	1.1
57.07067	1.4
57.25552	0.7
64.42266	0.8
65.03938	1.0
66.50507	0.7
67.05512	5.0
69.03426	1.5
69.07069	19.1
69.07452	0.9
69.35612	0.8
69.88625	3.8
77.03925	0.9
79.05493	23.8
81.04552	1.4
81.07058	38.9
82.05312	0.7
82.32249	0.7
83.04995	0.8
83.06134	0.8
83.08621	7.1
85.02910	1.7
88.11529	0.7
89.03917	21.3
89.06097	0.6
91.05482	10.2
93.07043	35.6
94.07379	0.9
95.04962	8.2
95.06064	1.8
95.08608	26.6
98.97594	1.0
100.02488	3.9
102.05550	2.2
102.96864	1.0
103.05472	32.9
104.05801	0.8
105.03380	1.0
105.04508	1.7
105.07018	8.3
107.04967	11.1
107.08596	100.0
108.08927	3.0
109.06511	1.8
109.10151	2.2
115.05499	1.0
117.02139	0.9
117.03385	17.8
117.07008	2.2
118.03543	4.0
119.08612	3.0
120.05686	1.0
120.97929	1.0
121.06506	2.0
121.10146	33.9
122.07164	1.8
122.10463	1.0
123.04410	1.7
123.08019	1.8
130.06573	1.2
131.04932	43.0
132.05292	2.0
133.02843	4.1
133.10146	0.8
135.04417	41.5
135.08044	6.3
135.11700	15.9
136.04756	2.0
136.07588	1.2
136.08611	1.7
145.01039	0.8
145.02853	16.5
145.03990	1.4
145.06487	1.7
145.10124	3.1
146.03214	1.8
146.07166	1.1
152.05960	1.3
163.03911	63.5
163.07553	27.3
163.09804	4.1
163.11195	8.1
163.14818	77.4
164.04257	3.4
164.06903	1.2
164.08177	1.4
164.15233	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	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02388	1.4
53.03957	5.3
54.03460	1.0
55.01875	2.7
55.05510	9.8
56.05021	4.4
56.96569	1.6
57.03419	2.1
57.07076	7.8
61.02929	1.6
65.03944	6.3
66.54736	0.9
67.05502	4.8
68.05006	2.1
69.03431	4.4
69.07072	57.6
69.94619	7.3
70.06601	1.4
70.07413	1.1
71.04970	1.4
72.75769	1.2
73.02912	2.0
74.06078	1.6
79.05496	23.5
80.05019	1.7
81.03416	3.6
81.04541	6.3
81.07054	8.0
82.05310	2.9
83.04978	1.3
83.06108	2.7
83.08615	7.6
84.08115	2.7
85.02902	5.1
86.09634	1.4
89.03920	20.6
89.06020	2.0
91.05480	17.4
92.02624	1.6
93.03404	4.5
93.04546	1.8
93.07050	32.4
93.38792	1.2
95.04966	16.1
95.06088	6.6
95.08604	10.4
96.06882	2.0
97.02901	1.1
97.07647	4.5
99.01920	1.2
99.04471	1.2
100.02480	7.4
102.05531	4.8
103.05473	34.0
104.05810	1.4
105.03413	2.3
105.04492	4.1
105.07039	14.5
107.04965	15.9
107.06093	3.6
107.08598	100.0
108.05595	3.8
108.08117	2.0
108.08844	2.8
109.02888	1.2
109.06508	4.6
109.07635	2.2
109.10183	2.1
110.06047	1.3
111.04440	16.7
115.05417	1.3
116.98624	1.8
117.03391	15.8
117.05572	1.1
117.07014	4.8
118.03551	5.4
118.06526	2.2
119.04925	1.2
119.06079	4.1
119.08588	8.0
120.05603	3.4
121.06479	3.1
121.10147	53.8
122.06350	1.1
122.07188	10.0
122.09679	1.3
122.10503	2.7
123.04343	1.4
123.08003	5.6
128.02298	2.3
130.06511	1.1
131.04936	36.1
132.05264	1.4
132.08060	1.9
133.02850	11.0
133.10165	2.6
134.99644	1.1
135.04425	49.1
135.08054	4.1
135.11705	23.2
136.04750	2.2
136.07693	1.8
136.08688	10.4
136.12010	1.7
137.02335	3.4
137.07132	1.8
139.14120	1.0
139.53084	1.8
141.05081	1.3
141.11484	5.5
145.02831	17.7
145.03905	1.4
145.06500	4.4
145.10094	3.9
146.05995	4.3
146.07126	3.6
146.08125	1.2
148.07388	1.1
163.03900	93.9
163.05084	22.1
163.07552	20.4
163.09787	21.9
163.11163	11.5
163.12430	2.9
163.14822	48.7
164.03185	1.9
164.04306	4.6
164.05569	1.8
164.07066	3.9
164.08174	2.9
164.15228	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	163.1118
Annotation	Valerophenone
Peak:m/z	Relative Intensity
50.48954	0.4
51.02371	0.7
53.03957	5.0
55.01851	1.6
55.05488	1.1
57.07067	1.1
67.05509	2.5
69.03409	1.0
69.07081	1.1
69.33981	4.7
71.75852	0.5
72.93785	1.1
77.03912	0.8
79.05494	11.7
79.44051	0.4
80.41504	0.5
81.03428	3.4
81.07068	2.5
89.03921	0.7
89.06049	0.7
91.05490	5.7
92.02642	2.7
93.07047	9.1
95.04972	15.4
95.08616	1.3
100.02477	1.3
103.05455	3.4
105.03402	3.8
105.04509	1.8
105.07026	2.7
107.04955	5.0
107.08609	4.7
109.06525	0.6
113.96439	0.6
115.05458	0.9
117.03397	0.6
117.07000	3.8
118.03520	1.8
119.04925	1.5
119.08591	3.9
120.05708	1.6
121.06513	13.5
121.10159	3.5
123.04428	1.2
127.68889	0.4
130.07735	1.0
131.04955	3.4
131.97453	1.0
133.02858	20.3
134.03210	1.5
134.07291	0.9
135.04424	19.9
135.08041	1.4
135.11700	2.5
136.04793	0.6
138.03143	0.9
143.08481	0.6
145.06554	0.7
145.10117	4.0
154.99034	1.2
163.03911	100.0
163.07530	3.2
163.11182	96.0
163.14851	1.9
164.04326	4.2
164.07011	0.8
164.11612	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	163.0867
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
51.02371	0.2
53.03940	1.2
54.03468	0.4
54.15009	0.2
55.01864	0.8
55.05501	0.7
56.04784	0.3
56.05037	4.3
56.96562	2.4
57.03435	1.8
57.07069	0.8
58.06588	0.3
60.95844	0.6
61.01158	0.4
61.02935	1.7
63.02372	0.4
63.92946	0.4
65.03938	0.6
67.05501	0.8
68.05009	0.2
69.03429	5.6
69.07067	0.3
70.06579	0.6
70.94165	0.3
70.94502	0.4
71.01356	0.4
71.04979	0.6
72.04500	0.3
72.08130	0.3
73.02908	1.9
74.02438	1.4
74.06080	2.0
75.02685	0.2
77.03918	0.3
78.95292	1.3
79.05494	2.7
80.05006	0.8
81.03418	2.8
81.04529	1.1
81.07055	0.5
81.75378	0.2
82.05293	0.3
82.06550	0.3
83.01335	0.4
83.04984	0.4
83.06097	0.5
83.08633	0.3
84.04499	0.7
84.08147	0.3
85.02905	10.6
85.03424	0.5
85.06511	0.2
85.94647	0.2
86.06056	0.6
87.04448	0.4
87.05588	0.2
88.07620	0.4
89.03919	6.9
89.06027	0.7
91.03931	0.4
91.05473	1.8
92.02632	0.4
92.05012	0.7
93.07052	1.0
94.06557	0.3
95.04975	2.3
95.06081	1.3
95.08574	0.3
97.02900	2.4
97.07648	0.5
98.06068	0.3
98.97614	1.0
99.04459	1.5
99.05583	0.2
100.02477	0.7
101.02364	0.5
102.05540	6.9
102.96882	1.4
103.05461	6.4
103.52078	0.2
105.02066	0.3
105.03376	0.6
105.04503	0.7
105.07025	0.9
106.06555	0.7
107.04958	4.2
107.06082	0.8
107.08585	1.2
108.04517	0.5
108.05585	0.3
109.02875	1.7
109.06499	0.3
109.07639	0.5
110.01241	0.3
110.06048	0.3
110.89840	0.2
111.04449	0.6
115.03914	0.2
115.05425	0.2
116.07063	0.2
116.52901	0.2
116.98620	0.9
117.02094	0.2
117.03383	6.1
117.05686	0.8
117.07004	0.9
118.03546	0.4
118.06536	1.6
119.01797	0.5
119.04977	0.5
119.06054	0.7
119.08564	0.3
119.97897	1.3
120.00742	0.2
120.05584	0.2
120.08094	0.2
120.97890	1.6
121.01666	0.6
121.06496	0.7
121.10140	0.8
121.96642	0.6
122.06056	0.4
122.07144	1.3
122.94205	0.6
123.04429	0.2
123.07983	0.9
127.03918	1.2
128.02281	0.5
128.98683	0.2
130.06508	1.0
130.52602	0.3
131.04927	8.5
132.06906	0.2
132.08101	1.6
133.02866	2.6
133.07611	12.1
134.99667	0.7
135.04424	16.2
135.05447	0.5
135.08044	1.1
135.11696	0.4
136.03897	0.5
136.04816	0.4
136.07594	0.6
136.08704	1.1
138.98917	1.2
139.02742	0.4
139.53101	0.3
140.95232	0.3
145.02852	5.6
145.03908	0.5
145.06586	0.8
145.07605	14.4
145.10001	0.7
146.05997	0.6
146.07124	0.6
146.08369	1.4
146.99643	0.5
149.01125	0.2
157.00006	0.4
158.96326	1.1
159.03256	0.3
163.03917	26.1
163.04982	1.6
163.07654	4.9
163.08667	100.0
163.96817	0.3
164.03206	1.9
164.04480	0.8
164.07071	1.4
164.09079	3.0
177.00662	0.4
181.02908	0.7
181.97839	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	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01585	0.7
53.00289	0.6
53.03941	4.2
55.01861	1.1
55.05516	9.8
56.05031	2.3
56.96578	3.0
57.03442	2.1
57.07077	4.7
58.99565	0.8
61.02951	0.9
65.03936	1.1
67.05503	3.6
68.05022	1.0
69.03423	2.2
69.07073	23.5
70.99848	1.8
71.04987	0.7
72.05907	0.7
72.08158	0.7
74.02478	1.2
77.03924	0.7
79.05052	1.3
79.05499	18.2
79.05959	1.0
80.05032	1.2
80.05860	0.8
81.03421	1.9
81.04552	2.4
81.07063	4.7
82.05325	1.4
83.08622	14.9
85.02911	1.8
86.32008	0.8
89.03918	16.6
89.06047	2.8
91.05481	12.0
92.02609	1.5
93.07047	22.1
95.04972	11.6
95.06084	2.4
95.08604	5.7
97.07665	1.6
98.97577	1.4
99.04435	0.8
100.02486	8.3
100.09433	1.2
100.11230	1.7
102.05564	3.8
103.05472	48.4
103.52067	0.7
104.05802	0.9
105.03416	3.1
105.04542	3.5
105.07033	14.7
106.06490	0.8
107.04961	13.5
107.06097	1.1
107.08598	69.3
108.05598	1.4
108.08804	0.8
108.09428	1.7
109.06499	2.0
109.07651	1.0
109.10138	2.2
110.01295	0.8
115.05453	1.2
116.98633	1.4
117.02094	1.5
117.03383	14.5
117.07032	4.0
118.03530	9.3
119.01807	2.3
119.04917	1.0
119.06086	1.7
119.08588	6.8
120.05602	1.5
120.08189	0.7
121.02864	1.2
121.06507	4.5
121.10146	93.2
122.07172	6.0
122.10493	1.5
123.04461	4.2
123.08023	5.0
128.02345	1.5
130.06590	1.8
130.07808	0.8
130.52632	1.0
131.04935	64.2
132.05254	2.6
132.08051	1.2
133.02878	11.5
133.07764	0.8
133.10141	1.0
134.99670	1.1
135.04420	41.9
135.08081	4.4
135.11707	18.2
136.04771	2.1
136.07712	1.1
136.08711	3.2
139.53056	0.6
141.05084	1.6
145.02870	13.6
145.03984	1.5
145.06514	3.5
145.10083	4.7
146.07130	1.4
147.09129	0.8
158.01343	0.7
163.03912	100.0
163.04968	3.7
163.07549	33.3
163.09789	9.3
163.11200	14.8
163.12337	1.3
163.14824	30.7
164.03214	1.2
164.04477	4.1
164.07074	2.0
164.08194	1.3
164.10707	0.8
164.15150	0.9
173.46898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02385	0.5
53.03949	2.0
54.04332	0.4
55.01889	0.4
55.05500	0.5
56.05040	0.5
56.96572	1.3
57.03445	0.9
57.07073	0.7
57.44370	0.4
61.02953	0.4
63.02391	1.1
65.03953	0.9
68.05042	0.5
68.99770	0.6
69.03448	1.1
69.07077	1.0
70.63919	0.9
70.64317	0.9
73.02934	0.6
74.06094	0.6
75.67587	0.4
77.03909	0.5
79.05493	8.7
81.03421	0.6
81.04546	0.6
83.06109	0.5
85.02910	1.4
89.03920	40.4
89.06044	0.6
90.04254	1.0
91.05479	2.9
93.07041	1.1
93.52754	0.4
95.04982	3.1
95.06092	1.4
95.08594	0.6
99.04463	0.6
100.02404	0.5
101.96321	0.4
102.05535	0.7
103.05470	9.9
105.04530	1.0
105.07049	1.1
107.04956	14.4
107.06068	1.0
107.08585	2.9
108.05643	0.8
109.07690	0.6
111.04433	1.2
115.05511	0.7
117.03382	34.8
117.07041	1.7
118.03600	0.8
119.04944	2.0
119.08605	0.7
121.06492	1.0
121.10168	1.6
122.07117	2.0
123.07955	1.1
131.04935	13.4
133.02895	2.6
135.04420	71.3
135.08064	1.7
136.04741	1.3
136.08699	1.4
139.14992	0.4
145.02847	34.9
145.03812	1.3
145.06392	0.8
145.10007	0.6
146.03178	1.3
147.08073	0.5
151.07545	0.8
160.08096	1.7
163.03906	100.0
163.07539	6.7
163.09773	3.2
163.11174	1.8
163.12387	0.5
163.14815	1.3
164.04221	1.9
181.02943	0.6
183.35342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
52.08133	0.4
52.12120	0.4
53.03932	0.8
56.05040	4.6
56.96554	0.8
57.03434	0.9
58.06593	0.5
59.06124	0.9
60.04518	0.8
60.95861	0.4
69.03414	1.1
69.70766	0.4
70.06581	0.5
70.18954	2.1
72.04507	1.5
73.02911	0.5
73.04038	0.4
74.06080	3.5
75.04472	0.9
79.05502	2.4
80.05012	0.5
81.03416	0.8
83.06126	0.5
84.04508	4.4
85.02901	1.7
86.06070	0.9
87.05602	0.9
88.03975	0.5
88.07620	0.4
89.03920	11.2
89.38548	0.4
91.05470	0.7
95.04969	1.4
97.02901	0.8
98.97581	0.6
99.04439	0.6
100.03993	1.1
101.07179	0.7
102.05547	100.0
102.96874	1.5
103.05920	0.7
105.03418	0.4
105.07018	0.6
106.06563	0.8
106.07346	0.8
107.04962	3.7
107.06109	0.6
107.08606	0.6
109.02968	0.5
112.03925	0.8
116.04989	0.7
116.07114	0.8
116.98620	0.5
117.03391	9.9
117.05484	0.4
119.08598	0.4
120.06631	0.8
120.97917	1.3
121.10171	0.5
121.96653	0.5
130.05011	6.1
131.04921	0.9
133.02916	1.3
134.05992	1.4
135.04428	19.8
138.98979	1.0
139.01819	0.5
144.06567	0.8
145.02869	8.7
145.04005	0.8
145.09750	0.7
146.07123	0.4
156.99976	0.5
162.03220	0.9
162.05493	4.2
162.07735	2.6
162.09189	1.3
163.03911	25.0
163.07491	0.8
163.08638	0.5
163.09836	0.7
163.11136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03956	1.4
55.05509	0.6
56.96574	2.9
58.89825	0.7
63.02372	1.2
69.03428	0.9
70.97682	1.7
77.03916	0.8
79.05499	9.4
81.03422	1.2
85.02926	0.7
85.68291	0.6
87.63259	0.5
89.03924	60.5
90.04264	1.5
91.05475	0.8
95.04977	4.5
103.05497	0.8
105.04506	0.7
107.04964	13.6
107.08585	0.9
109.02307	0.8
112.99083	0.7
117.03388	52.6
118.03719	1.4
131.04930	1.0
132.87494	0.6
133.02823	0.9
135.04425	100.0
136.04774	2.4
145.02859	44.0
145.03888	1.6
146.03160	0.8
163.03917	97.6
163.11171	0.8
164.04266	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	162.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
56.04783	0.4
56.05038	5.3
56.96568	0.6
57.03440	1.1
58.06589	0.6
59.06125	0.7
59.49421	0.3
60.04534	1.0
61.02923	0.7
65.32198	0.4
69.03422	1.1
69.82288	2.1
70.06596	0.7
71.04992	0.4
72.04520	1.0
73.02940	0.4
74.06084	3.4
75.04479	1.4
75.05612	0.4
79.05497	2.7
80.05038	0.5
81.03403	0.8
81.51734	0.3
81.72334	0.4
83.06090	0.6
84.04507	4.4
85.02894	1.7
85.07668	0.4
86.06084	0.7
87.05591	1.0
88.04006	0.8
88.07600	0.5
89.03404	0.6
89.03930	8.7
91.05470	0.5
95.04979	1.1
95.06093	0.6
97.02895	0.7
98.06045	0.7
98.97585	0.4
100.03973	1.2
101.07252	0.4
102.05548	100.0
102.96872	1.2
103.05431	0.5
105.04536	0.4
105.07001	0.6
106.06564	1.0
106.07339	0.7
107.04964	3.0
107.06073	0.7
109.02869	0.4
112.03967	0.6
116.07092	1.0
117.03384	7.6
119.04958	0.4
119.08608	0.4
120.02028	0.7
120.05711	0.3
120.06564	0.9
120.08152	0.4
120.97919	1.5
122.07256	0.5
126.05457	0.5
128.02303	0.5
130.05016	6.5
131.04927	0.7
132.06523	0.4
133.02837	0.8
134.03603	0.3
134.06004	0.9
135.04428	18.7
138.98979	1.3
139.01851	0.9
144.04465	0.4
144.06596	1.2
145.02863	7.4
145.03978	0.8
145.09784	0.6
162.05482	3.9
162.07637	2.7
162.09137	1.8
162.10333	0.4
162.12422	0.4
163.03908	20.0
163.04997	1.2
163.07565	0.7
163.09831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03942	0.6
55.01875	1.3
55.05510	5.7
56.96571	0.3
57.03439	0.4
58.06601	0.4
59.06123	1.0
60.04524	0.4
61.02932	0.3
65.03910	0.4
67.05508	0.5
69.03421	0.7
69.07068	1.8
69.63668	1.7
69.64091	0.7
71.04975	0.3
74.06083	1.1
78.27435	0.3
78.93133	0.5
79.02969	0.3
79.05496	3.6
81.07050	1.5
82.05311	0.5
83.04939	0.7
84.04504	0.4
84.08139	0.7
85.02907	0.8
86.06008	0.4
87.05598	1.0
90.00394	0.3
91.04904	0.4
91.05479	7.5
93.04538	0.8
93.07032	1.6
95.04970	1.4
95.06061	0.3
97.02872	1.0
101.07141	0.6
102.05537	0.4
103.05470	3.4
104.06271	0.5
105.03439	0.7
105.07033	30.0
106.06649	0.4
106.07360	1.2
107.04980	0.5
107.06078	0.8
107.08592	1.0
113.02351	0.8
115.05456	4.4
116.01723	0.4
116.05824	0.4
116.07094	0.7
117.07073	2.4
118.04165	2.3
118.06562	0.5
118.07789	0.4
119.01919	0.4
119.08582	100.0
119.95753	0.7
120.04469	0.3
120.05589	1.7
120.06496	0.5
120.08141	0.7
120.08910	3.1
121.06411	2.6
121.10165	2.7
128.06247	0.5
131.04942	1.1
131.08540	2.4
132.05745	0.3
132.09322	0.3
133.06499	10.9
133.07449	0.4
133.10135	21.0
134.06087	0.4
134.07094	1.9
134.10495	0.5
137.96751	0.9
138.06647	0.5
138.98952	0.4
143.03424	0.4
143.04924	0.6
143.06009	0.7
143.08583	1.1
144.06573	0.5
146.03650	1.5
146.07272	0.8
146.10919	0.9
147.04456	0.4
159.11719	0.7
161.04597	0.7
161.05989	12.2
161.07034	0.5
161.08206	2.6
161.09607	10.0
161.10835	0.4
161.13257	19.6
162.05408	1.7
162.06638	0.5
162.09108	1.3
162.10287	0.5
162.13670	0.6
177.60197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	0.7
59.06128	0.9
60.04520	0.5
60.70717	0.4
69.57375	0.4
70.15249	1.6
75.05616	0.4
78.67867	0.4
81.41560	0.3
82.01466	0.4
82.99861	1.3
83.98993	0.3
85.07680	0.4
86.06073	0.4
91.88466	0.3
97.99205	0.4
98.97601	0.6
99.05560	0.4
100.02467	2.0
100.97149	0.4
100.98046	0.5
101.00878	15.5
101.07154	0.7
103.02516	0.4
107.05336	0.6
111.04470	0.8
116.05774	0.8
116.98625	0.7
118.01705	0.5
118.03539	5.9
118.96789	1.1
119.01926	100.0
120.02037	2.2
121.01683	1.2
124.02454	3.5
134.99661	0.7
136.02731	1.4
136.04541	4.7
137.02966	40.0
138.03073	0.7
139.02670	0.6
142.03506	57.2
143.03667	3.0
146.36440	0.4
153.00664	0.4
160.04565	51.0
161.03029	2.2
161.04695	1.9
165.05034	1.8
178.05614	16.7
179.03992	4.0
179.05418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
56.05039	1.2
56.96568	1.0
60.95839	0.6
67.05508	2.1
70.06600	0.7
70.97646	1.2
71.19770	0.5
72.08158	1.9
75.65926	0.4
82.99851	0.7
84.08147	80.8
85.06563	1.0
85.08484	1.1
93.07066	0.5
98.09692	6.5
98.97587	1.4
100.02470	1.1
101.00878	10.6
101.97225	0.5
102.00941	0.9
102.09163	0.5
102.96869	1.8
103.02470	0.8
107.05285	1.6
111.04431	1.5
116.05791	3.7
116.10730	2.1
116.98624	1.5
118.03487	0.9
118.47307	0.8
119.01927	100.0
120.02019	8.7
120.97903	1.8
121.01662	1.4
121.02445	0.6
121.03496	0.8
124.97575	1.6
126.09128	0.6
127.47863	0.9
127.56593	0.7
129.04807	0.6
129.54785	0.4
130.08649	27.1
133.98116	8.0
134.98006	0.8
134.99640	1.1
136.48392	5.7
137.02963	53.2
137.50009	0.7
138.03053	4.9
138.05151	0.4
138.98932	0.8
139.03513	0.4
142.03502	5.1
142.98634	2.0
143.01883	0.6
143.03635	5.6
144.03203	2.1
144.10199	1.3
145.48898	23.3
146.48766	1.8
147.99194	0.6
149.00829	1.0
152.73688	0.5
154.49422	5.3
155.49301	0.9
156.99680	3.3
160.04526	1.7
161.02957	5.5
161.04678	4.8
161.09354	0.5
161.12843	5.6
162.04337	1.2
174.98566	0.7
179.04030	10.5
179.05643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03940	2.9
54.03479	0.7
55.01887	0.8
55.05515	2.0
56.05045	5.0
56.96566	41.4
57.03437	2.7
57.07095	0.5
58.02973	0.7
58.06611	2.1
59.05016	0.9
59.06129	7.8
59.93102	0.5
60.04532	3.3
60.06462	0.5
67.05515	1.8
68.05032	1.6
69.03437	1.9
69.04565	0.6
69.07090	0.6
69.89867	1.5
69.90284	1.5
70.02972	0.7
70.06592	3.0
71.04991	3.5
71.06104	1.0
71.06933	1.4
71.95268	5.1
72.04520	4.0
72.08163	1.9
72.96031	0.6
73.02932	1.4
74.06080	2.4
74.97602	0.9
75.05592	0.6
76.03999	1.5
76.93366	4.4
79.05495	1.0
81.03419	46.9
81.07064	0.5
82.02988	0.7
82.03754	0.7
83.01349	0.6
83.04976	1.3
83.06100	2.7
84.04504	4.6
85.02917	4.1
85.04015	0.9
85.06540	2.8
85.07658	2.3
86.06066	2.2
87.04472	5.9
87.05602	2.1
88.05923	0.9
91.05492	1.3
94.06588	0.5
94.94409	1.4
95.04972	2.2
95.06108	2.6
95.08617	0.7
96.04489	2.1
96.08131	0.6
97.02902	0.9
97.06536	1.3
97.07671	1.4
98.03696	1.2
98.06048	1.5
98.07170	0.5
98.97585	82.6
99.04493	3.0
99.05592	4.8
99.97923	1.8
100.03985	2.7
100.07612	0.9
101.02377	1.2
101.07170	1.2
102.05540	2.4
103.05464	1.4
105.07043	1.5
109.02883	11.9
111.04424	0.8
111.05560	2.0
112.06329	0.6
112.07629	1.0
113.02402	2.7
113.06000	3.3
113.07133	4.2
113.07910	1.4
114.05538	2.0
115.03912	1.5
115.05468	12.2
116.05003	0.5
116.05857	0.7
116.98621	99.8
117.05749	5.7
117.06644	2.3
117.95994	3.7
117.98986	2.3
118.05045	0.7
118.06542	2.6
118.96735	1.3
119.01908	1.1
123.04401	0.5
123.05553	1.2
124.03943	0.9
125.07159	1.3
130.06535	12.1
131.04956	1.5
131.06851	2.0
131.08589	3.3
132.08092	48.9
133.08443	1.3
134.99660	100.0
135.97037	4.3
136.00002	2.8
136.01921	0.5
137.02991	0.8
140.00182	6.6
141.01813	8.7
141.05489	1.3
141.06596	4.1
141.10269	0.8
142.04922	1.0
142.06519	26.0
142.09692	0.8
143.07019	0.6
143.08203	0.8
144.09343	1.0
152.99466	0.8
153.00716	16.8
154.01039	0.7
158.01280	8.3
158.08363	1.2
159.02914	1.4
159.07747	7.9
159.09152	55.9
159.11436	6.1
159.15768	0.6
160.04694	0.8
160.06210	1.1
160.07579	10.2
160.09558	1.9
160.10742	0.8
160.86693	0.5
176.02303	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27174	0.4
53.03949	0.6
55.01885	0.6
55.05511	1.2
56.96565	5.7
57.03441	1.5
58.06610	1.5
60.05644	1.8
61.02928	0.5
62.19856	0.4
65.89590	0.4
67.05490	0.6
68.05023	0.9
69.03429	1.1
70.04082	9.1
70.06595	60.9
70.98113	0.8
71.04994	8.9
71.06120	1.6
71.06908	2.2
71.11980	0.5
71.12300	0.6
71.94131	0.4
72.05327	1.0
75.04496	0.8
80.05009	0.4
81.03428	3.1
83.00822	0.3
84.08154	2.2
84.96027	0.5
85.02921	1.5
85.06543	0.5
85.07678	1.4
87.04478	0.9
88.07626	1.7
88.08755	1.9
89.06078	0.4
90.01552	0.6
93.07043	0.4
94.06572	0.4
95.06091	1.7
96.01567	0.4
97.02314	0.6
97.02910	0.4
97.07652	1.0
97.96831	2.2
98.06065	4.6
98.97587	7.4
99.01986	1.1
99.04453	3.2
99.06863	0.5
100.05262	1.8
103.02415	0.4
104.01321	0.5
105.02096	0.6
108.04452	0.8
109.02888	0.8
110.01294	0.9
110.07188	0.8
110.97568	0.5
112.02850	0.4
112.05082	1.8
112.07623	5.8
112.08734	52.8
113.07117	2.5
113.09061	1.1
114.05537	0.8
115.08701	2.3
115.97858	1.1
116.07099	16.7
116.09016	0.9
116.98627	6.9
117.02071	1.9
119.01842	1.2
121.01681	0.7
124.08767	0.4
126.02593	2.1
131.00224	0.5
133.98853	0.6
134.99663	3.9
135.03096	4.6
139.02710	0.4
140.00134	0.5
140.07062	0.6
141.06607	3.7
143.01875	0.8
144.03622	6.4
147.05806	1.0
149.01233	0.9
149.06630	0.8
153.00700	0.6
155.54424	1.6
158.05670	9.4
158.08203	3.9
158.09258	100.0
158.11388	2.4
158.12836	10.0
158.15352	2.5
159.07654	1.7
159.09622	1.2
161.01210	0.5
161.02986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82460	0.3
54.98628	0.4
56.96567	14.0
62.04468	0.3
69.97446	1.1
71.95270	2.5
86.41641	0.3
87.05611	0.3
96.50529	0.4
98.20832	0.7
98.97586	100.0
99.97937	0.4
100.02509	0.6
116.98624	94.2
117.98983	0.7
118.03517	1.0
119.01932	1.6
123.49301	0.4
134.03001	1.7
134.99663	58.7
136.00073	0.6
137.02928	0.6
140.00200	3.5
140.18361	0.3
141.50323	0.4
152.99472	0.5
153.00716	9.9
158.01276	4.7
158.02504	0.6
158.15489	0.3
164.48399	0.5
176.02293	0.8
176.03902	0.4
177.67361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22291	0.4
55.01854	0.5
55.05509	0.5
56.05034	0.5
56.96566	11.5
57.03440	3.3
58.06608	0.6
60.05650	1.4
61.32088	0.4
65.63071	0.4
68.02656	0.7
68.05033	0.6
68.14413	0.4
69.03440	2.1
70.04081	4.9
70.06593	68.6
70.92993	0.4
70.93379	1.4
70.98120	1.2
71.04994	7.6
71.06126	1.0
71.06932	1.6
72.05318	0.7
72.08151	0.5
73.02929	1.2
74.97599	0.6
75.04478	0.9
80.00842	0.5
81.03422	4.1
84.08136	1.5
84.96026	1.0
85.02909	3.0
85.07655	1.6
87.01004	0.5
87.04477	1.5
88.08768	0.7
89.06040	0.9
90.01558	1.0
95.06091	1.9
95.06709	0.4
96.01559	1.6
97.02326	0.7
97.02889	0.8
97.07630	1.2
97.96811	4.2
98.06061	3.0
98.97588	22.4
99.01992	0.7
99.04453	4.4
99.06411	0.5
100.05231	3.8
101.00765	0.7
103.02341	1.2
104.01248	0.6
105.02091	1.0
108.01514	0.5
109.02894	2.0
110.01286	2.5
110.07171	0.5
110.97546	0.9
112.02856	1.2
112.05119	0.6
112.07629	5.6
112.08733	54.2
113.07140	2.8
113.09050	0.9
114.02554	0.5
114.05547	0.5
115.08678	2.4
115.97855	3.3
116.07095	16.8
116.98624	18.1
117.02081	3.2
119.01799	1.9
121.01684	1.4
126.02578	7.2
126.52737	0.5
128.11850	0.4
128.98593	1.0
131.00165	1.4
133.98880	1.1
134.98627	0.7
134.99658	9.7
135.03093	8.8
140.00160	0.7
140.07086	0.8
140.08153	0.6
141.06566	3.3
143.00146	0.5
144.03622	12.9
144.53780	0.9
146.53955	0.8
146.99580	0.5
147.05754	0.7
149.01233	0.8
152.00000	0.4
153.00693	1.4
155.00200	0.4
155.54445	2.2
158.01228	1.0
158.05698	4.7
158.09254	100.0
158.12798	4.8
158.15402	1.2
159.07629	1.4
159.09685	2.1
161.01265	0.5
161.02859	0.5
165.00850	0.4
173.01169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
54.98645	0.6
55.01878	6.3
55.05509	1.4
56.05029	1.4
56.96569	32.5
57.03442	3.3
58.06597	1.9
58.99866	0.5
59.04993	0.7
59.06107	0.5
60.05651	7.7
60.57001	0.4
61.02935	1.5
65.03931	0.5
67.05503	1.6
68.05029	2.1
68.99786	0.9
69.03436	3.2
69.07083	1.1
69.28480	0.4
70.04089	2.7
70.06596	47.2
70.98129	1.2
71.04996	40.9
71.58590	0.6
71.95269	1.3
72.08155	1.3
72.93793	0.4
72.96088	0.4
73.02915	3.7
73.06441	1.9
74.00257	1.9
74.93838	2.6
74.97613	1.5
75.04485	0.5
77.00817	0.6
80.05016	4.8
81.03429	2.1
81.07066	0.7
82.01411	0.5
82.06599	0.6
83.00784	10.3
83.01292	1.1
83.04993	2.6
83.06103	2.2
83.50953	0.4
84.01627	0.5
84.04508	0.8
84.06422	0.8
84.08153	2.4
84.96037	1.0
84.99243	0.5
85.02901	3.2
86.06066	1.3
86.07153	0.4
86.09708	14.6
87.04475	1.4
88.04008	0.4
88.07638	15.4
88.51566	0.7
88.99157	1.7
89.00791	0.6
90.01566	0.8
91.00522	2.1
91.02336	0.7
92.01310	17.5
93.03412	0.6
93.07045	0.5
94.04895	0.7
94.51574	2.8
95.00765	1.2
95.04978	2.1
95.06087	1.3
95.08613	0.8
96.01546	1.4
96.04527	0.6
96.06403	0.9
96.08164	0.5
97.00520	0.6
97.02333	0.9
97.02904	2.2
97.06505	0.6
97.07663	4.1
97.96812	2.1
97.99184	2.5
98.01299	1.4
98.06057	14.0
98.09690	3.2
98.97588	73.7
99.02074	1.9
99.04465	2.9
99.06869	0.8
100.01019	1.8
100.02465	1.1
100.05230	2.1
100.07667	0.6
101.00811	1.0
101.01832	1.1
101.02574	1.3
102.00961	0.6
102.02260	1.1
102.51291	0.5
102.53120	0.7
103.02341	0.9
103.52092	5.7
104.01286	4.7
105.02100	2.1
106.01032	0.6
108.01529	1.0
108.04481	1.9
109.02908	1.5
109.52019	0.7
110.01294	3.6
110.07147	2.2
110.97589	1.3
111.00272	1.3
111.02069	2.3
111.04487	2.3
111.05614	0.6
111.06840	1.4
111.07500	9.9
111.08198	0.8
111.09228	1.4
112.01019	0.6
112.02896	0.7
112.05141	0.5
112.07609	3.6
112.08732	19.4
112.11242	0.7
112.51565	0.5
112.52748	0.5
112.99991	0.6
113.01804	15.7
113.02552	0.9
113.07127	3.2
113.52058	1.0
114.10326	0.8
115.08697	28.6
115.52106	0.8
115.96468	2.8
115.97844	1.3
116.00219	1.6
116.07097	4.1
116.97252	2.4
116.98627	69.8
117.02019	3.0
118.01070	0.8
118.03498	0.7
119.01894	3.3
119.03761	0.6
120.00782	1.2
120.01916	3.5
120.03313	0.7
121.01620	1.6
122.02342	9.5
122.52616	1.0
124.52575	2.2
125.02406	1.2
125.07103	2.0
126.02560	4.1
127.03915	1.2
128.02309	1.1
128.98660	2.3
130.09772	14.7
131.00168	1.8
131.02835	0.7
133.01648	0.8
133.03468	1.4
133.05176	0.6
133.53140	2.2
133.97485	1.5
134.03036	1.0
134.99664	52.2
135.03081	6.7
135.05113	0.7
137.02969	1.1
137.53336	0.8
138.03059	0.8
139.08684	0.7
140.00192	3.0
140.07063	1.4
140.08206	4.3
141.06609	1.1
143.03661	1.7
144.03629	6.2
144.98129	0.8
146.53883	0.5
146.99643	2.3
149.01221	1.4
153.00722	8.7
155.54420	1.1
157.01370	0.6
157.08255	2.4
157.09912	3.6
157.10857	100.0
158.01271	4.5
158.05681	2.3
158.08113	3.2
158.09251	30.6
158.11360	1.4
158.12804	3.4
158.15422	1.9
158.99704	1.8
161.01204	0.7
162.99245	0.9
165.00725	1.4
176.02348	0.8
177.00755	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	157.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
54.98645	0.5
55.01875	4.8
55.05510	1.7
56.05025	1.3
56.96567	35.7
57.03442	2.8
58.06604	1.2
59.05004	0.5
59.06134	0.5
60.04535	0.5
60.05651	4.5
61.02923	1.2
62.04509	0.4
67.05496	1.8
67.51069	0.5
68.05047	0.7
68.99803	0.4
69.03434	2.6
69.07070	0.7
70.04075	1.4
70.06593	42.5
70.35328	1.6
70.95905	0.5
70.98121	2.0
71.01359	0.5
71.04993	26.3
71.06105	0.7
71.94102	0.4
71.95258	3.0
72.04497	0.5
72.08134	1.3
73.02909	2.4
73.06421	1.2
74.00252	1.6
74.93849	2.1
74.97614	1.3
75.04485	0.9
75.94613	0.5
76.51587	0.7
79.05489	0.5
80.05019	4.0
81.03416	2.8
81.07027	0.5
82.05320	0.4
82.06571	0.9
83.00785	8.8
83.01302	0.7
83.04994	2.3
83.06097	1.6
84.04476	0.9
84.06419	0.5
84.08141	1.4
84.96037	1.2
85.02907	3.2
85.07671	1.0
86.06096	0.7
86.09705	9.6
87.04475	1.2
87.05579	0.5
88.07632	9.2
88.99178	1.3
90.01563	1.0
91.00520	1.7
92.01302	12.0
92.94871	0.5
93.03402	0.5
93.07072	0.6
94.51584	2.9
95.00751	0.7
95.04969	3.4
95.06083	1.1
96.01548	1.8
96.06393	0.5
97.00504	0.5
97.02344	0.8
97.02900	2.6
97.06542	0.4
97.07654	3.3
97.96797	1.7
97.99203	2.7
98.01295	1.1
98.06058	8.2
98.07162	0.4
98.09683	2.7
98.21487	0.5
98.97585	97.8
99.02069	1.9
99.04473	2.3
99.05577	0.7
100.01010	1.8
100.02464	1.0
100.05224	1.2
101.00813	0.9
101.01830	1.5
101.02575	0.5
102.01565	1.0
102.02215	0.9
102.51307	0.6
103.02377	0.7
103.52097	4.6
104.01271	5.3
104.02321	0.5
106.01003	1.3
107.01839	0.5
108.04447	0.9
109.01508	0.5
109.02862	1.6
110.01286	2.4
110.07143	3.1
110.97594	1.3
111.00196	0.6
111.02071	2.4
111.04476	2.2
111.05587	0.5
111.06840	1.6
111.07501	8.9
111.08205	0.7
111.09210	1.3
112.07609	1.7
112.08727	18.3
113.01807	14.7
113.02551	1.0
113.07119	2.0
113.51973	0.6
114.10303	0.7
115.08690	17.2
115.96471	2.3
115.97840	1.5
116.00218	1.9
116.01311	0.6
116.07108	3.8
116.97249	3.0
116.98621	100.0
117.02014	2.8
118.03526	0.9
119.01879	4.3
120.00758	0.6
120.01867	2.1
120.02689	0.8
120.03328	0.9
121.01630	1.7
121.02844	0.5
122.02338	10.4
122.51056	0.7
122.52722	0.8
124.52597	2.1
125.02366	1.8
125.07122	1.2
126.02577	3.9
127.03911	0.9
128.02296	0.9
128.98604	2.2
130.06494	0.5
130.09761	9.0
131.00151	1.4
131.02818	0.6
131.53397	0.5
133.03471	1.1
133.05107	0.5
133.53094	1.3
133.97479	1.7
133.98946	0.5
134.01295	0.7
134.03001	1.8
134.99658	78.7
135.03087	6.3
137.02940	0.8
137.53323	0.6
138.03072	1.0
139.02705	0.7
139.03929	0.5
140.00168	2.8
140.07147	0.8
140.08176	2.7
141.06610	1.4
143.00119	0.8
143.03639	1.7
144.03630	9.9
144.98035	0.6
145.03705	0.5
145.51424	0.5
146.05034	0.7
146.53871	0.6
146.99635	2.6
149.01228	1.3
150.96907	0.9
151.97208	0.7
152.96904	0.6
153.00710	13.7
155.54419	1.2
157.04922	0.9
157.08064	1.8
157.09908	2.5
157.10852	61.8
158.01262	6.5
158.05659	1.4
158.08163	1.7
158.09256	26.4
158.12856	2.5
158.15421	1.5
158.99663	1.3
161.01219	1.4
161.04622	0.5
162.99107	1.0
165.00719	1.0
169.01509	0.5
173.03004	0.5
175.02716	0.6
175.04449	0.4
176.02307	1.9
177.00731	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	156.1021
Annotation	Scopoline
Peak:m/z	Relative Intensity
51.96274	0.7
53.03948	1.3
54.03463	1.3
55.01866	1.4
55.05516	7.7
55.93534	1.9
56.05040	4.8
56.96570	8.2
57.03436	3.4
57.04538	1.0
57.93598	0.9
58.06601	3.1
59.05001	0.9
59.06118	4.5
60.04523	3.9
63.79481	0.8
67.02979	2.2
67.04243	0.9
67.05508	7.5
67.65184	0.8
68.05029	5.2
68.05834	0.9
69.03427	3.0
69.04545	3.3
69.07070	13.2
69.78923	4.8
70.06602	7.3
70.95870	24.7
71.06116	2.3
72.04523	5.0
72.08147	3.5
72.93388	1.6
72.93793	28.8
73.02901	0.8
73.04050	1.0
73.93838	2.7
74.06079	2.6
74.93842	15.0
75.05611	1.1
79.05497	4.6
80.05017	1.8
81.04543	5.1
81.05788	0.9
81.07066	4.1
82.02942	1.4
82.05299	1.5
82.06589	9.1
82.64571	0.8
83.04991	5.1
83.06104	5.4
83.08619	1.8
84.04506	3.0
84.08135	2.3
85.02914	1.5
85.04034	1.3
85.07664	1.9
86.06062	2.4
86.09700	5.7
87.05591	2.7
88.04026	0.9
88.96905	10.2
90.94826	8.1
91.05481	2.3
91.94859	1.1
92.94861	3.4
93.04479	1.1
93.07047	9.5
94.06563	3.6
95.04969	3.2
95.06104	2.9
95.07363	2.6
95.08607	9.4
96.04506	17.3
96.05601	3.2
96.08135	11.4
96.08965	1.1
97.02881	2.4
97.04032	4.7
97.05282	14.7
97.06540	17.6
97.07640	6.7
98.04800	1.3
98.06055	3.0
98.07202	5.5
98.07738	1.1
98.09728	4.1
99.05569	2.2
99.09229	1.1
100.03975	1.5
100.07616	6.7
106.97958	1.1
108.05600	1.9
108.08122	3.0
108.95856	2.2
109.06543	3.8
109.07633	2.3
110.02464	0.9
110.06042	33.4
110.07178	12.5
110.09693	20.8
110.10436	1.4
110.95880	0.9
111.04444	2.7
111.05583	4.8
111.08089	71.1
111.09256	3.0
111.98486	11.2
112.04826	0.9
112.04964	0.9
112.07628	1.7
112.08443	1.3
113.06028	1.6
113.07119	3.1
113.10770	2.5
113.96437	4.6
114.05506	1.5
114.06667	12.2
114.09209	1.1
114.10249	1.3
114.96692	1.8
115.05068	2.3
115.08694	1.8
115.96447	13.4
120.05614	2.9
120.08101	2.9
121.06496	3.4
121.07671	0.9
123.06826	1.5
123.07958	0.7
125.08369	7.1
126.09164	38.7
128.07095	2.0
128.08099	0.7
128.10695	1.8
129.07065	0.9
129.10239	1.7
129.99530	11.3
131.97444	4.2
132.95839	26.0
132.97627	2.5
133.97482	14.5
138.05515	3.9
138.06624	8.7
138.09148	70.1
139.05029	1.8
139.07541	16.5
139.08662	3.9
139.09520	1.9
141.01839	1.8
142.07759	1.5
150.96898	84.5
151.96954	2.0
153.01167	1.2
155.97441	4.7
156.06546	4.2
156.07674	8.6
156.10211	100.0
156.11316	7.2
156.13695	3.9
156.99120	1.9
157.01331	1.5
157.04967	2.1
157.06206	1.2
157.10547	2.8
161.03017	1.5
168.97986	5.0
173.98473	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	156.0769
Annotation	Histidine
Peak:m/z	Relative Intensity
53.03954	0.2
54.03462	0.2
55.01874	3.4
55.05519	0.7
56.05032	1.0
56.96570	5.2
57.03444	0.8
57.04529	0.2
58.06593	0.2
58.99849	0.2
59.04999	0.3
59.40244	0.2
60.05656	1.1
61.02929	0.9
65.03962	0.2
65.82436	0.2
66.53095	0.2
67.05509	1.0
68.05026	2.1
68.99796	0.5
69.03429	1.7
69.04534	0.4
69.07079	0.4
69.52475	0.2
69.96158	0.2
70.06593	5.0
70.21845	0.6
70.95867	2.6
70.98132	0.3
71.04996	5.8
71.94105	0.5
72.08160	0.6
72.93800	2.2
73.02926	0.9
73.93862	0.2
74.93813	0.5
74.97609	0.2
78.52961	0.4
80.05016	1.0
81.03418	0.4
81.04546	0.5
82.01447	0.2
82.05329	2.2
82.06597	0.7
83.00787	2.9
83.01309	0.3
83.05014	1.0
83.06106	8.6
84.04518	0.5
84.08142	0.9
84.99277	0.3
85.02908	0.4
86.06075	5.7
86.09713	1.9
86.52696	0.4
87.02050	0.2
87.04469	1.2
87.06372	0.2
88.07634	2.4
88.51596	0.3
88.96918	0.9
88.99191	0.2
89.00803	0.3
90.01542	0.3
90.94830	0.7
90.95386	0.2
91.00526	0.4
91.02399	0.2
91.05430	0.2
92.01302	3.5
92.52686	0.5
93.02776	0.2
93.04536	5.7
93.07058	0.7
94.51566	1.3
95.01339	0.3
95.05022	1.1
95.06093	7.2
96.04495	0.7
96.08123	0.5
97.02905	0.7
97.04826	0.4
97.06549	0.2
97.07672	0.7
97.99205	0.5
98.01302	0.6
98.06048	1.4
98.09701	0.5
98.97585	1.5
99.02087	0.5
99.04424	0.3
100.01048	0.3
100.02487	2.4
100.07636	0.3
101.00888	1.5
101.02564	0.3
101.53209	0.3
101.99765	0.2
103.02414	0.6
103.52091	1.4
104.01285	1.5
104.51458	0.4
104.96426	0.2
105.02075	0.2
107.01817	0.6
107.53191	0.2
108.95848	0.2
109.07644	0.2
110.07169	100.0
110.09657	1.4
111.00184	1.2
111.00898	0.3
111.02050	0.4
111.04436	1.4
111.05561	1.9
111.06822	0.4
111.07508	1.8
111.08130	0.3
111.09187	0.3
111.98474	1.1
112.07614	0.2
112.08725	1.0
113.01787	4.1
113.96437	0.3
114.04010	0.2
114.05549	1.4
114.09173	0.5
115.00659	0.3
115.02415	0.4
115.08688	4.6
115.52055	0.3
115.96481	0.3
116.00234	0.5
116.98657	0.9
117.01936	0.3
118.01119	0.2
118.03513	1.5
119.01925	8.8
119.51966	0.2
120.00751	1.1
120.02016	0.6
121.03507	0.3
122.02331	3.2
124.03753	0.5
124.52615	0.7
125.02392	0.2
125.07158	0.3
125.51975	0.3
126.09211	0.4
128.07147	0.6
128.08202	8.6
128.98624	0.4
129.05386	0.2
129.99554	0.8
130.09775	2.3
131.00188	0.2
131.01888	0.5
131.02829	0.3
131.51550	0.2
131.96169	0.4
131.97383	0.3
132.01990	0.3
132.05078	0.5
132.95821	2.9
132.96664	0.2
133.01671	1.5
133.03456	2.1
133.53073	0.4
133.97520	0.3
134.02231	0.2
134.03522	0.2
134.52507	0.3
134.99658	0.4
135.03145	0.3
136.02147	0.2
137.02968	3.4
138.03081	0.2
138.05515	2.8
138.06560	0.3
138.09145	0.3
138.10172	0.3
139.00293	0.4
139.03905	0.3
139.05008	0.4
139.07590	0.2
139.08588	0.2
139.09520	0.4
140.08148	0.2
142.03500	4.4
143.03630	0.3
144.03514	0.2
144.99844	0.2
146.99669	0.4
147.05022	0.4
148.05028	0.3
149.97226	0.7
150.96854	6.9
151.04521	0.9
151.97220	0.2
154.03566	0.2
155.97362	0.4
156.03012	0.3
156.05055	0.5
156.06557	1.2
156.07690	15.1
156.10207	2.4
156.11362	0.5
156.13731	0.8
157.01358	0.6
157.04971	0.2
157.10857	14.8
158.99692	0.4
160.04561	1.7
161.01234	0.4
162.99182	0.4
165.05098	0.2
168.01414	0.2
168.97995	0.3
168.99895	0.2
173.98538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0768
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01878	1.0
55.05518	0.2
56.05037	0.6
56.18290	0.1
56.96561	0.8
57.03420	0.2
60.05684	0.2
65.03953	0.2
67.05508	0.6
67.15060	0.1
68.05038	1.4
69.03427	0.3
70.06596	3.0
70.64372	0.5
70.95866	0.5
71.04992	0.7
72.08145	0.2
72.93795	0.6
81.04545	0.5
82.05330	2.0
82.06573	0.3
83.00783	0.3
83.04999	0.6
83.06105	8.2
84.04487	0.2
84.08154	0.4
86.06075	0.6
87.04474	0.2
88.07597	0.3
92.01298	0.2
93.04530	6.3
95.04984	0.6
95.06089	7.3
96.04485	0.4
96.06306	0.2
97.02914	0.2
98.06080	0.5
98.20776	0.2
100.02489	0.3
101.00874	0.3
101.02529	0.2
104.01299	0.2
110.07166	100.0
111.02039	0.3
111.04427	0.4
111.05589	1.1
111.06816	0.3
111.07487	2.1
111.08115	0.2
112.08728	0.6
113.01776	0.3
113.07166	0.2
114.05506	1.2
115.08701	0.7
116.00226	0.2
119.01918	2.0
119.03557	0.2
122.02309	0.6
126.09177	0.7
128.07109	0.4
128.08206	0.8
130.09737	0.2
132.95848	0.6
133.03455	0.3
137.02956	0.6
138.05502	0.6
138.06651	0.2
139.05060	0.2
140.08154	0.2
142.03517	0.6
150.96852	1.4
156.06596	0.7
156.07687	13.1
156.10240	1.2
156.13864	0.5
157.01349	0.4
157.10867	1.8
160.04588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21757	0.1
52.33065	0.1
55.01875	0.3
55.05502	0.2
56.05039	0.8
56.96572	1.0
60.05643	0.3
63.11209	0.1
67.05482	0.2
68.05025	0.8
69.03423	0.2
70.06593	4.6
70.93185	0.4
70.95876	1.1
71.05003	1.5
72.08159	0.4
72.93792	0.8
73.02913	0.2
80.05001	0.2
81.04556	0.5
82.05332	2.3
83.00778	0.3
83.05020	0.3
83.06105	9.0
84.04488	0.2
84.08152	0.2
85.02909	0.3
85.07686	0.4
86.06071	0.6
88.07632	0.4
88.96901	0.2
90.01556	0.2
90.94875	0.2
92.01318	0.8
93.04531	6.4
95.05088	0.3
95.06093	6.8
96.04568	0.1
97.07654	0.2
97.99155	0.2
98.06056	0.8
98.09692	0.5
98.97614	0.2
100.02485	0.3
101.00898	0.8
101.02530	0.2
110.07166	100.0
111.02068	0.2
111.04460	0.2
111.05560	1.1
111.06860	0.3
111.07510	2.2
111.98483	0.4
112.08716	0.8
113.01790	0.7
114.05556	0.3
115.08667	1.2
115.20023	0.1
118.03523	0.3
119.01046	0.3
119.01913	4.1
120.01936	0.2
121.01527	0.2
122.02327	0.9
122.52857	0.4
128.08212	0.2
129.99532	0.2
130.09766	0.5
131.53387	0.3
131.96190	0.2
131.97394	0.2
132.95786	1.0
133.03479	0.3
134.02293	0.2
137.02959	1.5
138.05504	0.3
138.06650	0.3
140.08253	0.2
142.03517	2.3
143.03613	0.2
149.97281	0.3
150.96808	1.8
151.04549	0.3
155.97473	0.2
156.07690	11.8
156.10179	0.4
156.13834	0.5
157.08047	0.3
157.10841	3.6
157.12035	0.2
160.04527	0.8
173.98543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01875	1.6
55.05510	7.5
55.93504	1.0
56.05043	1.8
56.96564	3.0
57.03435	2.0
57.07069	2.1
59.04869	1.7
59.06120	2.2
60.05647	1.5
65.03935	2.5
65.06124	1.5
67.05505	23.6
68.05021	1.6
69.03420	2.9
69.04546	1.3
69.07069	4.6
69.72412	5.9
70.06594	17.3
70.95872	8.1
71.01331	1.0
71.04993	7.6
71.06102	2.9
71.08630	0.9
72.06900	3.1
72.08156	4.1
72.93791	100.0
73.02892	1.1
73.84119	0.7
73.93833	1.3
74.09743	0.8
79.05482	4.9
80.05013	2.3
81.03416	2.7
81.04520	1.5
81.07060	12.7
82.06558	2.4
83.04982	4.5
83.08607	1.4
83.60935	0.7
84.05638	1.1
84.08148	1.5
85.02905	2.0
85.06550	3.8
85.07659	2.7
86.06065	1.0
86.07201	2.2
86.09690	1.1
87.05600	0.8
87.07980	5.0
88.96894	2.2
90.06863	2.5
90.94830	25.8
91.05483	4.0
93.07040	4.4
94.06557	1.5
95.04971	12.5
95.06001	0.8
95.08605	13.8
96.04487	2.0
96.05618	4.0
97.02879	1.5
97.04011	1.3
97.06505	2.2
97.07640	3.2
98.07169	2.2
98.09703	1.2
98.98441	1.4
99.04465	4.3
99.05541	1.0
99.08102	0.8
104.08424	1.1
106.97895	0.9
107.08583	1.2
108.08111	4.1
108.95866	6.2
109.02892	4.7
109.06529	5.1
109.07648	1.7
109.08875	1.6
109.10147	14.6
110.06036	2.5
110.07195	6.7
110.09702	1.9
111.04457	5.4
111.08102	1.9
111.09219	2.3
111.98439	5.1
112.01565	2.5
112.08743	4.4
113.06022	4.8
113.07095	1.2
113.08293	1.2
113.96405	58.8
114.06642	4.6
114.10281	3.6
118.10003	1.2
119.07024	1.9
120.05610	1.0
122.09649	5.4
123.04472	4.3
124.11217	1.1
126.07926	1.7
127.03919	9.4
127.07560	2.4
127.08683	2.5
128.08174	1.4
129.99525	1.5
131.97441	61.3
132.95833	9.4
132.97470	1.2
133.08678	3.2
133.12321	1.3
134.09470	5.7
136.11217	1.5
137.02385	2.0
137.05978	2.3
137.07030	1.1
137.09619	4.5
138.06609	1.8
138.09068	1.1
138.12766	1.3
140.04691	1.0
140.09482	1.5
141.01782	1.4
149.97212	6.0
150.00743	1.2
150.12779	5.6
150.96895	25.2
152.14366	2.0
154.99052	7.8
155.03418	9.5
155.07019	11.6
155.08221	3.4
155.09248	2.0
155.10625	1.8
155.11797	3.8
155.12932	2.7
155.97386	2.0
156.04190	3.8
156.06496	1.2
156.07524	1.7
156.10204	2.0
173.98558	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1068
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.03941	1.4
55.01849	1.1
55.05512	26.9
56.05030	0.9
56.96563	1.9
57.03441	6.0
57.04568	0.9
57.07069	2.0
59.05004	4.3
59.06117	2.1
62.42785	0.6
65.03930	3.3
65.13094	0.8
67.05507	83.4
68.05030	1.1
68.05837	1.0
69.03431	3.4
69.04559	1.1
69.07069	8.5
69.71227	2.4
69.71642	2.9
69.96166	0.8
70.06582	1.5
70.95868	5.6
71.00965	0.9
71.01360	16.2
71.04995	88.6
71.94070	1.0
72.04502	1.5
72.05326	1.6
72.08150	0.9
72.93791	63.8
73.28306	0.8
73.93842	1.3
79.05490	8.9
80.58936	0.7
81.03420	2.3
81.04545	1.5
81.07059	50.1
82.07374	1.3
83.04980	7.1
83.06120	1.2
83.08618	2.9
85.06555	4.1
85.07671	1.3
86.06093	1.2
88.96892	1.9
90.94829	16.2
91.05479	4.1
93.03403	0.9
93.07056	8.0
95.04975	15.5
95.06104	1.8
95.08610	65.9
96.05618	2.9
96.08931	1.9
97.02888	1.0
97.04031	1.0
97.06521	3.3
97.07642	1.8
98.06062	0.8
98.07183	2.0
98.20766	0.9
98.98459	0.9
99.04457	68.8
99.08095	5.2
100.04797	1.7
101.06030	1.5
107.08617	4.6
108.95880	2.6
109.02876	3.2
109.06528	8.2
109.07654	2.0
109.10159	100.0
110.06009	1.3
110.07184	4.4
110.10500	3.2
111.04425	5.8
111.08080	7.1
111.98460	2.9
112.01598	1.2
112.08711	3.0
113.06020	7.1
113.07127	1.0
113.08289	1.5
113.09615	1.3
113.96406	36.0
114.06663	4.0
114.10295	1.6
119.08593	2.7
123.04395	1.5
127.03922	5.7
127.07557	1.7
128.07085	1.0
129.99519	2.1
131.96347	1.2
131.97438	36.6
132.95848	6.7
137.02328	1.3
137.05991	2.4
137.09621	12.4
138.05594	0.9
138.06622	2.3
138.09119	0.9
139.38870	0.7
149.97217	5.2
149.98373	1.2
150.96901	20.6
154.99060	4.0
155.03444	4.6
155.04556	0.8
155.07083	7.6
155.08183	1.6
155.09303	2.8
155.10670	16.1
155.11908	0.8
155.12897	3.0
155.97447	1.3
156.07716	1.2
156.11317	0.9
167.98347	0.9
173.98511	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1067
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
51.00275	1.4
53.03947	3.4
55.01876	1.7
55.05511	15.3
55.93517	2.4
56.05023	1.6
56.96555	2.7
57.03429	4.3
57.04544	1.7
57.07080	10.8
59.04999	3.0
62.05788	1.4
62.70613	1.4
63.68749	1.5
65.03951	5.1
67.05507	58.3
68.05020	1.9
69.03429	3.5
69.07063	7.0
70.06599	4.7
70.95855	9.5
71.01359	7.7
71.04018	2.5
71.04347	2.0
71.04995	47.3
72.04507	1.8
72.08132	1.8
72.93791	100.0
73.93834	1.7
78.60446	1.4
79.05498	5.7
81.03436	3.6
81.04550	1.5
81.07059	33.4
83.04988	6.3
83.06102	1.8
83.08636	1.9
85.06557	7.5
88.96892	1.9
90.94827	23.0
91.05489	2.6
93.07040	4.3
95.04981	31.5
95.08606	33.7
95.09167	2.7
96.05661	2.7
97.06532	3.1
98.98502	1.8
99.04453	36.8
99.08091	4.1
107.08659	2.8
108.95896	2.1
109.02885	6.1
109.06519	8.6
109.07650	2.2
109.10159	55.8
110.06034	2.3
110.07195	5.0
110.07944	1.9
110.10548	1.9
111.04444	8.0
111.05597	2.2
111.06370	1.7
111.08099	5.3
111.23547	1.5
111.98502	2.9
112.01587	2.3
112.08753	3.6
113.06001	8.0
113.96404	59.9
114.06659	5.6
114.10299	2.0
119.08571	2.7
122.09732	1.7
123.04429	6.5
124.03210	1.5
127.03924	13.7
127.07574	3.7
129.99544	3.2
131.96368	2.9
131.97441	48.7
132.95831	12.4
137.05971	2.6
137.09624	11.4
139.07584	2.2
140.04669	2.0
149.97246	6.2
149.98480	1.9
150.96890	26.2
154.99059	3.5
155.03462	7.9
155.07085	15.9
155.09013	17.8
155.10667	8.1
155.12888	3.9
155.14241	2.9
156.07715	2.9
156.09157	1.6
168.97910	1.6
173.98514	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	155.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84903	0.4
53.03947	1.0
54.03469	0.7
54.93839	1.7
55.01870	1.7
55.05506	5.5
55.93518	1.8
55.94606	0.5
56.05035	1.9
56.96284	0.9
56.96566	14.2
57.03423	1.4
57.04554	1.0
57.07066	0.8
58.02963	0.6
58.06601	0.9
59.04998	0.5
59.06122	1.8
60.04519	1.4
65.03942	37.8
66.04286	0.5
67.02984	0.7
67.05505	14.1
68.05044	2.0
68.99777	0.7
69.03427	4.1
69.04545	1.0
69.07071	1.1
69.96178	14.8
70.02957	0.5
70.06593	3.2
70.57574	1.2
70.95863	16.5
71.01366	0.7
71.05005	2.2
71.06104	0.9
71.94104	7.2
71.95275	0.6
72.04522	1.4
72.08145	1.3
72.08506	0.5
72.93790	56.6
72.96033	0.4
73.02912	0.7
73.06556	1.4
73.93843	0.6
74.04823	0.8
74.06069	0.5
75.05611	0.5
79.05502	2.2
81.03419	7.7
81.04523	2.0
81.07062	9.0
82.06580	2.8
83.04985	5.3
83.06111	3.3
83.08624	0.4
84.01602	0.5
84.04514	1.5
84.08141	1.5
85.02911	3.2
85.04020	0.6
85.06541	2.2
85.07658	0.7
86.06063	1.5
86.52653	0.5
87.04470	0.5
87.05570	0.9
87.97218	1.2
88.96903	6.8
89.95140	1.4
90.94829	17.8
91.05486	1.4
93.03404	8.8
93.04578	1.1
93.07031	1.4
94.06607	0.5
95.01332	0.7
95.04981	8.4
95.06060	3.2
95.08603	2.9
96.04536	2.0
96.05602	2.4
96.08124	0.8
97.02905	2.8
97.03999	2.0
97.06490	1.1
97.07654	1.1
98.06059	0.8
98.07185	1.6
98.97583	1.4
98.98481	1.1
99.04465	2.7
99.05571	1.0
100.07617	3.2
103.00425	0.5
106.01064	1.1
106.97938	1.4
108.05648	0.7
108.95864	5.2
109.02885	12.8
109.04004	1.0
109.06519	5.5
109.07641	9.8
109.10156	4.9
110.01299	0.6
110.03711	0.5
110.06052	4.2
110.07168	14.7
110.09737	0.6
110.98816	0.5
111.04443	100.0
111.09226	0.5
111.98483	8.9
112.01614	2.7
112.04745	2.5
112.07618	0.9
112.08717	0.9
112.09477	0.4
112.96702	0.6
113.02357	0.5
113.06013	3.9
113.07101	1.0
113.08261	0.7
113.95120	1.3
113.96398	26.6
113.98664	1.2
114.05521	1.1
114.06658	4.1
115.01495	0.4
116.98607	1.2
119.01883	0.9
120.05625	0.9
121.01613	0.5
122.05872	0.5
123.04417	2.3
126.09190	0.5
127.03916	11.6
127.07551	2.5
127.08656	1.0
128.07085	7.8
128.08075	1.0
128.97792	0.4
129.05478	0.8
129.99529	7.1
131.01923	0.8
131.96162	21.6
131.97438	35.0
131.99622	4.0
132.95839	15.8
132.96637	0.3
134.06046	1.1
134.99649	1.2
137.02336	16.3
137.03363	0.8
137.05975	2.1
137.07115	1.7
137.08072	0.6
137.09654	0.9
137.10672	0.9
137.98389	1.0
138.02666	0.7
138.04428	0.6
138.05501	10.5
138.06613	2.7
138.09122	1.9
138.10158	0.6
139.07539	0.4
139.08670	0.5
140.04666	1.5
141.01825	1.7
146.99716	0.5
147.03241	0.7
149.97205	78.7
150.00706	8.1
150.96884	55.1
151.97652	0.5
153.01085	0.8
154.90733	0.7
154.94183	0.5
154.97742	2.8
154.99042	3.1
155.03415	19.0
155.04610	1.8
155.06108	0.5
155.07027	12.3
155.08189	3.3
155.09103	3.2
155.10565	1.0
155.11818	1.9
155.12901	0.9
155.97426	4.4
156.02896	0.5
156.06531	1.4
156.07700	3.1
156.10240	0.9
156.11414	0.9
156.13826	2.2
158.99615	0.6
161.02965	0.5
164.05215	1.3
165.04408	1.4
167.98259	11.6
168.01842	1.2
168.97919	3.8
170.82716	0.5
172.95230	1.4
172.98814	7.4
173.02316	0.6
173.98486	6.5
174.04430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71062	0.6
54.93834	2.5
56.96559	2.3
57.03415	0.6
69.96178	23.1
70.83080	1.1
70.83449	1.4
71.94104	12.3
72.93776	1.5
75.40903	0.6
83.06094	2.8
86.52718	0.8
86.87036	0.7
87.97209	1.3
89.01733	2.1
89.51547	1.4
89.95155	1.2
93.04520	2.6
95.06087	2.1
96.08121	0.9
100.52500	0.7
101.00890	0.9
110.07171	31.9
110.98798	1.7
112.96735	1.2
113.95093	1.7
113.96355	0.8
113.97088	0.9
118.92129	0.7
119.01938	0.8
119.98984	0.7
126.99045	0.7
128.99570	0.9
129.49403	1.9
131.01898	0.7
131.49786	0.8
131.96149	51.4
131.99657	1.0
132.05080	3.3
136.93127	2.3
137.49986	1.5
138.00075	7.5
138.49876	10.7
138.99951	1.3
140.50372	1.5
141.00163	1.7
142.03419	0.7
149.00856	1.2
149.50874	6.5
149.97205	100.0
150.00668	9.1
150.06126	2.0
150.50743	2.5
154.94196	3.3
154.97772	3.5
156.07693	4.2
167.98270	9.5
172.95284	6.5
172.98819	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	155.034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
54.61814	0.5
54.93833	2.1
55.01870	1.9
55.05512	6.7
55.93525	1.8
55.94614	0.9
56.05029	2.3
56.96568	18.0
57.03428	1.6
57.04552	0.6
57.07068	0.5
57.47939	0.5
58.06591	1.0
59.05000	0.6
59.06121	1.7
60.04525	1.1
61.02928	0.8
65.03944	35.8
66.04268	0.8
67.02992	1.9
67.05507	13.2
68.05035	2.8
68.99787	0.7
69.03428	3.4
69.04588	1.4
69.05772	0.5
69.07073	1.0
69.96174	18.5
70.00222	0.6
70.02943	0.5
70.06593	9.1
70.95867	14.0
71.01357	1.0
71.04988	2.3
71.06115	1.2
71.06916	0.5
71.57648	0.9
71.94101	7.7
72.04513	1.0
72.08145	2.3
72.93790	51.7
72.96044	0.6
73.02914	1.4
73.06551	4.7
73.94602	0.6
74.04835	1.1
74.06104	0.9
77.31905	0.5
79.05483	1.3
80.05023	1.0
80.20523	0.5
81.03421	9.4
81.04536	2.1
81.07057	6.7
81.77408	0.4
82.05279	0.6
82.06580	13.6
83.04993	4.6
83.06110	4.1
83.07345	0.5
83.97635	0.6
84.04510	1.6
84.08143	1.5
85.02893	3.7
85.06548	1.0
85.07668	0.9
86.06065	1.6
87.04459	0.7
87.97209	1.5
88.96902	6.7
89.95153	1.4
90.94829	15.0
91.00507	0.6
91.05475	1.4
93.03401	11.1
93.07051	1.1
94.06557	1.2
95.01324	1.0
95.04976	5.8
95.06060	3.0
95.08614	1.9
96.04488	2.2
96.05633	2.1
96.08140	0.8
97.02872	3.8
97.04020	2.1
97.06484	1.1
97.07658	1.5
98.06038	1.2
98.07195	2.4
98.97591	5.8
98.98457	1.5
99.04435	3.0
99.05605	1.3
100.07619	33.2
106.00988	0.7
106.97943	1.1
108.95844	3.6
109.02885	14.8
109.06587	4.3
109.07645	71.0
109.10131	4.4
110.06069	3.3
110.07173	16.6
110.07944	1.4
111.04444	97.7
111.08044	1.2
111.09222	1.4
111.98485	8.1
112.01585	2.2
112.04079	0.6
112.04819	2.2
112.07624	1.2
112.08733	0.6
112.96729	1.1
113.02367	1.2
113.05994	3.9
113.07121	1.0
113.08259	0.5
113.95100	1.8
113.96400	27.9
113.98637	1.5
114.05532	1.1
114.06670	3.4
114.09167	0.9
114.10263	0.6
114.94836	0.7
116.98627	4.1
117.83591	0.6
119.01838	1.7
119.97348	0.6
120.05565	0.6
121.01556	1.5
123.04422	1.4
127.03918	15.1
127.04832	0.5
127.07565	2.7
127.08597	0.5
128.02347	1.3
128.07080	77.4
128.98648	0.9
129.05487	1.1
129.07382	0.8
129.99518	5.9
130.97760	0.7
131.01929	0.8
131.51462	0.6
131.96152	34.7
131.97430	31.5
131.99637	5.6
132.95830	15.4
134.05920	0.7
134.99657	1.8
137.02338	15.9
137.03403	1.1
137.05991	1.7
137.07109	1.5
137.08060	0.7
137.09691	0.6
137.10802	1.4
137.98378	1.1
138.05508	20.1
138.06601	2.5
138.09128	2.0
138.10161	0.7
139.08682	0.6
140.04652	1.3
141.01807	1.5
145.71843	0.5
146.04176	0.9
146.99716	0.7
147.03258	1.3
149.97206	100.0
150.00677	7.0
150.96881	51.1
154.90767	0.9
154.97743	3.4
154.99022	2.2
155.03384	20.2
155.04651	7.1
155.07013	10.5
155.08180	5.5
155.09244	4.0
155.10481	1.2
155.11803	1.8
155.12910	0.8
155.54774	0.7
155.97409	2.8
156.04028	0.8
156.06534	2.1
156.07675	3.0
156.11357	1.2
156.13867	1.4
158.99602	2.7
161.01306	0.6
162.99121	0.6
164.05219	2.4
165.04324	2.5
167.96889	1.0
167.98265	14.4
168.01823	1.5
168.97948	2.5
172.95242	1.0
172.98813	8.3
173.02406	0.6
173.98474	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	153.1275
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
53.03938	0.9
55.01868	0.8
55.05513	3.0
56.96566	0.8
57.03451	0.9
57.07062	0.6
59.04999	1.8
64.35335	0.3
65.03943	6.4
67.01861	0.7
67.05511	5.1
68.05009	0.4
68.99816	0.4
69.03432	1.5
69.04519	0.3
69.07076	3.5
69.88976	2.1
70.06590	0.9
70.94254	3.4
70.95855	1.1
71.04995	6.3
71.06120	0.4
71.94105	4.5
71.95272	0.9
72.04552	0.4
73.06554	3.9
77.98041	0.4
79.05497	6.4
80.05022	0.4
81.07060	18.0
82.07393	0.5
83.04988	2.9
83.08615	0.9
84.04511	0.4
88.95312	0.8
89.95149	0.6
91.05479	2.4
93.03397	2.4
93.07044	10.6
95.04972	100.0
95.08601	3.6
96.05293	2.9
96.97267	0.4
97.02857	0.5
97.06525	3.4
105.07068	0.6
106.97887	0.4
107.04969	1.5
107.08597	9.2
109.06525	1.5
109.07639	0.6
109.10159	4.4
110.03671	1.5
110.07182	0.5
111.04449	12.9
111.08082	4.4
111.09249	0.5
111.96859	1.9
112.04848	0.4
112.08736	1.4
112.96732	1.5
114.65215	0.3
117.07053	0.3
118.26488	0.3
119.01842	0.4
119.08579	0.4
120.94779	0.3
124.55039	0.3
125.05154	0.7
125.05998	7.0
125.09613	0.9
126.05554	0.4
126.09185	0.6
129.97906	1.7
130.97723	1.7
135.04459	1.7
135.05467	0.3
135.08049	1.6
135.11691	5.9
136.03944	0.9
136.07632	0.6
136.08687	0.8
138.03149	0.6
138.06763	0.4
148.97398	0.6
153.01849	1.4
153.05473	5.9
153.06528	0.3
153.09125	4.0
153.10223	0.6
153.11433	1.4
153.12767	6.2
154.04961	1.8
154.08670	0.8
154.09793	0.6
171.02916	0.7
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-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03933	2.3
55.01865	4.8
55.05519	12.9
56.96554	3.9
57.03443	10.3
57.07068	3.5
59.04986	1.3
65.03938	16.0
67.05173	2.2
67.05508	32.9
69.03430	4.7
69.07074	44.0
70.06608	1.4
70.94273	7.8
70.95857	2.5
71.04985	4.2
71.93724	1.7
71.94106	21.3
71.95265	14.0
79.05496	30.8
80.05017	1.3
81.07059	32.5
83.04986	12.4
83.08613	7.1
85.06530	1.6
88.95290	3.6
88.96901	1.8
89.95122	4.0
91.05480	7.9
93.03384	3.8
93.06467	2.6
93.07050	53.5
94.06572	1.6
94.07396	1.8
95.04972	7.2
95.08610	17.8
97.02888	3.0
97.06530	21.2
97.10165	2.0
98.04101	1.3
98.20719	3.0
105.07022	2.7
106.53820	1.2
107.04961	10.1
107.08603	50.9
108.08099	1.6
109.02782	1.4
109.06509	3.7
109.09464	2.1
109.10167	31.1
110.03664	4.3
111.04451	38.1
111.08075	10.8
111.96869	4.0
112.04767	3.1
112.96732	8.5
117.07017	1.8
125.05997	18.4
125.09634	3.4
126.05509	3.0
126.06369	2.7
126.09119	2.3
129.97902	5.1
130.97752	8.9
130.98712	1.6
134.06163	1.6
135.04414	4.7
135.08090	6.0
135.11697	93.7
136.03929	5.6
136.04866	1.3
136.07539	2.5
136.12054	3.2
153.04271	2.6
153.05489	22.1
153.07520	7.5
153.09186	11.3
153.12752	100.0
153.99374	4.1
154.04971	11.2
154.05946	1.1
154.08653	3.0
154.13100	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03948	6.2
55.01867	3.2
55.05511	19.7
56.96560	4.9
57.03418	3.7
57.07066	3.3
59.04996	8.2
65.03947	38.6
67.01855	2.2
67.05508	17.2
68.05025	3.4
68.96329	2.2
68.99787	2.1
69.03423	7.2
69.04542	2.9
69.07069	25.2
70.06590	7.9
70.94258	22.5
70.95875	9.0
71.04995	47.7
71.06090	2.2
71.59808	3.9
71.94102	22.1
71.95267	9.8
73.06557	25.5
79.05502	37.4
81.03415	3.7
81.04543	2.2
81.07063	100.0
82.06599	2.0
82.07384	3.2
83.05000	16.3
83.06123	5.3
83.08605	5.8
84.04525	1.9
85.06549	2.0
85.07682	3.3
88.95313	5.6
88.96894	3.3
89.95146	3.3
91.05485	12.2
93.03406	12.6
93.07056	57.5
94.07358	2.0
95.04971	39.9
95.06077	5.5
95.08608	21.8
97.02911	3.9
97.06536	22.9
105.07053	3.4
107.04953	12.4
107.08601	62.1
108.04491	2.3
108.08105	2.0
108.08863	2.1
109.06487	8.8
109.07648	5.9
109.10162	23.9
110.03660	7.4
110.07175	6.7
111.04452	88.6
111.08091	12.9
111.09217	4.5
111.96883	10.9
112.00414	1.8
112.08741	15.4
112.96729	12.1
113.05866	2.4
119.08590	2.2
121.06367	1.7
125.05988	39.7
125.09653	4.1
125.18013	1.7
126.09172	5.3
126.10217	2.6
129.97902	15.3
130.97757	9.4
134.06049	2.6
135.04437	5.9
135.08107	10.9
135.09006	2.6
135.11703	42.1
136.03944	3.1
136.05060	2.2
136.07581	5.0
136.08691	6.7
148.05620	1.8
148.97409	2.5
152.99576	2.1
153.01863	27.1
153.04320	2.5
153.05498	33.6
153.06567	4.0
153.07564	5.2
153.09116	14.1
153.10220	3.5
153.11363	24.2
153.12753	35.1
153.13928	2.5
153.99310	2.1
154.02206	2.0
154.04993	7.0
154.08620	13.2
154.09818	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	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
54.03471	0.3
55.01880	0.8
55.05514	2.3
56.05034	0.5
56.96560	0.6
57.03429	0.7
57.04552	0.2
57.07078	0.2
58.06602	0.2
59.04996	0.5
59.25647	0.2
65.03944	5.8
66.03451	0.2
67.01855	0.2
67.02985	0.4
67.03352	0.2
67.05507	8.3
68.05034	0.8
68.96336	0.2
68.99796	0.2
69.03438	1.7
69.04552	0.6
69.07062	1.9
70.06599	1.3
70.94259	1.7
70.95863	0.6
71.04996	1.3
71.06137	0.2
71.57655	0.2
71.94100	1.9
71.95258	0.4
72.04516	0.2
72.08151	0.8
73.02916	0.3
73.06543	0.4
79.01843	0.2
79.05499	5.1
80.05022	0.3
81.03418	0.4
81.04544	0.9
81.07062	5.2
82.06577	0.3
82.40476	0.2
83.04985	2.7
83.06110	1.1
83.08631	0.2
84.04501	0.3
84.08133	0.5
85.02912	0.3
85.04025	0.2
85.06512	0.2
85.07655	0.4
88.95306	0.5
88.96938	0.2
89.95113	0.2
91.05478	2.4
93.03411	1.8
93.07052	4.4
94.06572	0.6
94.07409	0.2
95.04974	100.0
95.08603	1.0
96.04648	0.3
96.05269	2.6
96.08128	0.2
97.02912	0.4
97.04057	0.3
97.06537	2.3
97.07652	0.6
97.10158	0.2
98.06078	0.5
98.07209	0.3
99.05640	0.2
105.07045	0.8
107.04959	1.6
107.06068	0.4
107.08601	8.7
108.04493	0.4
108.05612	0.5
108.08154	0.3
108.08916	0.3
109.06521	4.0
109.07637	1.6
109.10149	2.0
109.98969	0.2
110.03671	1.9
110.06074	0.4
110.07166	0.6
110.07884	0.2
111.04449	11.6
111.05639	0.4
111.08082	4.8
111.09190	1.1
111.96872	0.9
111.98460	0.3
112.04945	0.3
112.07618	0.2
112.08755	1.7
112.96722	0.7
113.05875	1.9
113.07157	0.3
115.63729	0.1
117.07006	0.3
119.01843	0.2
119.06127	0.2
119.65388	0.1
121.02885	0.2
124.08707	0.3
125.02409	0.3
125.06002	6.0
125.06975	0.4
125.09645	1.3
126.05569	0.3
126.06545	0.5
126.09172	0.5
126.10159	0.4
129.97891	1.1
130.96303	0.2
130.97749	0.7
135.04434	0.9
135.05421	0.2
135.06586	0.2
135.07037	0.2
135.08069	3.0
135.11694	1.4
136.03925	0.4
136.04967	0.4
136.07643	0.3
136.08698	1.0
137.05972	0.2
137.07085	0.3
137.10733	0.2
138.03122	0.3
139.03928	0.5
148.97383	0.8
153.01852	1.4
153.04306	0.4
153.05502	3.9
153.06580	0.5
153.07700	0.8
153.09129	5.5
153.10150	0.3
153.11377	3.4
153.12755	2.0
154.04988	1.0
154.06142	0.5
154.08607	0.5
154.09760	1.6
154.13338	0.2
166.12979	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	152.0569
Annotation	guanine
Peak:m/z	Relative Intensity
53.03937	0.4
55.01855	0.3
55.02994	0.5
55.05530	0.3
56.05038	0.7
56.96294	0.3
56.96569	4.9
57.03434	0.7
60.05635	0.4
61.02920	0.5
65.03948	1.1
67.05505	0.9
68.05017	1.1
69.03413	0.5
70.06597	2.0
70.94251	0.5
70.98117	0.3
71.01341	0.3
71.04992	0.4
73.02931	0.5
74.06070	0.2
74.97607	0.3
79.05493	1.1
80.05002	0.4
81.03432	0.5
81.04533	0.4
81.07082	0.3
82.04065	0.5
82.06567	0.6
83.00786	0.9
83.04973	0.5
83.06099	0.6
84.04506	1.0
84.08136	0.4
84.96029	0.3
85.02920	0.5
88.95242	0.2
90.01589	0.4
91.00513	0.4
92.01284	0.9
92.04994	0.3
93.03385	0.5
94.06587	0.9
95.04943	0.4
95.06103	0.8
95.07388	0.3
96.04509	0.4
96.08132	1.0
97.02887	0.9
97.06482	0.3
97.07655	1.3
98.01305	0.4
98.97598	1.1
99.04480	0.3
100.02486	0.3
104.01286	0.5
105.02074	0.4
106.06579	0.6
107.03597	0.4
107.04951	2.6
107.06095	0.4
107.08629	0.3
108.04469	0.3
108.08099	0.6
109.02877	0.9
109.05154	1.8
109.07635	2.2
110.03535	8.4
110.06049	2.0
110.07209	0.3
110.97566	0.6
111.00238	0.4
111.04451	3.6
111.05273	0.2
111.05566	0.3
111.07975	0.3
111.09217	1.2
112.06358	0.3
112.09989	0.7
113.01819	0.7
114.02612	0.2
115.02460	0.3
116.07162	0.3
116.98624	1.0
117.03966	0.3
118.03504	0.3
118.99970	0.3
119.01882	1.1
119.51906	0.3
120.00781	0.9
122.06080	0.5
124.03925	0.4
124.07619	0.7
124.08667	0.2
125.05987	1.1
125.07064	0.5
125.10760	0.4
128.02348	0.3
128.03615	0.3
128.04575	5.4
128.42264	0.2
128.98633	1.7
129.97897	0.3
133.03485	0.5
134.04628	1.0
134.06010	1.0
134.07143	0.6
134.99673	0.6
135.03032	9.6
135.04382	1.2
135.08188	0.2
135.09193	1.0
136.01408	0.4
137.02324	0.5
137.51566	0.4
140.04977	0.4
146.99678	2.3
147.05006	0.4
152.05690	100.0
152.07045	21.9
152.11781	1.8
153.04088	31.0
153.06033	1.7
153.11336	0.3
154.02446	0.7
154.04523	0.6
154.61308	0.2
165.00691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03942	2.4
55.01889	5.1
55.05510	9.1
56.96564	2.7
57.03437	6.5
57.07081	1.5
59.04974	1.2
65.03931	2.1
67.05508	58.9
68.05830	0.9
68.95284	2.2
69.03430	9.6
69.07073	5.2
70.77750	3.4
71.04985	2.8
73.02885	1.0
77.03947	0.9
79.05495	37.7
80.05849	1.1
81.03413	2.6
81.07062	58.9
82.07376	1.0
83.04987	18.4
85.06535	2.6
88.73185	0.9
89.06041	1.5
91.05486	55.6
93.07049	42.0
94.07378	1.6
95.04971	18.2
95.08611	18.5
96.08130	1.0
96.08936	1.2
97.06509	2.0
98.97582	1.4
105.07037	75.5
106.07387	1.5
107.04981	1.5
107.08600	100.0
108.08942	3.2
109.06521	23.6
109.10162	41.2
110.01279	1.3
110.10490	1.3
111.04362	0.9
116.48148	2.6
119.01827	1.4
119.06091	1.4
120.32825	0.9
121.02942	1.0
123.04408	2.6
123.08105	8.3
123.11712	11.1
125.48705	1.5
128.02281	1.2
131.08592	4.9
133.10133	79.9
134.06082	1.1
134.10477	3.7
139.53127	1.0
151.02875	2.0
151.03934	5.3
151.07532	6.6
151.11188	91.4
152.01674	2.9
152.03304	1.0
152.07021	4.6
152.11526	3.6
169.61761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03943	1.8
55.01871	4.6
55.05511	10.3
56.12278	0.7
57.03439	4.2
57.07079	2.1
57.65963	0.7
59.20121	0.6
60.19136	0.6
60.92632	0.7
62.57964	0.6
65.03926	3.1
67.05507	54.0
68.05836	1.5
69.03433	8.3
69.07075	5.1
70.86798	2.1
71.05001	2.8
79.05497	34.2
80.05794	1.2
81.03442	0.8
81.07059	56.9
82.07394	1.1
83.04986	16.7
83.08617	1.5
84.05350	0.8
85.06535	2.3
91.05483	54.9
92.05779	0.8
93.07048	39.0
94.07365	1.5
95.04975	16.0
95.08618	14.8
97.06532	2.7
105.07036	78.6
106.06710	0.7
106.07384	2.4
107.04993	1.4
107.08598	100.0
108.08932	3.5
109.06524	21.0
109.10159	39.4
110.10561	1.0
116.48118	0.7
118.07809	0.8
119.06075	0.8
121.10163	0.9
123.04433	1.1
123.08063	5.6
123.11699	11.6
128.02338	1.4
130.52620	0.9
131.08551	3.7
133.10136	81.6
134.10477	4.0
151.03957	2.1
151.11189	84.2
152.01607	1.2
152.07068	2.6
152.11542	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	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
52.21910	0.4
53.03935	1.2
53.69975	0.3
54.02287	0.4
55.01860	1.9
55.05515	3.5
55.72417	0.4
56.05011	0.5
56.96572	3.3
57.03426	1.5
57.07065	1.1
58.09148	0.4
59.04994	1.2
61.02914	1.6
65.03928	1.4
65.25772	0.4
67.05508	9.7
68.05029	2.8
68.95276	1.3
69.03425	1.7
69.04541	0.7
69.07061	2.4
69.38448	4.2
70.06581	0.5
71.04992	0.5
73.02907	1.2
74.97607	0.4
75.35394	0.4
78.90992	0.4
79.05486	5.3
79.23622	0.5
79.24078	0.4
80.04992	0.5
81.03395	1.6
81.07059	19.7
82.06568	1.0
83.04984	1.0
83.06095	1.9
85.02893	1.0
86.39349	0.5
87.04498	0.5
89.06023	0.9
91.05489	7.3
93.04559	0.5
93.07053	9.4
94.07404	0.5
95.04977	5.3
95.08614	9.1
96.04510	0.8
96.08121	0.9
97.02917	0.8
97.06500	1.3
97.07643	1.0
98.97582	1.1
101.00727	0.5
105.03381	0.5
105.07035	11.9
107.01831	0.5
107.04936	1.6
107.06095	0.6
107.08598	7.5
108.02128	1.0
108.05678	1.0
109.06527	13.3
109.07307	0.6
109.07677	1.2
109.10154	11.5
110.01279	1.2
110.06026	0.6
110.07194	5.6
111.05561	0.5
111.07951	12.4
116.48200	2.3
116.53443	0.8
116.98611	1.4
119.01790	2.2
119.04937	1.7
121.02923	0.6
121.06516	0.9
121.10143	2.1
122.07198	0.6
123.04453	2.6
123.08083	8.2
123.11707	5.6
124.03929	0.7
124.07606	1.6
124.08641	2.1
125.48643	0.9
128.02332	3.0
128.98628	0.6
130.52592	0.5
131.08612	0.8
133.06494	0.9
133.10152	6.3
134.06038	1.4
134.07121	1.4
134.99655	0.6
135.09190	0.6
136.05234	0.6
136.08836	2.0
137.02861	1.0
139.53119	0.8
141.05501	1.1
146.99678	0.6
151.02831	0.7
151.03943	10.0
151.05028	1.5
151.07655	7.0
151.09846	7.2
151.11180	100.0
152.01678	1.0
152.03351	1.0
152.07048	3.9
152.08191	1.6
152.11597	4.4
158.01253	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
54.03481	2.4
55.01875	17.0
55.05507	11.1
56.05019	7.7
56.96294	4.0
56.96568	78.3
57.03441	19.3
57.07073	3.8
58.06592	3.0
59.04993	5.1
59.06123	5.8
60.04508	7.3
60.05643	11.0
61.02929	94.2
65.03935	6.8
65.06108	7.1
67.05174	2.8
67.05506	36.2
68.05032	14.1
68.95277	6.4
68.99822	2.0
69.03434	16.0
69.04543	2.2
69.07069	6.4
70.06596	49.5
70.06969	1.9
71.01342	4.9
71.04984	5.0
71.06112	3.3
71.58521	4.7
72.08154	3.4
72.93800	2.1
73.02921	64.2
73.04025	6.1
74.04813	2.2
74.97588	7.4
75.04485	9.4
75.05608	11.4
77.00768	4.1
77.03933	2.5
79.05059	2.7
79.05495	38.5
80.05033	9.6
81.03424	14.3
81.04529	4.1
81.05344	3.1
81.07062	72.7
82.06564	5.5
82.07365	2.1
82.37055	1.9
83.00782	5.7
83.01334	9.1
83.04976	3.8
83.06090	7.5
84.08139	5.1
84.96007	3.6
85.02908	19.0
87.04472	20.0
87.05000	2.5
87.05582	14.4
87.07984	2.2
88.06319	2.6
89.00763	4.0
89.02374	4.2
89.06042	13.2
90.01556	8.0
91.03963	35.7
91.05048	8.8
91.05544	22.7
92.01285	5.9
92.03476	2.2
92.05009	3.1
93.04553	2.7
93.07052	27.1
94.06561	8.1
94.51569	2.5
95.00758	3.5
95.01336	3.7
95.04358	3.3
95.04970	56.7
95.06039	11.2
95.07365	2.7
95.08603	25.9
96.01530	6.3
96.04467	3.4
96.05309	2.8
96.06894	2.0
96.08134	10.2
97.00532	2.3
97.02883	10.4
97.07649	10.1
97.99209	3.8
98.01294	16.4
98.97585	36.7
99.02065	2.8
100.02468	2.8
101.00751	7.7
101.02402	4.9
103.05071	8.8
103.52055	2.1
104.01283	6.2
105.02042	6.3
105.03378	4.3
105.04512	2.6
105.05510	10.6
105.07026	38.9
106.01032	3.5
106.06560	7.5
106.07273	2.1
107.01816	4.3
107.04969	13.5
107.06089	5.8
107.08595	22.7
108.04439	6.1
108.05689	3.0
109.02875	7.1
109.06517	28.8
109.07638	16.0
109.10170	17.6
109.52097	4.8
110.01270	37.3
110.03539	4.3
110.06055	9.5
110.07237	10.6
110.07900	4.2
110.51471	3.2
110.97565	6.1
111.04450	4.8
111.05581	3.0
111.06775	3.0
111.07963	13.4
111.09193	6.7
112.06340	2.1
112.08733	5.7
112.09966	3.5
113.01766	4.8
115.03931	3.9
115.05464	2.0
116.00170	4.3
116.07080	8.5
116.48142	10.9
116.98630	43.0
119.01810	49.5
119.03434	20.8
119.04919	8.9
119.51981	3.3
121.10129	2.7
121.52055	7.2
122.06032	4.2
122.07110	2.9
123.03191	1.9
123.03514	3.3
123.04441	46.8
123.05495	3.1
123.06378	3.2
123.08070	29.4
123.09065	3.8
123.11694	9.6
124.03949	4.8
124.07601	8.1
124.08717	6.6
125.07063	2.9
127.03922	5.0
127.57190	3.9
128.00014	2.1
128.02322	66.5
128.52451	3.4
128.98605	14.5
130.09749	3.8
130.52568	7.9
133.02847	7.1
133.04968	42.0
133.06470	7.6
133.07523	4.1
133.10101	15.8
134.02278	2.2
134.05960	9.4
134.07108	7.2
134.99658	35.5
135.03035	3.1
135.05534	2.5
135.09166	4.5
136.08791	3.4
137.02927	24.3
137.51546	7.9
139.53107	8.5
140.00163	2.5
141.05406	3.0
146.52028	3.5
146.99661	27.0
148.53633	4.6
150.60510	2.5
150.96844	6.6
151.02815	8.7
151.03929	48.4
151.04906	2.6
151.06099	13.4
151.07535	33.2
151.08635	18.1
151.09763	13.9
151.11229	24.3
152.01630	7.7
152.03358	6.3
152.04478	4.1
152.05682	37.1
152.07054	100.0
152.08176	8.4
152.10715	4.5
152.11844	11.3
153.00705	3.1
153.04121	10.6
158.00023	2.0
158.01248	11.9
158.09274	3.3
158.99632	6.4
162.99188	3.1
165.00700	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03944	1.4
55.01859	1.3
55.05507	4.4
56.73066	1.0
57.07071	1.9
65.03944	24.6
67.05492	1.4
69.07056	3.8
69.57085	7.2
79.05491	9.9
81.07054	2.9
91.05476	13.9
93.03413	7.5
93.07043	15.5
95.04993	2.7
103.05481	2.9
105.07037	27.1
107.07867	1.7
107.08596	34.7
108.04461	1.7
108.08880	1.2
109.06537	2.6
109.07635	1.3
110.08355	1.3
111.04475	5.9
113.04935	1.1
119.06116	1.4
119.08567	7.9
120.09426	1.0
121.02873	34.3
121.03974	6.2
121.06508	3.4
121.10149	100.0
122.03200	2.1
122.07135	2.3
122.10457	5.2
123.08075	5.3
131.04935	2.3
131.08563	2.1
133.07616	2.9
133.10117	1.9
141.15887	1.3
149.02350	80.6
149.05986	3.7
149.08305	1.7
149.09627	9.2
149.13257	18.4
150.02704	6.3
150.05522	2.7
150.10233	2.7
167.03484	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0585
Annotation	L-Methionine
Peak:m/z	Relative Intensity
50.91745	0.1
53.03942	0.4
55.01873	0.7
56.05037	100.0
56.96565	1.1
57.03438	1.6
57.04746	0.1
57.05372	1.6
58.06607	0.2
58.99584	0.5
59.05006	0.3
61.01152	55.5
61.02925	3.4
62.01101	0.3
62.01488	0.6
62.06103	0.3
65.03921	0.1
67.05505	0.4
68.02657	0.2
68.05070	0.1
69.01940	0.1
69.03425	0.9
69.96179	0.1
70.06599	0.6
70.98119	0.2
71.01329	0.2
71.05004	0.8
71.45906	0.3
71.94104	0.2
72.04520	0.6
73.02917	2.0
74.02444	6.5
74.06082	7.5
74.97617	0.2
74.99078	0.6
75.02724	0.7
75.04485	0.4
77.00632	0.2
79.05479	0.2
80.52698	0.1
81.03403	1.0
83.00809	0.2
83.01353	0.4
84.04508	2.7
84.08131	0.1
84.52931	0.2
85.01138	0.6
85.02905	3.7
85.53738	0.2
86.52708	0.3
87.02695	12.7
87.04449	0.8
88.02662	0.4
88.07635	0.3
89.04231	0.3
90.05550	0.3
91.02204	0.1
91.03958	1.1
91.05459	0.2
93.01904	0.2
93.53479	0.3
94.06568	0.5
94.51585	0.1
95.04969	15.1
96.04497	0.5
96.05296	0.6
96.53094	0.3
97.02847	0.9
98.52660	0.1
98.97575	0.5
99.04454	0.2
99.53474	0.4
100.00107	0.2
100.02481	1.2
100.05248	0.5
101.00870	0.3
101.02489	0.2
102.02416	0.4
102.05545	23.1
103.03949	0.1
103.05881	0.4
104.05330	73.3
104.52697	0.3
105.00069	1.0
105.03729	1.5
105.04481	0.3
105.05675	1.2
105.07016	0.1
106.04085	0.2
106.54257	0.2
107.53178	0.2
108.04485	0.4
108.54012	0.2
109.02820	0.6
110.01301	0.2
110.06860	0.1
113.01751	0.1
113.53181	0.3
115.02361	0.5
115.04040	0.2
116.98616	0.5
118.01128	0.4
118.03588	0.7
119.01920	1.2
119.03434	0.6
120.03345	0.3
120.53976	0.5
121.51991	0.2
122.06032	41.2
123.04451	1.3
123.06372	1.3
124.02467	0.2
124.03947	0.3
127.04107	0.2
128.02351	0.4
129.54506	0.2
131.01909	0.4
131.96161	0.7
132.06573	0.2
132.10175	0.4
133.03195	49.7
133.04970	2.1
134.03551	1.1
134.99646	0.3
138.54985	0.3
139.04213	0.3
141.02724	0.6
142.03543	1.0
142.96490	0.2
143.03645	0.2
145.03450	0.5
147.55502	0.3
149.97205	1.1
150.02798	0.9
150.05728	10.1
150.07701	5.2
150.09079	0.4
150.11261	0.5
151.03876	0.2
151.04622	0.2
151.06078	0.4
154.03558	0.3
154.97736	0.2
156.05074	0.3
157.03436	0.3
160.04491	0.1
160.97594	0.2
161.02954	0.2
167.98180	0.2
168.06606	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03951	2.4
55.01856	2.6
55.05503	3.7
63.18824	1.1
65.03949	32.3
66.04263	1.6
67.05498	2.4
69.03432	1.4
69.07060	9.1
71.60072	2.1
79.05495	11.4
81.07063	6.4
86.65745	1.2
91.05472	12.5
93.03428	6.6
93.07047	36.4
94.06551	1.3
94.82586	1.2
95.04976	2.9
95.08625	1.9
103.05478	2.8
105.07033	24.2
107.04951	2.3
107.08598	43.3
109.06503	4.4
110.08439	1.8
111.04430	7.7
113.73335	1.1
119.08548	6.9
120.09381	1.4
121.01996	1.8
121.02872	37.2
121.03982	10.0
121.06512	5.3
121.10150	100.0
122.03174	2.8
122.07160	1.5
122.10482	4.6
123.08057	6.6
131.04926	2.8
131.08600	1.4
133.07626	1.7
133.10130	4.0
134.10886	1.5
149.02354	100.0
149.05986	5.6
149.08414	1.9
149.09628	7.0
149.13264	26.0
150.02707	6.3
150.03754	1.5
150.05501	2.1
150.09113	2.1
150.10237	4.4
150.13658	1.4
164.05737	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67265	0.6
55.01864	0.9
55.05489	1.4
57.07070	1.4
63.75904	0.6
65.03943	28.7
66.04273	0.7
67.05504	0.6
69.07063	1.2
69.72163	0.5
71.59792	1.0
79.05475	3.0
81.03441	0.6
81.07067	0.8
89.03915	1.8
91.05475	4.9
93.03405	8.2
93.07041	5.8
95.04980	1.5
98.03664	2.0
103.05482	1.2
105.07035	7.5
107.08598	10.2
108.04433	0.7
109.06533	0.7
111.04451	7.6
117.03397	1.3
119.08601	1.7
121.02869	38.6
121.03967	8.2
121.06496	1.7
121.10148	30.7
121.11028	1.5
122.03220	2.4
122.04272	0.6
122.07154	1.8
122.10474	1.8
123.08070	1.6
123.09051	0.7
131.04878	1.0
133.07634	0.7
133.10149	1.0
147.66461	0.6
149.02350	100.0
149.05959	3.7
149.09625	3.6
149.13246	5.8
150.02698	6.3
150.03752	1.1
150.05470	1.2
150.10226	1.1
167.03445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
53.51262	0.8
54.17758	0.9
55.01860	2.8
55.05509	2.3
65.03602	1.6
65.03941	27.9
67.05531	1.6
68.04988	0.9
69.07058	4.2
70.79604	0.9
71.57584	1.0
79.05500	5.4
81.07066	2.3
85.04063	0.9
91.05483	7.7
93.03407	7.2
93.07042	14.7
95.04957	2.6
98.03640	1.6
103.05447	3.9
105.07047	12.5
107.04961	1.4
107.08601	21.4
108.04476	2.8
109.06539	1.8
109.07639	1.4
110.08414	1.7
111.04463	6.6
119.08588	2.3
121.02869	42.4
121.03955	7.5
121.06493	4.2
121.10148	42.4
121.11032	1.9
122.03237	2.6
122.06026	1.5
122.07133	2.2
122.10457	1.6
123.08087	3.0
126.05479	1.1
131.04909	2.0
133.07637	1.5
139.48882	1.0
149.02347	100.0
149.05885	4.5
149.08311	1.7
149.09616	6.8
149.13254	10.8
150.02721	6.5
150.03764	1.3
150.05518	3.4
150.06630	1.5
150.07907	1.1
150.09167	1.8
150.10263	3.1
167.03409	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
50.82553	0.7
53.03937	1.2
55.01867	1.7
55.05513	1.8
65.03604	1.6
65.03945	27.9
66.04245	0.8
67.05229	0.6
67.05516	7.7
69.07060	3.2
71.37400	0.6
71.59664	1.3
77.91502	0.6
79.05500	9.2
81.07064	19.5
83.08630	0.8
91.05481	4.4
93.03402	8.6
93.07051	15.6
95.05001	1.1
95.08611	3.5
98.03654	1.6
103.05456	1.9
105.03375	4.2
105.07037	2.2
107.04989	1.2
107.08601	13.1
108.04461	1.3
111.04457	6.5
121.02871	42.6
121.03970	8.6
121.06474	1.2
121.10143	4.6
122.03210	2.3
122.05986	0.9
126.05515	1.9
131.04971	0.8
133.69008	0.7
146.14771	0.7
149.02353	100.0
149.05972	3.3
149.07053	1.1
149.09634	4.1
149.13266	15.7
150.02686	6.9
150.03780	2.0
150.05519	2.3
150.09094	1.1
151.22784	0.6
167.03389	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
52.87336	1.0
53.03938	1.3
55.01867	1.3
55.05505	3.6
56.05053	0.8
57.07079	2.2
65.03945	17.5
66.04286	1.2
67.05502	1.9
68.83691	0.8
69.07074	7.7
71.59031	1.7
74.22486	0.9
79.05496	9.6
80.05816	1.2
81.07054	3.6
86.30289	0.8
91.05486	13.7
91.08641	0.9
93.03420	5.3
93.07051	25.7
95.04972	2.9
95.08620	1.0
103.05470	3.4
105.07032	23.5
107.08601	41.5
108.04510	2.0
108.08921	1.5
109.06541	2.0
109.07674	1.0
110.08410	1.0
111.04448	3.9
119.08564	7.5
121.02874	28.5
121.03974	5.3
121.06490	4.2
121.10150	100.0
122.03202	2.2
122.07187	2.2
122.10480	3.8
123.08063	4.0
131.04930	2.3
131.08589	1.4
133.07640	2.9
134.10870	1.4
149.02357	72.3
149.06018	3.8
149.08333	1.6
149.09631	7.7
149.13271	21.3
149.54602	1.1
150.02686	3.7
150.03767	1.1
150.05501	2.3
150.10219	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	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03934	1.6
55.01861	1.8
55.05502	2.4
55.80890	1.0
57.45071	0.8
65.03942	26.4
65.33294	0.8
67.05501	7.2
69.07055	5.2
71.60195	1.8
79.05489	14.5
81.07055	21.6
83.08612	1.3
84.62565	0.9
91.05476	6.8
93.03413	7.7
93.07037	22.1
94.07346	1.3
95.04974	2.7
95.08599	3.7
98.03698	1.7
103.05463	2.4
105.07019	3.5
107.04942	9.1
107.08588	18.0
108.04448	2.1
111.04457	5.6
120.05675	1.1
121.01991	2.2
121.02863	43.8
121.03960	7.7
121.06506	3.1
121.10136	8.6
122.03215	3.1
122.05986	1.8
122.30010	1.0
131.04976	1.2
131.08540	1.6
149.02339	100.0
149.05960	2.7
149.07043	1.3
149.09628	10.7
149.13260	19.0
150.02689	7.2
150.03729	1.5
150.05524	1.6
150.08952	1.0
150.10054	1.3
150.13625	1.4
155.82758	0.9
167.03441	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01863	2.4
55.05510	1.8
56.24032	0.8
63.40664	0.7
65.03944	29.8
66.04269	0.7
67.05499	9.0
69.07066	3.6
71.59405	0.8
71.59810	1.2
74.31865	0.9
79.05498	12.1
81.07060	20.6
82.07394	0.9
83.08623	1.4
91.05485	6.8
93.03407	8.3
93.07045	20.1
94.07384	0.9
95.04960	2.4
95.08617	3.4
98.03659	1.5
103.05454	1.3
104.46349	0.8
105.07015	3.3
107.04974	4.4
107.08600	17.5
108.04482	1.7
110.92286	0.8
111.04440	7.3
121.02869	39.8
121.03975	8.8
121.06493	2.5
121.10145	5.5
121.54765	0.8
122.03216	2.6
122.06033	0.9
122.16801	0.9
131.04942	1.5
149.02350	100.0
149.06030	2.8
149.08447	1.5
149.09607	7.7
149.13266	17.0
150.02667	6.7
150.03734	1.3
150.05508	1.6
167.03439	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.35870	0.8
53.03936	1.1
55.01873	1.8
55.05505	3.4
65.03945	31.2
67.05511	9.0
67.93569	1.0
69.07069	5.3
69.35656	1.5
69.36067	8.1
79.05061	1.4
79.05497	16.0
81.07059	26.6
87.73548	0.9
91.05488	8.7
93.03417	7.3
93.06465	1.7
93.07047	27.5
95.04960	1.9
95.08595	3.1
98.03668	2.1
101.98291	0.8
103.05452	1.3
105.07022	4.0
107.04964	2.1
107.08601	24.0
107.81872	0.9
107.84219	1.1
108.04488	1.1
108.08923	1.1
111.04457	6.8
116.87257	0.9
121.02868	42.0
121.03954	7.2
121.06491	2.5
121.10137	8.3
122.03223	1.0
126.05559	1.2
131.04938	1.4
149.02350	100.0
149.06039	2.9
149.09615	5.3
149.13269	25.6
150.02699	7.5
150.03745	1.4
150.05524	2.7
150.09184	1.1
167.03384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
53.86361	0.6
55.01868	1.6
55.05503	1.8
56.44990	0.8
65.03604	1.6
65.03941	29.5
66.04274	0.9
67.05508	6.2
69.07065	3.6
69.29298	0.7
71.59770	0.9
71.60213	0.8
79.05500	9.5
81.03419	1.1
81.07061	16.8
91.05476	4.9
93.03413	8.6
93.07050	18.7
95.04975	1.2
95.08598	2.4
98.03679	2.1
103.05473	1.6
105.07036	2.0
107.01398	0.8
107.02296	0.7
107.04974	4.5
107.08602	14.9
107.69795	0.7
108.04524	1.1
108.05265	0.7
109.06505	1.0
111.04449	7.3
120.05683	0.9
121.02869	44.2
121.03971	8.0
121.06532	3.2
121.10143	5.6
122.03201	2.8
122.06024	1.3
122.09708	0.8
122.58882	0.7
131.02362	1.0
131.04904	1.6
131.08565	1.2
149.02348	100.0
149.05977	3.3
149.09630	6.0
149.13260	13.1
150.02667	6.8
150.03735	1.4
150.05493	2.2
150.06558	1.0
150.13649	0.8
167.03421	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03935	2.5
55.01859	1.7
55.05514	4.5
56.64967	0.9
58.90149	0.9
65.03944	28.8
67.05511	12.9
69.07076	8.5
70.07399	1.0
71.60037	1.5
79.05492	18.3
81.03423	1.3
81.07059	34.7
83.08617	1.8
91.05481	9.1
93.03402	6.7
93.07050	33.0
94.07377	1.7
95.04955	3.0
95.08636	5.1
98.03661	1.9
103.05468	2.5
105.07048	3.0
107.04974	9.3
107.08599	27.9
108.04463	1.5
111.04451	6.8
113.36213	0.9
118.03586	0.8
119.08601	0.9
120.05722	1.6
120.38543	0.7
121.02872	42.3
121.03980	9.2
121.06493	3.1
121.10140	9.8
122.03185	3.2
122.06003	1.2
122.10516	1.0
131.04944	1.3
149.02351	100.0
149.05978	3.8
149.07053	1.4
149.08380	1.3
149.09634	10.2
149.13258	26.0
150.02695	7.0
150.03740	1.3
150.05553	2.0
150.09116	1.1
150.13646	1.2
167.03444	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03938	2.7
54.03454	1.0
54.60252	0.8
55.01860	3.4
55.05496	3.1
56.05016	1.0
65.03944	27.7
65.67844	0.8
68.23702	0.8
69.03437	4.1
69.07058	2.6
69.62016	0.8
69.82216	3.6
69.82623	1.6
79.05497	14.5
80.05020	1.9
81.04522	1.5
81.07053	2.7
85.04052	0.9
85.89922	0.9
91.05483	35.2
93.03393	8.8
93.07046	27.4
95.04966	5.0
95.06084	2.1
98.03690	2.3
103.05489	8.0
105.07032	30.5
106.07855	1.2
107.04963	1.9
107.08597	12.7
108.04501	2.4
109.06496	4.9
109.07643	4.7
110.08456	4.5
111.04456	6.5
115.05456	4.0
116.06255	13.8
117.06618	1.2
118.70016	0.8
119.08587	6.0
121.02871	40.6
121.03973	8.3
121.06509	16.6
121.10146	34.7
121.11026	1.7
122.03198	2.0
122.06030	1.7
122.07130	4.5
122.10474	2.5
123.08076	5.1
123.09119	2.0
126.05549	1.3
129.07016	4.5
131.02280	0.8
131.04965	3.4
131.08571	22.9
132.08900	1.2
133.06493	1.1
133.07607	1.8
134.07249	2.9
147.08018	2.4
149.02354	100.0
149.05983	4.3
149.08420	3.4
149.09622	87.0
149.13272	3.4
150.02681	6.9
150.03755	1.5
150.05502	4.3
150.06560	1.0
150.10173	10.2
167.03423	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
52.14088	0.3
55.01880	1.2
55.05507	0.9
56.04780	0.5
56.05035	6.1
56.96560	1.6
57.03433	0.9
57.16352	0.4
58.06610	0.8
60.04528	2.1
60.05650	14.1
61.02901	1.0
61.47909	0.3
65.03943	9.5
65.89919	0.3
67.05521	0.3
68.99783	0.7
69.03425	1.1
70.06594	63.4
70.85678	1.2
71.02996	0.7
71.04995	21.5
71.06936	1.6
72.05314	0.7
73.02921	0.7
74.02443	3.3
75.02365	0.7
76.04049	0.4
83.05001	0.8
84.04507	100.0
84.08145	6.9
85.02901	4.6
85.04284	0.7
85.04837	7.9
85.06531	0.7
85.07918	1.0
85.08469	11.7
86.08824	0.4
86.52695	0.7
87.05599	0.8
88.04002	1.0
88.07630	5.6
91.05479	0.7
92.05017	1.6
92.05840	0.6
93.03408	3.0
93.07073	0.9
95.53236	1.1
100.02484	1.8
100.07627	0.4
101.02353	0.6
102.03394	2.1
102.05544	20.3
102.09183	1.2
103.03921	1.1
103.05931	0.7
105.03362	0.5
105.53468	0.6
107.02848	0.4
109.06577	0.6
111.04479	2.6
112.08746	4.1
118.03529	1.4
119.01944	0.5
120.04471	2.6
120.06562	0.5
121.02865	13.0
121.03970	2.3
121.06503	1.4
121.10162	0.4
123.54478	0.5
130.02930	3.4
130.04053	0.7
130.05002	11.1
130.06509	0.7
130.09766	39.8
131.05392	3.0
131.08955	2.3
131.10112	1.3
148.03934	24.3
148.06032	2.6
148.09677	0.8
148.10783	6.1
149.02348	35.6
149.04294	2.0
149.05940	0.9
149.09613	1.1
166.23358	0.4
167.03462	0.7
169.03462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0395
Annotation	Indole-5,6-quinone
Peak:m/z	Relative Intensity
50.01611	0.2
50.44258	0.2
51.02385	0.9
52.01912	0.3
53.03956	0.2
53.36881	0.2
54.03449	0.2
55.01878	0.4
55.05508	0.5
56.05030	1.3
56.96571	2.5
57.03444	0.4
59.06120	0.2
60.04523	0.7
60.05648	1.0
65.03944	10.8
66.04272	0.3
67.05502	0.6
69.03423	0.3
70.02930	0.2
70.06597	4.9
70.69199	0.5
70.69549	0.2
71.04996	2.1
72.04529	0.3
73.02924	0.2
73.54017	0.2
74.00134	0.2
74.02453	0.2
74.06100	0.4
75.02374	3.3
76.01907	0.5
78.03460	1.1
80.05013	0.2
81.07021	0.2
83.04983	0.4
84.04508	25.5
84.08138	0.8
85.02907	0.9
85.04065	0.3
85.04829	1.5
85.06531	0.4
85.08477	1.5
86.09702	2.8
87.05582	0.2
88.01813	0.3
88.03994	0.4
88.07638	1.0
88.80796	0.3
91.05498	0.7
92.05006	4.9
92.05830	0.6
93.03406	3.7
93.07050	0.8
94.06573	0.3
95.04965	0.3
95.10783	0.2
97.02339	0.2
97.99163	0.2
98.03680	0.5
102.03434	9.5
102.05544	5.3
103.03893	0.7
103.05466	0.6
105.04533	0.2
106.02910	0.2
107.06065	0.3
107.08580	0.2
108.06877	0.5
111.02072	0.3
111.03818	0.3
111.04462	1.6
119.00189	0.3
120.04478	8.9
120.05268	0.8
120.08123	0.2
121.02876	8.8
121.03965	1.3
121.04735	0.3
121.06475	1.0
121.07630	0.6
121.10140	0.2
122.52907	0.3
124.04637	0.3
130.02895	12.3
130.03996	4.1
130.04999	3.3
130.06555	0.4
130.09776	3.5
131.03271	0.5
131.05179	0.6
131.09029	0.4
133.05223	0.4
142.98666	0.3
148.03935	100.0
148.08476	1.2
149.02354	19.9
149.04210	4.5
149.05963	0.7
149.07083	0.5
149.09641	0.6
166.04974	0.3
167.03426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.5
52.14088	0.3
55.01880	1.2
55.05507	0.9
56.04780	0.5
56.05035	6.1
56.96560	1.6
57.03433	0.9
57.16352	0.4
58.06610	0.8
60.04528	2.1
60.05650	14.1
61.02901	1.0
61.47909	0.3
65.03943	9.5
65.89919	0.3
67.05521	0.3
68.99783	0.7
69.03425	1.1
70.06594	63.4
70.85678	1.2
71.02996	0.7
71.04995	21.5
71.06936	1.6
72.05314	0.7
73.02921	0.7
74.02443	3.3
75.02365	0.7
76.04049	0.4
83.05001	0.8
84.04507	100.0
84.08145	6.9
85.02901	4.6
85.04284	0.7
85.04837	7.9
85.06531	0.7
85.07918	1.0
85.08469	11.7
86.08824	0.4
86.52695	0.7
87.05599	0.8
88.04002	1.0
88.07630	5.6
91.05479	0.7
92.05017	1.6
92.05840	0.6
93.03408	3.0
93.07073	0.9
95.53236	1.1
100.02484	1.8
100.07627	0.4
101.02353	0.6
102.03394	2.1
102.05544	20.3
102.09183	1.2
103.03921	1.1
103.05931	0.7
105.03362	0.5
105.53468	0.6
107.02848	0.4
109.06577	0.6
111.04479	2.6
112.08746	4.1
118.03529	1.4
119.01944	0.5
120.04471	2.6
120.06562	0.5
121.02865	13.0
121.03970	2.3
121.06503	1.4
121.10162	0.4
123.54478	0.5
130.02930	3.4
130.04053	0.7
130.05002	11.1
130.06509	0.7
130.09766	39.8
131.05392	3.0
131.08955	2.3
131.10112	1.3
148.03934	24.3
148.06032	2.6
148.09677	0.8
148.10783	6.1
149.02348	35.6
149.04294	2.0
149.05940	0.9
149.09613	1.1
166.23358	0.4
167.03462	0.7
169.03462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0394
Annotation	Isatin
Peak:m/z	Relative Intensity
51.02374	1.5
53.77260	0.5
56.05024	1.4
56.96569	2.8
57.68225	0.4
58.20802	0.5
60.04533	0.9
60.05408	0.4
60.05655	5.6
61.16100	0.5
62.57680	0.5
63.39541	0.5
65.03653	0.6
65.03945	8.2
67.05502	0.6
68.04064	0.5
69.64050	3.3
70.02951	0.9
70.06596	28.6
71.04999	8.9
71.06053	0.4
71.06907	0.5
72.04512	0.6
74.02444	0.5
75.02360	3.6
78.03430	1.0
80.59164	0.4
84.04509	17.8
84.08147	1.7
85.02908	1.1
85.04840	1.4
85.06556	1.2
85.08484	2.9
85.76035	0.5
86.09715	0.8
88.07622	2.3
92.05010	3.7
93.03403	3.4
93.07024	0.7
102.03437	8.6
102.05543	3.8
102.09196	0.5
103.03890	0.5
106.96603	0.5
111.03793	0.8
111.04471	1.0
112.08728	1.6
120.04481	8.5
120.05289	1.3
121.02879	5.0
121.03783	0.8
121.06508	0.7
130.02892	12.2
130.04001	4.0
130.05003	2.9
130.09769	18.2
131.10143	0.7
148.03937	100.0
148.10823	2.3
149.01161	0.6
149.02353	11.7
149.04242	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	148.0393
Annotation	Isatin
Peak:m/z	Relative Intensity
50.73371	0.2
51.02385	1.3
53.03940	0.3
55.19391	0.2
61.26576	0.3
65.03942	6.8
71.32248	0.6
75.02370	3.0
76.01886	0.5
78.03457	1.5
84.04512	3.3
85.04840	0.3
91.05474	0.3
92.05006	4.2
92.05873	0.3
93.03407	2.6
93.06962	0.2
102.03429	9.2
102.05521	0.7
103.03849	0.4
106.02941	0.3
111.04415	0.7
120.04473	7.3
120.05284	0.5
121.02859	3.5
121.03931	0.6
121.04773	0.3
130.02884	13.0
130.03990	4.2
130.04973	0.4
130.09734	0.3
131.03267	0.3
148.03928	100.0
149.02362	9.8
149.04259	4.6
149.05473	0.4
149.06023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05496	0.8
56.05026	1.4
56.34127	0.7
56.96573	0.7
64.45531	0.7
65.03942	7.2
69.90845	0.7
69.99109	4.0
70.06602	2.2
71.04995	2.0
79.60674	0.8
84.04510	15.0
84.08141	4.4
91.05484	86.4
92.05819	3.1
95.04964	1.1
98.21460	0.9
102.05542	1.6
103.05441	1.0
105.07030	4.5
117.07005	1.0
119.04948	100.0
119.08578	5.9
120.04525	1.2
120.05264	4.8
123.96436	2.5
130.02930	1.0
130.05011	6.9
130.09737	1.5
147.04419	62.3
147.05426	2.6
147.08035	2.8
147.09171	2.7
147.11707	4.4
148.03821	4.3
148.04915	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0765
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
51.13534	0.5
55.81204	0.5
56.05037	3.8
60.05647	0.7
69.79304	1.8
69.79717	1.2
70.06594	2.3
71.04990	0.7
71.79101	0.4
84.04509	100.0
84.08147	24.4
85.02892	1.4
85.04845	1.9
88.04814	0.6
91.05531	0.5
98.21501	0.5
101.07115	3.6
102.05558	7.3
109.38751	0.5
116.32188	0.4
119.04928	0.5
130.05006	35.8
130.08656	4.3
130.09766	1.9
147.06488	0.6
147.07597	1.1
148.03951	3.0
148.06070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84086	5.5
54.83978	5.0
70.17657	17.2
70.18048	11.8
84.39552	6.8
96.73699	5.3
96.83354	5.1
101.00890	17.0
102.02271	5.5
119.01923	100.0
121.15636	5.5
123.21679	6.3
132.40215	6.3
133.98073	6.0
137.02917	44.8
137.50012	17.2
142.03522	39.0
145.48882	9.3
149.00819	7.3
160.04568	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	146.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00043	4.9
60.05647	46.7
64.92807	46.6
66.22222	4.3
70.70847	4.2
71.58691	9.2
79.03007	5.6
86.06081	23.2
87.04473	35.6
91.05473	22.0
100.07592	9.9
105.04508	6.2
106.04008	6.4
111.05531	5.1
111.07935	8.6
118.06550	12.8
119.04927	29.0
119.06058	7.9
120.05609	7.6
121.96674	8.0
123.95586	6.8
123.96464	100.0
128.08160	9.9
146.04825	9.1
146.05960	12.3
146.07053	7.6
146.08148	6.4
146.09224	10.5
146.98032	35.9
147.04379	13.1
147.05534	11.4
147.06641	14.6
147.07864	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	140.0707
Annotation	Gabaculine
Peak:m/z	Relative Intensity
53.03956	15.1
54.03468	10.3
55.01868	3.1
55.72959	1.3
56.03780	2.7
56.04788	1.8
56.05036	31.1
56.96567	24.9
57.04550	3.4
57.93560	2.7
58.02951	4.2
58.06591	4.3
59.06128	11.6
60.04526	3.5
65.03934	3.9
66.04263	4.6
66.74432	1.6
67.02960	2.9
67.05508	32.7
68.05039	7.2
69.03418	2.3
69.04539	2.9
69.07063	5.7
70.06583	6.0
70.17644	3.6
70.18058	4.7
71.06129	9.3
71.95242	4.2
72.04507	3.5
72.08160	2.5
80.05013	2.7
81.03411	6.1
81.04539	13.9
82.02937	5.3
82.06570	3.0
83.06108	18.7
84.04507	9.8
84.08144	9.4
85.07655	4.7
92.94964	1.3
93.05787	10.2
94.06571	41.9
95.04983	41.2
95.06071	14.4
95.08617	1.8
96.04487	5.0
96.05627	21.4
97.02867	3.7
97.04064	1.4
97.06405	7.1
97.07645	4.3
98.06146	1.6
98.06609	2.8
98.07190	38.7
98.20820	1.9
98.97587	57.1
99.05586	25.2
100.03992	2.0
100.06367	2.6
105.04518	6.6
109.02886	2.3
111.09180	2.8
112.04044	2.7
112.04733	7.7
112.07607	18.7
112.08745	2.5
113.02342	3.0
113.06072	2.2
113.07127	18.3
116.97246	6.7
116.98625	64.3
122.06026	100.0
122.07117	16.4
123.04563	2.5
123.05556	37.5
123.06378	5.0
123.09180	2.7
125.02356	8.3
126.17393	1.6
134.99663	67.5
140.00172	2.8
140.03435	4.9
140.04652	5.4
140.07051	75.1
140.08188	67.7
140.11835	4.4
141.01843	4.2
141.05423	4.8
141.06583	8.0
141.07542	1.8
145.59856	1.4
153.00713	12.8
158.01286	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	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03944	0.4
56.05035	0.3
56.96297	0.3
56.96566	5.0
57.03423	0.3
64.70004	0.2
65.03941	2.3
66.03464	0.2
67.05486	0.8
67.24767	0.2
69.03419	0.3
70.06576	0.2
70.64240	0.3
70.64570	0.3
71.04993	0.3
80.04983	0.2
81.03408	0.4
82.06590	0.4
84.08101	0.2
85.02889	0.4
92.04454	0.3
92.04994	2.1
93.03393	0.8
93.05768	0.4
94.06565	12.4
95.04962	0.4
95.06892	0.5
96.04491	2.3
97.02881	0.2
97.06516	0.2
97.07655	0.3
97.96793	0.5
98.97576	0.7
98.98466	0.3
100.02489	0.4
100.05219	0.3
103.02474	0.2
105.02081	0.2
110.06039	9.9
111.04437	3.8
111.05576	0.9
111.06343	0.4
115.86069	0.1
115.97902	0.2
116.00215	0.2
119.01849	0.2
121.02877	0.2
121.07625	0.2
126.02566	0.2
133.03439	0.2
138.05498	100.0
139.04041	1.0
139.04936	0.2
139.05846	3.9
139.07475	0.2
140.90822	0.2
154.04961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
54.03470	0.4
55.05491	0.4
56.05037	1.5
56.96568	3.3
60.04510	0.3
62.08328	0.2
65.03944	35.7
66.04266	1.3
67.04908	0.3
67.05488	0.3
69.03415	0.3
70.06602	0.3
71.06120	0.3
71.25033	0.5
71.25382	0.4
71.95262	0.3
72.23199	0.3
77.99268	0.3
81.04526	0.6
83.05000	0.5
83.06088	1.0
84.04528	0.5
88.00220	0.3
88.55523	0.3
93.03410	21.4
93.07061	0.5
94.03725	0.9
95.04986	0.9
95.06080	0.8
96.05608	0.5
97.01645	0.3
97.06476	0.3
98.07216	1.5
98.97585	5.6
98.98226	0.4
98.98489	0.3
99.05569	0.9
99.07976	0.3
111.04445	100.0
112.04771	4.2
112.08743	0.6
113.07108	0.5
116.97249	0.6
116.98624	5.4
121.02856	2.2
121.03972	0.5
122.07140	0.8
123.05569	0.8
134.06013	0.5
134.99675	4.0
139.03911	12.9
139.07458	0.4
139.09785	1.9
139.11198	0.5
139.12213	0.4
140.03329	0.4
140.08173	2.4
141.06737	0.3
153.00725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
54.03474	0.4
55.01871	0.4
55.05518	0.4
56.05039	1.5
56.96568	4.1
57.93558	0.3
59.06104	0.5
65.03944	34.1
66.04278	0.7
67.05469	0.3
68.05044	0.6
68.71308	0.3
69.07069	0.4
70.06601	0.6
71.06785	0.8
74.92400	0.3
81.04526	0.4
83.04981	0.7
83.06104	1.2
85.07642	0.4
93.03411	18.6
93.07039	0.7
94.03758	0.4
95.04971	1.3
95.06040	0.6
96.05634	1.0
97.06492	0.4
97.07667	0.4
98.07183	1.9
98.97584	5.2
98.98486	0.6
99.05602	0.6
104.60025	0.3
111.04446	100.0
112.04768	3.2
112.08721	0.4
113.07123	0.9
116.94478	0.3
116.97284	0.5
116.98620	6.1
121.02882	0.7
121.03983	0.4
122.06229	0.3
122.07159	1.3
123.05528	1.0
133.71144	0.3
134.06009	0.7
134.99670	4.8
139.03914	14.1
139.04907	0.5
139.08821	0.3
139.09785	1.7
139.12242	0.7
140.04399	0.4
140.08186	2.6
149.66830	0.3
153.00723	0.5
158.01340	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64280	0.9
54.03465	3.0
55.05515	1.0
56.05036	11.3
56.96567	30.1
57.93565	1.6
58.02956	1.5
58.06604	1.0
59.06121	3.3
61.66364	0.7
67.02979	1.4
67.05513	1.2
68.05030	2.6
69.04576	1.3
69.08447	0.8
70.06601	0.9
71.06116	2.4
71.38920	1.6
71.95296	4.1
72.04514	1.9
81.04542	3.7
82.02951	1.9
82.05322	1.5
82.06600	0.8
83.04956	1.0
83.06110	5.5
84.04504	3.7
92.98139	0.9
95.06071	6.4
96.04520	1.4
96.05643	4.7
97.06443	1.5
97.07671	1.1
98.07161	4.3
98.97586	90.1
99.05589	6.7
99.97936	1.1
100.02502	2.0
100.06377	1.3
103.02455	2.7
111.04424	2.8
112.03945	0.9
113.07111	4.0
116.05791	3.4
116.97251	5.6
116.98622	100.0
117.99024	1.0
118.03510	2.2
121.03494	1.5
122.07130	3.9
123.05556	6.8
134.99663	71.2
135.03105	3.7
136.00056	2.2
139.98798	1.0
140.00191	4.1
140.03419	1.3
140.07175	1.7
140.08192	15.1
141.01805	2.0
141.06621	1.3
153.00716	14.6
158.01285	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	137.1326
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03945	3.1
53.61331	0.9
55.01863	1.2
55.05499	3.2
56.03771	1.0
56.05029	2.2
57.07075	16.9
59.94108	1.0
65.03951	1.6
66.04734	2.4
67.05165	2.0
67.05501	24.4
68.05042	1.8
68.05817	1.2
69.04549	2.2
69.07074	7.3
70.06639	1.1
70.85915	3.2
72.04505	3.7
79.05505	9.1
80.05000	1.1
81.03414	3.8
81.04528	3.5
81.07060	58.6
82.06573	2.9
82.07381	1.8
83.06120	1.1
91.05490	11.3
93.07047	11.4
94.02936	1.2
94.04195	17.2
94.06573	1.2
95.04958	4.6
95.06100	2.5
95.08610	100.0
96.04462	2.2
96.05605	2.5
96.08935	4.5
97.06407	8.7
97.07656	2.4
98.04778	1.7
107.04913	2.6
107.08574	1.5
109.02908	1.5
109.06502	5.2
109.07629	1.2
109.10159	15.2
110.06041	3.0
110.07186	8.3
110.09674	2.8
111.05552	2.8
119.04962	3.0
119.08598	2.0
120.04462	4.0
120.05521	2.2
121.06536	2.7
121.07650	1.8
122.03650	25.7
122.07262	8.0
123.03971	1.6
123.06799	3.0
127.03899	1.7
137.02377	14.4
137.03438	2.1
137.05983	65.0
137.08113	6.5
137.09619	19.4
137.10712	2.5
137.13263	26.9
138.01768	3.2
138.05487	9.5
138.06540	9.2
138.09113	4.2
138.10237	3.8
138.13588	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	137.1326
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03942	2.2
54.03461	1.8
55.05519	5.5
56.05027	1.6
57.06825	0.9
57.07079	10.6
62.43574	0.8
65.03934	1.9
67.05509	25.7
68.05020	2.6
69.03448	1.0
69.04545	2.5
69.07077	6.4
69.96315	4.4
70.02973	1.0
71.08638	0.8
71.47374	0.7
72.04507	2.9
79.05495	7.7
80.05038	1.5
81.03434	1.5
81.04548	7.4
81.07062	67.5
82.06583	3.2
82.07398	1.8
83.06099	2.8
83.08635	1.2
91.05488	6.6
92.05776	0.7
93.07045	9.4
94.04203	6.5
94.06547	2.1
95.04996	3.7
95.06080	2.1
95.08612	100.0
96.04522	1.1
96.05620	2.5
96.06886	1.8
96.08942	3.8
97.04031	1.2
97.06405	11.2
97.07658	2.2
98.04801	2.1
98.21442	1.1
104.89130	0.7
107.08614	0.8
108.64158	0.8
109.06526	4.6
109.07606	1.1
109.10159	10.5
110.06054	1.9
110.07190	8.3
110.09692	1.2
111.05585	5.5
111.09200	1.2
119.05013	0.9
120.04485	2.4
120.05558	1.9
121.06503	2.3
121.07633	2.2
122.03668	9.4
122.07278	1.9
123.06799	3.7
137.02414	8.1
137.03462	1.4
137.05988	31.6
137.07051	1.8
137.08188	9.4
137.09613	8.2
137.10712	2.1
137.13261	22.5
138.01755	1.6
138.02713	0.9
138.05504	7.7
138.06589	9.5
138.09137	4.8
138.10272	6.7
138.13615	1.1
153.63474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
54.03451	0.5
55.01873	0.8
55.05509	1.2
57.07078	0.8
62.60322	0.4
65.03943	0.6
67.05511	21.1
67.05876	1.1
68.99831	0.4
69.03431	1.0
69.04551	0.5
69.07065	1.4
69.92877	2.7
74.07098	0.4
79.05503	3.2
80.05019	0.5
81.03417	1.0
81.04543	1.6
81.07066	14.4
82.06601	0.6
85.89772	0.4
91.05490	9.3
91.06071	0.5
93.07068	4.2
94.04206	2.0
94.07853	1.1
95.04981	2.4
95.08616	10.4
96.05611	0.6
97.06409	1.6
98.04829	0.6
98.20744	0.5
103.05488	1.2
103.83812	0.5
104.06264	0.8
107.04964	13.3
107.08608	1.0
109.02927	0.7
109.06539	1.8
109.10165	30.0
110.05995	0.6
110.07200	3.3
110.09738	0.5
110.10487	1.2
111.00735	0.5
111.05580	0.6
117.07021	1.1
119.08592	14.7
120.08964	0.5
121.06532	6.6
122.03693	2.8
122.07298	75.0
123.06857	0.6
123.07614	2.1
126.32612	0.4
127.03963	0.5
135.08064	3.1
137.02388	4.2
137.03436	1.1
137.06021	6.8
137.09630	100.0
138.05583	1.1
138.06660	1.3
138.09073	0.9
138.10030	4.0
140.87474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
52.69728	1.2
53.03947	2.7
54.03472	2.3
55.01854	1.6
55.05503	4.9
56.03765	1.8
56.05037	2.4
57.07076	14.0
60.17312	1.1
65.03939	2.0
66.04712	2.6
67.05511	25.4
68.05025	2.5
69.04545	4.5
69.07047	5.2
70.03663	2.4
70.04076	4.0
72.04527	3.7
75.62650	1.5
79.05492	8.8
80.05016	1.4
81.03419	5.6
81.04541	6.1
81.07063	55.5
82.06591	3.8
82.07394	1.8
83.06095	4.2
91.05477	9.2
92.26432	1.0
93.04562	1.2
93.07051	11.2
94.04191	16.0
94.06536	2.7
95.05016	2.4
95.06108	2.2
95.08612	100.0
96.05596	3.5
96.08952	2.9
97.04091	1.5
97.06408	12.6
97.07667	4.2
98.04799	3.6
107.04948	3.3
109.06512	5.0
109.10156	13.6
110.06051	2.8
110.07191	9.5
110.07828	1.5
110.09672	2.5
111.05579	5.1
111.09230	1.5
119.04966	1.4
119.08630	1.4
120.04433	1.6
120.05556	2.2
121.04017	1.4
121.06479	2.4
121.07618	2.5
122.03658	29.1
122.07313	7.8
123.03923	1.7
123.06799	2.8
123.07643	1.3
127.03909	1.6
137.02390	13.3
137.03502	3.1
137.05988	66.2
137.07001	2.2
137.08133	9.5
137.09648	15.0
137.10667	1.6
137.13261	25.2
138.01747	3.3
138.05490	8.4
138.06561	14.0
138.09116	4.6
138.10226	6.7
138.13626	1.7
147.62862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.39270	0.8
55.01869	1.1
55.05527	1.1
56.75863	0.9
61.59180	0.9
65.03931	1.2
67.05511	20.2
69.07056	2.0
70.72497	0.8
71.11805	2.8
79.05494	3.6
80.52827	1.1
81.07062	8.8
81.61880	1.0
91.05476	8.5
93.07051	2.3
94.04183	1.5
94.07825	1.1
95.04971	2.4
95.08611	8.2
96.05654	1.2
97.06385	1.1
103.05522	1.6
107.04961	13.8
107.08583	1.3
107.28476	0.9
109.10166	28.5
110.07188	1.4
117.07021	2.3
119.08588	16.0
120.08848	1.2
121.06494	6.2
122.03648	2.3
122.07293	75.8
123.07621	2.8
135.08055	2.7
137.02356	1.6
137.06032	6.6
137.09622	100.0
138.05527	1.3
138.09981	3.4
139.93201	0.9
144.61507	1.1
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
62.99724	1.1
64.38385	1.1
66.04713	2.5
67.05500	5.2
70.35265	3.9
70.35699	2.3
79.05493	4.0
81.07057	14.6
82.83705	1.6
91.05481	2.1
94.04195	24.9
95.05001	1.8
95.08617	12.1
105.03328	1.1
107.04995	1.4
109.06542	3.4
110.06047	1.3
113.55202	1.2
122.03659	46.8
123.03957	1.6
137.02464	2.3
137.05988	100.0
137.09622	1.9
137.13184	1.8
138.06345	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02367	0.6
53.03934	1.1
55.01863	0.8
55.05477	0.6
57.07069	1.0
58.01854	0.5
59.06143	0.5
65.03945	1.0
66.04724	2.4
67.05508	3.2
69.07070	0.8
69.44154	1.4
69.44569	3.2
72.04517	0.8
79.05482	3.4
80.04977	0.6
81.03419	1.4
81.04549	1.3
81.07061	9.5
82.06599	0.7
82.37566	0.5
88.30038	0.5
90.96764	0.9
91.05470	4.3
93.07035	1.9
94.04195	23.5
95.04981	2.2
95.08612	8.6
96.04525	0.5
96.05626	0.6
97.06419	3.6
98.04818	0.6
107.04955	1.9
109.06538	1.4
109.10153	2.0
110.06051	0.6
110.07170	2.8
111.05623	0.6
116.34426	0.5
120.04477	0.5
120.05517	0.6
120.59386	0.5
121.07658	0.6
122.03655	44.1
122.07269	1.0
123.03979	1.9
135.04407	0.6
137.02505	3.6
137.05984	100.0
137.09615	2.7
137.13217	1.4
138.01767	0.8
138.05455	1.6
138.06403	5.0
138.09152	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.48067	0.9
53.03931	3.6
55.05512	2.6
56.03771	0.9
57.07070	2.6
65.03935	1.9
67.05172	1.9
67.05507	27.4
69.03426	1.8
69.04552	1.8
69.07069	3.6
69.78880	6.6
72.04515	1.6
77.03896	1.0
79.05493	5.7
81.03423	3.3
81.04525	3.2
81.07059	32.8
82.06577	2.1
82.07420	1.1
83.06103	1.2
91.05475	11.1
93.07050	9.5
94.04182	9.8
94.06562	1.3
95.04965	4.4
95.06094	1.5
95.08607	36.1
96.05645	1.7
97.06398	7.6
97.07675	2.1
98.04790	2.4
98.20760	1.5
105.07045	1.0
107.04953	11.2
107.08588	2.1
109.02902	1.1
109.06519	5.4
109.10155	33.1
109.63024	0.9
110.06025	1.9
110.07183	7.5
111.05575	3.0
119.04936	0.9
119.08595	13.0
120.04514	1.4
120.05596	1.5
121.06496	6.7
122.03660	17.2
122.07293	64.4
123.06802	1.6
123.07623	1.5
127.03883	1.9
135.08055	1.2
137.02383	13.2
137.03508	3.5
137.05977	43.2
137.08253	6.5
137.09621	100.0
137.13246	4.4
138.01764	1.6
138.05486	4.5
138.06572	7.0
138.09102	1.9
138.10048	4.4
150.97841	1.1
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
53.03943	0.9
55.01877	0.7
55.05505	0.5
55.50225	0.3
57.06802	0.3
57.07075	0.8
58.11708	0.3
65.03942	1.0
65.68122	0.3
66.04727	2.3
67.05499	3.0
68.05042	0.7
69.03433	0.5
69.04540	0.6
69.07062	0.7
70.75656	0.8
72.04532	0.5
79.05490	3.7
81.03424	1.3
81.04534	1.0
81.07055	8.7
81.07520	0.6
82.06572	0.4
83.06083	0.4
91.05485	4.4
93.07059	1.0
94.04189	23.2
95.04453	0.5
95.05014	1.7
95.08611	8.9
96.05608	0.5
97.06387	2.5
97.07683	0.4
98.04840	0.5
100.29343	0.4
105.03398	0.4
107.04943	1.5
109.06531	1.7
109.10152	1.7
110.06057	0.8
110.07176	1.9
111.05546	0.5
119.04983	0.4
119.08552	0.6
120.04465	0.6
121.02892	0.4
121.06428	0.4
122.03650	42.4
122.07298	1.0
123.03961	1.6
123.06789	0.5
127.03905	0.4
137.02492	3.9
137.05977	100.0
137.09584	2.6
137.13251	1.2
138.01761	0.5
138.05450	1.9
138.06387	4.4
138.09142	1.2
138.10165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02370	0.4
53.03945	0.7
55.01875	0.4
64.07929	0.3
65.03947	1.0
66.04721	2.9
67.05499	0.5
70.98032	0.5
79.05490	2.8
81.03423	0.5
81.07063	2.2
84.48320	0.3
91.05479	2.7
94.04189	25.7
95.05027	0.5
95.08627	0.6
105.03427	0.3
105.04540	0.3
107.04953	1.2
109.06510	0.9
111.04420	0.2
119.04920	0.2
122.03649	44.9
123.03971	1.9
135.04395	0.6
137.05977	100.0
138.05402	0.6
138.06339	5.4
138.09210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	m-Methylbenzoate
Peak:m/z	Relative Intensity
53.03941	1.2
54.03466	0.9
55.01870	0.6
55.05489	1.1
57.07066	1.6
61.79891	0.4
65.03944	3.5
66.04724	2.2
67.05176	0.6
67.05508	9.1
68.05011	1.4
69.04542	1.8
69.07068	1.7
71.59920	0.9
72.04506	1.4
74.45621	0.4
77.03917	0.5
79.02990	0.4
79.05506	4.3
80.05020	0.6
81.03425	0.8
81.04564	3.5
81.07060	16.7
82.06573	1.5
83.06081	0.6
91.05482	42.3
92.05826	2.1
93.04572	0.4
93.07030	3.1
94.04191	22.0
94.06557	1.2
95.04456	0.5
95.04977	2.6
95.06102	1.2
95.08607	16.1
96.05603	1.2
97.04008	0.5
97.06394	3.7
97.07662	1.1
98.04800	0.6
107.04971	2.3
107.08657	0.8
109.06520	6.0
109.10156	7.4
110.06052	0.9
110.07198	4.4
111.05576	1.9
115.42744	0.5
119.04943	16.3
119.08601	0.7
120.04501	0.8
120.05485	1.0
121.02868	1.0
121.06493	1.8
122.03649	34.8
122.07277	4.5
123.03961	1.2
123.06820	1.2
127.03931	0.6
135.04449	0.5
137.02512	4.2
137.05980	100.0
137.09615	10.0
137.10658	0.8
137.13228	2.6
138.01791	1.0
138.05478	5.2
138.06445	5.6
138.09116	1.9
138.10211	1.7
158.63495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
53.03954	2.9
54.03460	2.2
55.01872	1.4
55.05514	1.1
56.96553	0.7
57.07075	1.2
65.03941	4.1
67.02992	0.7
67.05515	8.9
68.05030	14.1
69.03423	0.8
69.04549	1.3
69.07060	1.0
69.94745	1.8
69.95160	2.2
71.01347	0.6
79.05502	3.8
80.05013	5.0
80.05807	1.3
81.03427	8.1
81.04539	5.8
81.07059	14.3
82.06596	2.2
83.06101	2.0
90.98697	0.6
91.05485	31.9
92.01287	0.8
92.04987	3.2
92.05829	1.7
93.05805	2.1
93.07039	4.4
94.04192	11.4
94.06577	1.4
94.07378	1.4
95.04984	10.8
95.06084	6.8
95.08612	11.7
96.04518	0.6
96.05630	0.8
96.06879	9.2
97.06408	5.5
107.04938	2.6
107.08596	2.2
108.04485	7.1
108.05691	0.6
108.08126	5.3
108.08928	3.3
109.01104	3.2
109.02863	3.4
109.06530	8.6
109.07643	11.1
109.10152	5.4
110.06044	1.0
110.07180	6.7
111.04418	0.9
117.05753	1.1
118.06541	2.0
119.03568	0.9
119.04952	7.2
119.06080	2.0
119.07342	1.0
119.08547	0.7
122.03649	5.9
122.07293	2.6
127.03896	1.8
134.06007	2.7
135.06808	1.0
136.02173	52.1
136.03777	6.1
136.05077	2.7
136.06219	10.5
136.07603	100.0
136.08679	17.4
136.12108	1.3
137.02362	15.4
137.03470	3.6
137.04410	1.0
137.04855	1.2
137.05984	24.6
137.06929	0.9
137.08086	8.1
137.09637	6.7
137.10664	1.0
137.13229	1.8
141.48445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85146	0.4
53.00290	0.5
53.03948	5.8
54.03456	0.4
55.01876	6.3
55.05509	2.0
56.05039	0.5
56.96569	3.8
57.03438	1.0
57.07070	1.7
57.44643	0.5
63.02706	0.4
63.94911	0.4
65.00614	0.5
65.03942	1.0
66.04709	0.8
67.05506	6.0
68.05031	1.2
68.99795	1.8
69.04549	1.4
69.07076	1.2
70.06592	1.2
70.36829	1.7
71.01353	3.6
71.05005	0.8
71.06107	0.4
72.04515	0.5
79.05501	3.3
80.05046	0.9
81.03421	33.3
81.04514	4.8
81.07059	19.0
82.03767	0.6
82.06597	1.8
83.06110	1.7
85.02919	0.6
91.05488	6.4
92.05859	0.6
93.07050	5.2
94.04183	5.2
94.06569	1.1
95.04974	1.7
95.06109	1.0
95.08609	17.9
96.04500	0.8
96.05625	1.5
96.08172	0.6
96.08915	0.5
97.06393	3.7
97.07667	0.8
98.04847	1.0
98.97596	1.0
107.01299	5.2
107.04946	0.8
109.02881	9.8
109.06509	3.2
109.07652	0.6
109.10162	1.2
110.06052	2.5
110.07170	4.1
110.09654	0.5
111.04469	0.6
111.05584	1.8
113.02384	0.5
115.97876	0.6
119.04969	2.0
120.03825	0.7
120.04599	0.7
120.05605	2.0
121.07613	0.6
122.03648	8.0
122.07321	0.7
125.02332	0.6
127.03922	18.7
137.02357	100.0
137.03468	33.3
137.06000	21.1
137.08116	5.6
137.09593	2.2
137.10742	2.4
137.13252	3.2
138.01773	0.8
138.02699	3.1
138.03758	0.9
138.05508	6.9
138.06593	3.4
138.09174	1.1
138.10225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	2'-Aminoacetophenone
Peak:m/z	Relative Intensity
53.03945	2.7
54.03460	1.9
55.01865	1.9
55.05511	1.1
57.07069	1.0
58.28755	0.4
65.03947	2.5
66.04712	1.1
67.05509	3.6
68.05032	6.9
68.99810	0.7
69.04564	1.1
69.07055	1.3
71.08681	0.5
71.57365	0.5
71.57791	0.5
79.05493	3.8
80.05023	5.1
81.02985	0.6
81.03427	6.8
81.04536	4.9
81.07056	13.5
82.06586	1.2
83.06094	0.8
91.05486	28.9
92.05004	0.8
92.05797	1.3
93.05794	1.2
93.07036	4.9
94.02936	0.8
94.04190	14.1
94.06595	1.2
95.04971	14.7
95.06065	5.5
95.08607	9.1
96.04491	0.5
96.05664	0.9
96.06875	6.6
97.06401	3.7
105.04484	0.7
107.01293	0.6
107.04946	2.4
108.04474	3.9
108.05250	1.5
108.08141	3.2
108.08765	0.6
109.01093	3.4
109.02874	3.3
109.04010	0.5
109.06539	3.9
109.07649	8.9
109.10165	1.6
110.06026	0.9
110.07181	4.5
118.06551	1.8
119.03590	1.2
119.04949	16.0
119.06042	1.2
119.07336	0.7
119.08550	0.6
120.05266	0.7
121.04784	0.5
121.43608	0.4
122.03650	20.5
122.07264	0.8
126.05506	0.9
127.03912	1.9
134.06036	0.9
136.02174	56.2
136.03821	9.4
136.05003	3.1
136.06215	17.1
136.07584	100.0
136.08670	13.0
136.11179	1.7
137.02370	15.2
137.05980	61.2
137.08089	7.9
137.09631	1.8
137.10768	1.7
137.13254	2.0
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
51.22300	0.2
53.03941	0.7
54.03461	0.2
55.01857	0.6
55.05511	1.2
56.96564	0.4
62.19485	0.2
64.42841	0.2
65.00629	0.5
66.74555	0.1
67.03004	0.3
67.05495	0.3
68.05024	0.6
68.99784	0.4
70.07185	0.1
71.01340	0.6
71.57179	0.4
79.05502	0.2
81.03415	5.1
81.04562	0.2
81.07050	1.0
82.04093	0.2
83.00764	0.6
91.05476	0.9
92.01289	0.7
92.02509	0.3
93.07040	0.4
94.04070	2.7
95.06086	0.4
95.08620	0.6
96.06877	0.4
97.06411	0.3
104.01263	0.2
107.01311	1.0
109.01105	0.3
109.02880	1.8
109.05129	0.4
109.06492	0.3
109.07652	0.8
110.07183	0.3
111.53300	0.2
112.05090	0.3
113.01819	0.4
119.03554	5.8
119.05231	0.3
120.66316	0.2
122.03635	0.7
127.03914	2.7
131.01822	0.3
131.42622	0.2
136.02179	4.1
136.06184	100.0
137.02342	17.6
137.03455	5.5
137.04576	7.2
137.05888	2.1
137.06586	1.7
137.08119	0.3
137.09599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03937	2.2
55.01860	1.8
55.05504	3.8
65.03926	1.4
67.05511	20.7
68.05041	1.6
69.03449	0.8
69.07064	3.2
71.59676	1.0
74.00734	1.1
77.03934	1.1
79.05499	31.4
80.05039	1.2
81.07064	13.9
91.05487	16.1
93.07055	40.0
94.06573	1.0
94.07333	1.5
95.04984	5.2
105.04553	1.0
105.07040	5.6
106.32837	1.2
107.04951	4.5
107.08603	34.8
108.04497	1.7
108.08131	2.7
108.08879	1.1
109.01128	5.3
109.06534	2.0
115.05457	1.6
115.40388	0.9
117.06983	1.7
119.03561	1.1
119.06094	1.0
119.08599	4.3
135.04434	6.4
135.05537	3.0
135.06615	2.9
135.08066	12.4
135.09023	1.6
135.10680	2.1
135.11705	40.9
136.02173	100.0
136.03925	4.7
136.05133	2.1
136.06186	23.7
136.07555	6.0
136.08537	2.0
136.12093	1.3
153.47096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	2.5
54.03485	1.3
55.01880	1.7
55.05514	7.0
57.96871	1.1
65.03941	2.6
67.05509	2.3
68.05037	7.1
69.07056	2.3
70.95281	2.6
79.05498	19.6
81.07063	1.9
82.04747	1.0
87.05614	2.3
87.46549	1.0
87.47110	1.0
91.05486	40.1
92.01285	1.3
92.05824	1.4
93.05797	1.7
93.07052	36.1
94.61288	1.1
95.04991	6.1
95.06097	2.6
96.06868	4.5
103.05493	1.4
105.04521	1.1
105.07034	18.2
106.07333	1.9
107.04960	6.4
107.08603	100.0
108.08157	2.0
108.08931	4.2
109.01107	2.6
109.06542	8.1
109.07661	3.3
115.05473	3.3
117.07030	5.5
119.06064	2.6
119.08588	20.9
120.09368	3.6
133.10144	2.8
135.04462	10.1
135.05466	2.0
135.06575	1.8
135.08066	23.1
135.09033	0.8
135.10693	2.0
135.11703	41.5
136.02176	50.8
136.03825	2.1
136.05130	2.3
136.06165	9.4
136.07590	3.2
136.08670	8.0
136.12070	1.3
137.09618	3.2
144.29317	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03947	2.5
54.39297	1.1
55.01876	9.4
55.05498	1.9
61.74168	1.1
65.03937	4.4
67.05517	5.4
68.04986	1.7
69.03435	8.7
70.04410	5.8
79.05496	33.2
80.05820	2.0
81.07046	1.3
91.05489	56.1
92.05785	1.5
92.06295	1.4
93.05801	1.4
93.07050	13.9
95.04994	6.6
99.58648	1.1
105.04548	1.1
105.07035	22.2
107.04955	9.0
107.08601	52.5
108.04495	1.7
108.08171	1.3
108.08927	2.8
109.01102	4.2
109.06525	12.8
109.07638	1.2
110.06803	1.0
115.05472	16.2
117.07020	14.6
118.07334	1.8
119.06071	3.8
119.08589	2.1
121.01516	1.4
135.04517	7.0
135.05530	2.9
135.06567	2.6
135.08060	48.8
135.09106	2.6
135.11668	6.4
136.02170	100.0
136.03932	4.8
136.05072	3.0
136.06189	29.6
136.07547	4.8
136.08487	2.9
136.11267	1.4
143.48936	1.0
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	o-Cymol
Peak:m/z	Relative Intensity
53.03946	4.6
55.01863	2.7
55.05521	8.1
64.98311	1.3
65.03928	5.1
66.52425	1.2
67.05508	46.3
69.07079	9.1
69.82824	1.2
70.69226	2.8
75.19147	1.4
76.64172	1.4
78.38676	1.2
79.05495	58.1
80.05018	1.9
80.05833	1.6
81.07058	25.9
90.56462	1.2
91.05482	26.2
93.07048	89.4
94.07368	2.9
95.04977	7.6
105.04521	1.8
105.07004	7.0
107.04966	9.3
107.08599	61.9
108.08154	2.5
108.08892	3.1
109.01107	7.1
109.06539	2.7
115.05450	1.3
117.06959	2.6
119.08596	4.1
120.09268	1.4
133.10081	1.8
135.04431	7.9
135.05536	4.0
135.06570	2.8
135.08078	17.7
135.11697	78.5
136.02168	100.0
136.03928	5.2
136.05136	2.5
136.06186	24.9
136.07484	7.6
136.12032	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03955	7.0
55.01878	2.0
55.05517	13.2
56.96562	1.7
58.00894	1.0
65.03937	1.6
67.05514	7.8
68.05019	3.8
69.07059	4.7
69.59460	2.2
69.59877	6.3
79.05066	2.0
79.05502	36.9
79.05962	1.9
81.07079	7.8
87.56722	1.1
91.05491	44.0
93.07050	73.9
94.07376	2.8
95.04972	11.5
95.06083	1.6
96.06870	2.5
105.04552	2.3
105.07029	14.9
107.04967	10.0
107.08599	99.2
108.08159	1.8
108.08919	2.6
109.01106	4.0
109.06511	5.2
115.05501	2.6
117.07016	2.6
119.06069	3.1
119.08585	10.2
120.09312	2.1
121.01536	2.1
130.71622	1.2
132.27225	1.1
133.10043	1.6
135.04422	9.2
135.05530	3.5
135.06615	3.7
135.08067	28.0
135.09087	1.0
135.10680	2.3
135.11702	47.5
136.02174	100.0
136.03915	3.8
136.05125	2.6
136.06174	19.3
136.07751	7.7
136.08699	5.8
136.12067	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	135.0806
Annotation	Isochavicol
Peak:m/z	Relative Intensity
53.03939	1.0
55.01862	1.5
55.05499	1.2
56.96556	0.5
65.03940	2.5
67.05518	2.6
68.05030	4.0
69.03411	1.0
69.07063	0.7
70.99402	0.6
70.99704	0.4
73.10418	0.4
79.05494	11.8
80.04994	0.6
81.03426	0.4
81.07053	0.6
87.05592	0.7
89.03917	0.5
91.05484	27.1
92.05778	0.8
92.06284	1.2
93.04539	0.7
93.06467	0.7
93.07046	10.7
94.07362	0.4
95.04975	4.6
95.06090	1.6
96.06873	3.2
105.04525	0.6
105.07037	8.6
107.04968	2.3
107.08597	16.2
108.08216	0.4
108.08918	0.9
109.01112	0.9
109.06523	4.3
109.07630	2.5
115.05461	5.6
117.07052	1.9
118.65633	0.4
119.06055	1.8
119.08583	2.1
120.05679	0.5
120.09379	0.5
135.04510	4.4
135.08057	100.0
135.11673	5.2
136.02170	21.0
136.03937	1.5
136.05109	0.8
136.06160	4.1
136.07507	1.1
136.08455	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
54.31243	2.4
55.01868	5.9
56.96573	13.0
57.03440	68.7
58.99868	3.9
59.06121	3.0
59.52207	2.5
60.04524	6.8
61.02936	5.0
65.52198	2.5
68.02646	4.0
69.03439	18.2
70.01412	5.4
70.01842	9.8
71.04984	3.2
72.52956	11.9
73.02924	20.0
74.52699	4.2
75.05600	6.7
77.00892	5.3
77.52165	4.6
78.52962	16.3
79.05480	3.9
79.51945	3.1
81.03410	11.5
81.53492	7.9
82.01458	11.6
84.52969	2.5
85.02914	7.3
85.53741	6.2
86.52705	77.8
86.53212	5.7
87.02790	13.9
87.05600	13.6
87.52544	2.9
87.53482	7.9
88.02689	23.6
88.52818	4.0
91.05436	3.7
92.52700	5.2
93.01875	5.0
93.07064	3.5
93.53490	11.9
94.52433	2.9
94.54262	2.9
95.53224	57.3
96.03284	13.8
97.03209	5.4
98.03490	9.5
98.21410	4.0
99.53459	14.1
100.02490	49.9
101.00918	18.3
101.02568	7.2
102.00941	3.5
102.02391	13.0
102.52531	5.1
103.02448	4.3
105.00410	2.7
107.04017	4.7
107.04993	3.3
107.08607	4.4
107.53186	3.6
108.54004	7.3
111.02942	26.1
111.53516	19.5
112.02843	3.1
113.00861	5.4
113.53210	5.7
115.02419	4.9
116.98687	4.6
118.03548	36.6
119.01930	92.0
119.03635	9.8
120.01978	11.9
120.03331	8.0
120.53988	8.0
121.01664	10.2
121.02864	8.9
122.53737	10.5
123.03996	3.3
124.02460	10.7
125.02578	2.8
126.21305	2.5
127.03851	3.6
128.01955	3.7
129.04041	3.7
131.01906	40.9
131.54222	3.9
132.01999	5.0
133.03488	8.4
134.06047	3.8
134.07167	5.3
134.99706	6.8
135.04419	2.9
136.04602	3.5
137.02953	22.7
138.03040	3.3
138.04034	3.3
139.02577	2.6
141.05095	3.0
142.03506	100.0
143.01920	5.4
143.03621	13.5
144.03262	5.7
145.03468	9.5
147.01376	4.4
147.05057	4.4
149.02991	9.0
154.03481	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.96124	0.4
55.05503	1.1
65.03958	0.5
69.64597	3.1
79.05485	3.6
88.43383	0.4
91.05487	11.2
91.25579	0.4
92.05791	0.8
93.07059	3.3
94.07351	0.4
95.04967	0.9
103.05453	1.7
105.07036	35.4
106.07373	1.3
107.08638	0.6
115.05453	4.3
116.06252	0.7
117.07028	4.6
118.07809	5.3
131.08574	5.6
133.10138	100.0
134.10471	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	3.0
55.01873	1.4
55.05510	1.8
58.05352	3.5
65.03928	1.0
69.66460	4.4
71.01354	0.8
73.02909	1.3
74.02448	2.6
74.06085	1.0
75.05605	1.3
77.03925	0.8
79.05501	13.3
85.04018	1.6
87.04463	1.0
87.05597	2.1
88.07664	0.8
91.04981	0.9
91.05502	14.5
93.07052	3.8
95.04979	2.9
97.02950	1.0
103.05487	6.5
105.07041	62.4
106.06686	0.9
106.07384	3.1
107.06084	1.2
107.08583	1.3
115.05467	5.2
117.07030	4.7
118.07789	7.3
123.08070	1.9
131.08598	7.0
133.02870	1.3
133.04999	3.3
133.06514	32.7
133.10144	100.0
134.06036	1.8
134.07054	2.9
134.10483	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	0.7
55.05508	2.0
64.14350	0.5
67.05515	0.7
70.61665	1.0
70.62048	1.2
79.05495	4.0
91.05482	14.5
93.07045	4.8
95.04995	1.4
103.05471	2.7
105.07034	50.8
106.07359	2.8
107.08580	1.3
115.05476	4.0
116.06232	1.2
117.07035	5.5
118.07832	5.3
131.08594	6.4
133.10135	100.0
134.06093	0.7
134.10468	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.05508	1.3
56.96564	0.8
57.70668	0.5
58.05338	0.8
66.04259	0.4
67.05504	0.9
69.76031	2.5
69.76456	1.2
72.02159	0.5
74.02432	1.1
75.69101	0.5
79.05482	4.8
91.05490	13.8
93.07050	4.2
95.04964	1.1
98.21458	0.6
103.05466	2.4
105.07034	39.3
106.07376	1.8
107.08619	1.0
111.04366	0.5
115.05463	4.1
115.68336	0.5
116.06241	0.7
117.07027	4.4
118.07831	5.2
131.08569	5.5
133.02834	0.7
133.04836	2.1
133.06505	3.7
133.10135	100.0
134.06035	1.3
134.07150	0.7
134.10480	5.1
148.67165	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96124	0.4
55.05503	1.1
65.03958	0.5
69.64597	3.1
79.05485	3.6
88.43383	0.4
91.05487	11.2
91.25579	0.4
92.05791	0.8
93.07059	3.3
94.07351	0.4
95.04967	0.9
103.05453	1.7
105.07036	35.4
106.07373	1.3
107.08638	0.6
115.05453	4.3
116.06252	0.7
117.07028	4.6
118.07809	5.3
131.08574	5.6
133.10138	100.0
134.10471	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	133.0608
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
51.55990	0.5
53.03948	1.8
54.04279	0.9
55.01868	3.2
56.05031	2.2
57.03431	2.1
58.06597	0.8
58.60578	0.5
58.99586	1.5
59.04991	1.3
60.04513	0.5
61.01152	10.8
61.02951	0.5
69.03433	1.1
70.02948	4.7
70.06595	54.7
70.69041	1.2
71.01353	2.2
71.04996	1.5
71.06922	1.0
72.00353	0.5
72.08170	0.6
73.02918	10.2
74.02443	100.0
74.06075	5.8
75.02743	1.1
75.05611	1.6
77.00628	0.9
78.04279	0.8
79.05476	0.7
83.01343	2.9
85.01119	0.9
85.02905	1.8
87.02695	15.4
87.04475	5.1
87.05594	28.6
87.10048	0.5
88.02232	0.8
88.03995	26.4
88.07626	1.4
91.05487	1.3
92.54572	0.5
95.04974	1.2
96.05308	2.2
96.12007	0.5
98.06029	1.3
105.00134	0.6
105.05309	4.0
105.07032	5.4
111.02892	0.6
115.03959	0.8
115.08703	1.9
116.03447	9.5
116.07082	14.9
119.01928	1.1
133.03160	5.1
133.04816	49.6
133.06126	3.5
133.10110	2.6
134.04478	1.1
134.06100	1.1
134.07121	0.8
134.11790	1.2
146.67065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03957	0.6
55.05526	1.1
57.08278	0.4
59.68588	0.4
59.68889	0.4
65.03949	1.2
70.17989	1.8
78.04691	0.6
79.05479	2.1
88.02194	0.6
91.05484	100.0
92.05814	4.0
93.07011	0.6
103.05460	1.6
104.06258	14.5
105.07046	23.5
106.07365	1.1
117.06996	0.7
126.56507	0.5
131.08548	1.6
133.06493	1.5
133.07573	1.0
133.10135	20.5
134.06001	2.2
134.10437	1.3
146.89610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03945	1.5
55.01880	0.6
55.05510	1.4
56.96577	0.4
57.22683	0.4
58.05342	1.2
70.06593	1.0
70.73131	1.3
73.02919	0.8
74.02447	1.0
74.06069	0.7
75.05587	0.4
79.05497	4.7
85.04040	1.2
87.04490	0.4
87.05589	0.9
87.38521	0.4
87.63290	0.4
88.02199	0.5
91.05488	15.2
92.05777	0.4
92.06306	0.4
93.07040	4.4
95.04990	1.5
103.05483	3.2
105.03424	0.4
105.07037	49.9
106.07374	2.0
107.06118	0.6
107.08607	1.2
115.05459	5.1
116.06239	1.1
117.07024	5.6
118.07823	6.5
127.18263	0.4
129.07043	0.6
131.08574	8.5
132.08875	0.4
133.02858	1.6
133.04849	1.7
133.06561	4.9
133.10139	100.0
134.06009	1.2
134.07085	1.1
134.09560	0.5
134.10484	5.9
145.80873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01599	0.2
51.02373	0.5
53.03952	3.1
57.78109	0.2
58.05336	0.2
69.92876	1.2
72.04532	0.2
73.02905	0.2
75.05605	0.2
77.03931	1.3
78.03487	0.2
79.40417	0.2
81.03395	0.3
87.05601	0.2
95.04978	6.1
96.04501	2.2
104.04999	10.6
105.03395	0.8
105.04510	1.1
105.05271	0.4
105.07024	0.3
129.08885	0.2
132.04462	100.0
133.04805	3.7
147.98991	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	133.0497
Annotation	Succinic acid methyl ester
Peak:m/z	Relative Intensity
53.03956	4.5
54.04281	0.6
55.01876	13.0
55.05514	0.6
56.05036	3.1
56.05847	0.5
56.96556	1.6
57.03439	6.9
58.06598	1.3
58.99593	4.1
59.05009	6.2
59.96730	0.9
61.01155	25.4
61.02929	2.3
66.01006	0.5
69.03433	5.6
70.02947	1.7
70.06597	100.0
70.22263	2.6
71.01361	9.5
71.05005	5.8
71.06107	0.6
71.06926	2.5
72.00381	0.8
72.04550	0.7
72.08141	0.7
73.02924	44.0
73.06538	0.7
74.02445	49.3
74.06078	8.5
74.99090	1.4
75.02724	1.3
75.05598	1.2
76.07664	0.7
77.00626	1.3
77.03905	0.8
79.05497	1.3
80.16019	0.6
80.38132	0.5
83.01348	17.5
85.01146	2.5
85.02911	5.1
86.06087	0.9
87.02699	37.5
87.04474	22.9
87.05598	13.3
87.60624	0.5
88.02217	1.7
88.03996	18.6
88.04809	1.0
88.07636	2.2
89.02385	3.2
91.02211	0.9
91.05501	3.4
93.07079	0.9
95.04971	1.9
95.53243	0.7
96.02425	0.7
96.05302	1.6
97.02879	2.8
97.07664	0.7
98.02390	0.9
98.06065	1.4
99.53512	0.6
100.02502	0.8
100.03345	0.6
101.00843	0.6
103.03300	0.9
103.03912	3.3
104.05035	1.0
105.00095	1.8
105.03805	1.4
105.05299	4.2
105.07037	13.8
106.06583	0.7
115.03937	4.7
115.05489	0.9
115.08708	6.0
116.03454	4.6
116.07100	26.0
116.12029	0.6
118.03537	0.9
118.32464	0.5
119.01923	2.6
131.08565	0.9
133.03331	11.3
133.04868	62.1
133.06371	5.0
133.07591	1.4
133.10164	7.3
134.05208	1.0
134.06064	1.5
134.07132	1.2
134.08156	1.2
134.11757	3.9
137.02980	1.2
142.03500	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	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02375	0.6
53.03953	3.9
55.01858	0.5
65.90087	0.2
70.34756	1.0
71.93590	0.2
77.03927	1.8
78.03451	0.5
81.03419	0.3
84.62181	0.2
86.09711	5.1
90.14359	0.2
95.04365	0.4
95.04969	7.0
96.04510	2.2
96.05077	0.3
96.05366	0.4
104.05000	11.1
105.03383	0.6
105.04530	1.6
105.05192	0.4
132.04460	100.0
133.04814	4.5
145.87439	0.2
154.56796	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01592	0.2
51.02378	0.4
53.03947	3.1
55.01870	0.2
71.32976	0.4
71.33327	0.2
73.26868	0.2
77.03925	1.3
79.58430	0.2
81.03407	0.4
87.05586	0.3
92.30608	0.2
94.85567	0.2
95.04968	5.6
96.04482	1.7
104.04994	13.6
105.03396	0.7
105.04520	1.1
105.05309	0.4
105.07015	0.2
132.04453	100.0
133.04799	3.4
145.12320	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	132.0445
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.01578	0.3
50.49088	0.2
50.62281	0.2
50.75594	0.2
51.02382	0.7
52.01501	0.2
53.03949	3.0
55.01860	0.3
56.05021	0.3
56.96533	0.2
57.03425	0.6
69.03407	0.4
70.06596	0.3
71.59533	0.4
77.03934	1.6
77.45734	0.2
79.05488	0.3
81.03426	0.4
84.04498	0.4
85.04021	0.3
86.06040	0.6
86.09702	1.5
87.05587	1.0
90.05559	0.2
91.05479	1.0
95.04971	6.6
96.04496	1.6
103.05503	0.4
104.05000	11.1
104.05775	0.9
105.03383	0.8
105.04527	1.1
105.05209	0.3
105.07040	3.2
109.06512	0.2
114.05573	0.3
118.07816	0.3
131.08647	0.3
132.04459	100.0
133.02946	0.5
133.03856	0.3
133.04803	4.0
133.06418	1.5
133.07411	0.3
133.10129	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	130.0977
Annotation	4-Guanidinobutanal
Peak:m/z	Relative Intensity
56.05034	1.6
57.03434	0.4
60.05654	5.8
60.50656	0.3
62.56419	0.3
69.03436	3.7
69.07076	0.6
70.06596	100.0
70.78259	0.7
71.04996	9.7
71.06926	2.5
72.08157	0.7
73.49206	0.3
82.06621	0.3
84.04510	22.2
84.08147	20.3
85.02918	0.7
85.04848	0.5
85.06540	0.4
85.08490	0.9
88.07644	0.9
112.07623	12.9
112.08748	10.8
113.07931	0.4
113.09089	0.4
130.04994	3.0
130.08678	6.5
130.09792	7.5
130.12332	0.8
131.10164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0977
Annotation	4-Guanidinobutanal
Peak:m/z	Relative Intensity
55.05520	0.1
56.05035	0.9
56.96552	0.3
57.03430	0.2
59.04995	0.1
60.05648	5.0
61.02936	0.1
67.05498	0.3
68.05032	0.3
69.03429	0.6
70.06591	100.0
70.94238	0.1
70.94594	0.2
71.04990	9.7
71.06293	0.3
71.06920	2.3
71.07290	0.2
72.05323	0.3
72.08154	0.5
73.11600	0.1
77.35395	0.1
83.94835	0.1
84.04505	5.3
84.08141	28.4
85.02900	0.2
85.04803	0.2
85.07914	0.2
85.08468	0.9
86.09730	0.2
88.07628	0.9
89.07944	0.1
92.01301	0.1
100.02467	0.1
112.07607	1.7
112.08727	11.7
113.08398	0.1
113.09064	0.4
116.98607	0.2
119.01872	0.2
130.05000	0.6
130.08621	7.5
130.09740	7.1
130.10611	0.2
130.12289	0.7
131.01982	0.1
131.09012	0.2
131.10094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03953	6.7
55.01872	0.5
56.05053	0.2
67.05509	2.0
69.82484	0.2
69.82703	0.4
69.83109	0.9
77.03940	1.4
80.05016	0.3
81.03424	0.7
81.07052	0.6
83.06126	0.3
95.04977	100.0
96.04518	0.4
96.05306	1.9
100.02507	0.3
105.04512	2.7
108.53665	0.3
118.03538	0.4
118.06535	0.2
123.04440	28.2
123.11758	0.3
124.03950	0.4
124.04778	0.9
124.08708	0.3
138.73286	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	128.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58331	0.6
53.03941	0.7
55.01873	0.8
55.05508	3.3
56.05035	4.3
57.04563	0.9
58.06602	28.0
59.06125	8.9
59.06942	0.7
60.04510	2.4
60.05635	1.1
62.69017	0.7
68.05021	2.4
69.03421	1.7
69.04546	2.5
69.07076	1.6
70.06595	63.8
70.53604	0.7
70.53959	2.5
71.04990	1.8
71.06953	1.2
71.07347	0.6
72.04520	0.7
72.08151	2.8
82.06587	3.6
83.04977	0.9
83.06113	4.2
83.08610	2.3
84.04504	1.4
84.08157	7.3
85.04012	3.2
85.07671	11.0
86.03567	0.9
86.06071	29.1
86.07194	4.9
86.09703	2.9
87.05598	1.4
87.06388	0.8
87.09234	2.6
88.07622	1.0
94.06559	1.4
96.06870	1.3
97.07674	0.8
98.07184	2.5
100.07629	2.6
100.08739	5.8
102.15693	0.6
110.06050	1.3
110.07195	3.2
111.04462	1.0
111.05563	7.1
111.09206	100.0
112.09544	1.6
127.52736	0.6
128.03423	1.5
128.04260	9.6
128.06294	1.1
128.07098	5.3
128.08208	19.8
128.10884	1.2
128.11842	19.9
128.14380	2.8
129.01845	8.1
129.05481	1.1
129.10252	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16631	0.8
58.85544	0.8
58.99848	1.2
61.18446	0.8
70.80868	1.3
70.81207	1.4
77.00868	0.9
82.01443	13.2
90.19295	0.8
95.04971	4.0
100.02480	100.0
101.00875	2.9
101.02564	7.2
118.03522	71.1
119.01917	38.8
119.03632	6.9
123.04105	3.1
136.62616	0.8
137.02957	23.1
141.05067	2.9
142.03477	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	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02379	0.6
53.03949	9.2
54.04300	0.3
55.01854	0.7
65.03941	0.3
65.50420	0.3
67.05508	2.6
70.98806	0.5
70.99123	0.5
77.03924	1.6
81.03419	0.9
82.54678	0.3
91.92157	0.2
95.04971	100.0
96.05312	2.0
105.04512	3.4
110.93453	0.3
123.04430	29.0
124.04719	0.5
124.08720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	1.8
59.06128	6.2
59.08993	0.7
64.25858	0.6
65.03935	2.2
65.07768	0.5
70.41577	2.3
74.06055	1.0
77.03526	1.8
77.32682	0.7
78.04698	1.1
79.05505	5.5
87.05587	0.7
91.05486	67.3
92.05831	2.1
93.07036	3.5
94.00888	0.6
95.04970	2.7
96.05375	0.6
96.23260	0.6
96.85187	0.6
101.24458	0.6
103.05485	7.1
104.06259	7.4
109.06487	0.6
115.05471	3.2
117.07017	16.6
118.07359	0.9
119.06097	1.7
119.08588	100.0
120.04426	0.9
120.05576	1.9
120.08924	4.1
121.06520	0.8
134.04338	0.6
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
51.02385	0.6
53.00315	0.4
53.03947	6.8
55.01865	0.9
56.83748	0.4
56.96546	0.6
57.03436	0.7
58.06607	1.0
58.99863	1.0
65.03944	0.7
67.05508	5.0
68.05030	0.8
70.00828	2.3
70.06560	0.5
77.00905	1.4
77.03922	1.0
78.06332	2.0
79.05488	1.7
80.05018	5.7
80.59363	0.4
81.03410	1.2
81.07059	3.5
82.01446	5.4
88.02699	0.6
95.04972	100.0
95.08601	0.9
96.04512	3.8
96.05270	2.7
97.05264	0.7
98.21349	0.5
100.02486	44.7
101.00877	2.1
101.02592	2.0
103.93607	0.5
105.03393	1.0
105.04514	4.2
108.05731	0.5
112.03978	1.2
112.96700	0.5
117.10258	1.3
118.03526	40.8
119.01926	20.1
119.03582	2.6
123.04439	31.2
123.05557	20.4
123.08085	2.0
123.09042	0.5
123.11749	0.6
124.03960	9.4
124.04786	1.3
124.05895	0.7
124.07601	0.6
131.01898	0.8
137.02966	10.5
138.37674	0.4
140.03441	0.7
141.05090	1.4
142.03551	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03938	2.1
56.05023	1.6
58.06581	1.0
59.05007	1.4
59.06126	43.4
60.04529	4.8
61.02922	2.1
65.03942	2.6
66.06875	0.8
71.59789	1.2
74.06087	5.8
75.05609	2.4
77.03528	4.1
78.04718	1.0
79.05507	5.0
85.07664	1.6
87.05588	10.0
91.05486	92.5
91.23417	0.8
92.04996	1.7
92.05821	2.3
93.07032	4.1
95.04979	3.1
96.05299	2.2
103.05463	8.5
104.06259	8.3
105.04559	1.1
109.06526	2.1
115.05457	2.8
117.07025	16.1
119.04964	2.9
119.06075	4.2
119.06852	3.5
119.08586	100.0
120.04507	2.4
120.05597	8.1
120.08113	5.3
120.08937	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	119.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01680	0.5
55.01880	5.2
55.05513	11.6
56.05037	10.5
56.05864	1.0
56.96566	15.3
57.03432	2.5
57.04582	0.8
58.02964	0.8
58.06600	6.0
59.06127	100.0
60.04529	45.9
60.06444	1.1
60.95854	1.3
61.02928	7.9
62.06094	3.6
63.02719	1.5
65.00651	3.0
65.03952	5.1
68.95288	4.9
69.03452	1.8
70.06597	1.2
71.01350	3.4
71.04987	0.9
71.06109	1.0
71.06937	1.2
71.56826	1.2
71.94080	0.8
72.04523	3.8
72.06911	2.7
72.08150	4.5
73.02923	26.6
73.04053	1.0
73.04858	1.4
73.05305	1.9
73.08500	2.8
74.05655	1.4
74.06082	26.0
74.50038	2.5
74.97606	0.7
75.05611	6.3
76.04006	2.0
76.07655	1.9
78.93151	1.0
78.95285	1.5
79.05511	2.9
83.01362	4.2
83.06112	1.4
83.50545	13.4
84.00700	0.8
84.04504	3.9
84.08149	1.4
84.51332	0.7
85.05308	0.7
85.07682	2.7
86.06078	1.2
86.48426	0.6
86.51766	1.0
87.05593	16.9
89.02406	1.4
90.05596	0.9
91.02264	0.7
91.05487	77.4
92.05026	4.0
92.05843	2.2
92.51048	4.9
93.04533	0.8
95.01337	1.5
95.52376	1.6
100.02505	1.9
101.02384	6.1
101.07140	7.4
101.07801	0.8
102.05553	5.6
102.09209	3.8
103.05489	3.0
104.52181	1.3
104.52874	18.7
104.53537	1.1
105.02026	1.1
105.02651	2.1
107.47588	0.9
112.07632	0.9
112.96745	0.9
113.53391	4.5
116.00241	1.1
116.03696	2.2
116.48149	1.2
116.53629	0.6
117.07047	2.9
118.03542	2.5
119.02000	3.9
119.03432	13.1
119.05192	5.7
119.06108	8.1
119.06842	0.9
119.08670	13.2
120.03207	0.7
120.04520	3.9
120.05618	10.4
120.06541	1.9
120.08088	4.0
120.10274	0.9
121.04018	0.9
130.97754	0.7
131.01329	1.0
133.36481	0.6
137.02936	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	116.071
Annotation	D-Proline
Peak:m/z	Relative Intensity
59.06137	0.3
68.05016	0.3
70.06595	100.0
71.06921	1.9
71.29825	0.4
89.72906	0.2
103.33874	0.2
116.07096	15.4
117.07424	0.4
117.10231	0.2
123.94396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02373	3.6
51.50794	1.3
53.03710	2.2
53.03950	36.5
55.05503	1.8
56.05030	3.2
57.04555	2.3
58.02950	4.4
58.06582	5.9
59.04980	1.7
59.06130	47.7
59.07382	3.7
60.04519	6.7
60.06476	2.5
61.02912	1.8
63.39442	1.6
70.06591	4.3
70.16198	6.9
72.04501	4.1
72.08150	11.7
74.06069	5.9
75.05600	6.2
76.03989	4.4
76.93354	3.6
77.03540	2.8
77.03944	3.6
79.05499	3.1
81.03413	2.1
83.52360	5.3
85.07703	1.7
87.05601	9.7
91.05491	45.8
92.52901	3.6
94.94402	1.5
95.03119	2.0
95.04974	77.0
96.05288	2.2
100.07637	1.7
104.52918	2.1
105.04523	13.7
111.68869	1.5
117.07028	3.5
118.06547	100.0
118.08649	14.3
118.10567	2.5
119.04901	1.8
119.06064	3.5
119.06837	3.1
119.08599	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
58.06608	35.1
59.06135	41.6
59.07385	32.3
71.25289	6.9
71.25632	10.2
71.61632	5.4
74.91149	6.2
87.05582	6.7
118.08669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0865
Annotation	Betaine
Peak:m/z	Relative Intensity
58.06305	4.0
58.06600	82.1
59.07119	5.0
59.07386	72.9
71.54528	5.5
76.93468	2.7
91.05473	3.3
91.76128	2.7
118.08659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
51.59708	0.2
55.35623	0.2
58.06602	36.2
59.05026	0.2
59.06124	2.6
59.07384	39.3
60.07713	0.3
71.29616	0.5
76.81449	0.2
87.05600	0.3
91.05473	0.3
94.79885	0.2
118.08659	100.0
119.08257	0.3
119.09003	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08708	1.9
52.58522	1.8
55.01870	2.8
56.05022	3.9
56.96573	11.5
58.06588	3.0
58.99854	3.0
59.06127	82.7
60.04526	29.7
61.02913	5.1
67.05508	4.8
69.03428	23.6
69.05848	2.0
70.28130	9.8
71.94095	2.7
72.04530	3.0
72.06879	2.2
73.04042	2.6
74.06068	7.2
75.05599	4.4
76.63980	1.8
78.52966	3.9
79.05487	4.1
80.03524	3.2
82.01440	3.9
85.07649	2.8
85.53703	3.8
86.94424	2.0
87.05594	14.4
87.53500	3.8
91.04962	3.7
91.05488	48.0
93.07059	2.3
93.53461	3.6
93.78805	1.9
94.54276	2.3
98.52732	2.8
100.02486	33.3
101.00897	9.6
101.02568	10.2
101.07140	7.8
102.02238	5.4
102.05525	2.1
103.02442	5.0
107.05272	4.2
107.53183	3.0
116.05788	7.6
116.55861	2.4
117.07019	2.5
118.03526	33.7
119.01921	100.0
119.03657	10.0
119.06070	3.4
119.08575	8.8
120.02000	6.7
120.03274	7.1
120.05578	7.6
121.03477	5.0
130.97765	2.1
133.03435	5.4
136.04564	2.7
137.02959	60.1
138.03096	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	115.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01882	2.4
55.05515	0.9
56.05043	2.5
56.96584	1.9
57.03430	1.1
57.04554	1.2
59.03751	3.7
59.05007	7.3
60.04518	0.5
67.05509	1.2
68.05016	0.6
69.03444	2.7
69.05363	0.4
69.07076	13.9
70.02939	0.4
70.06599	100.0
70.29102	0.4
70.40434	0.4
71.05002	4.5
71.59592	0.5
71.74889	0.3
72.04508	0.5
72.16935	0.4
73.02923	2.7
73.06558	1.3
73.07681	4.6
73.93812	0.4
74.06085	1.0
74.93831	1.7
75.05648	0.9
79.05512	2.8
83.01353	0.8
87.00857	0.4
87.04483	8.7
88.07629	1.2
92.94865	0.7
95.04971	0.4
97.02891	1.1
97.06548	3.2
97.07646	1.1
98.06057	1.9
99.05538	0.4
115.03947	14.7
115.05524	2.2
115.07568	0.8
115.08767	0.8
115.09514	2.7
115.96497	0.4
116.03483	0.4
116.04293	0.6
116.07104	19.8
116.10769	0.6
133.97472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71109	0.4
54.03468	0.4
54.93835	1.4
55.05492	0.4
56.05033	0.4
56.96567	0.5
56.96974	0.3
63.63417	0.4
68.05033	0.7
71.23377	0.7
71.94102	100.0
72.04519	0.6
72.93797	1.1
74.04832	0.4
78.80715	0.3
80.52695	0.4
82.10324	0.3
83.06126	1.0
89.95143	6.6
95.06090	0.9
96.08117	0.7
98.50846	0.3
100.02497	1.3
101.53200	0.3
107.96166	0.6
112.96712	5.5
113.02374	3.4
113.07132	1.1
118.03529	0.9
119.01918	1.2
130.97768	3.0
131.01920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
54.03474	31.3
54.10543	0.6
54.93845	1.2
55.01873	1.7
55.05507	3.5
56.05039	9.9
56.96561	3.2
57.03436	1.8
57.07068	0.7
58.02962	1.8
58.06604	8.4
60.90766	0.6
65.03977	0.6
67.01865	1.8
67.05506	4.1
68.05034	12.4
69.03435	2.9
69.04537	0.9
70.02963	3.8
70.03764	0.7
70.06594	46.6
70.55296	1.4
70.55668	1.2
71.05003	1.4
71.06100	1.2
71.06927	10.8
71.94102	100.0
72.04530	3.4
72.08155	4.3
72.93784	6.5
73.05312	0.8
79.05506	1.1
80.52681	0.7
81.04543	76.0
82.02962	1.0
82.06574	0.8
83.06104	6.6
84.08147	6.0
85.02940	0.7
85.06547	1.7
85.07671	2.0
86.06072	9.3
89.52357	0.9
89.95142	8.8
90.94830	1.5
95.01331	2.3
95.04977	1.3
95.06090	10.4
96.00854	1.9
96.04464	0.8
96.06447	1.1
96.08134	22.1
97.04817	1.0
97.07658	1.6
98.04812	1.2
98.08432	3.4
98.76665	0.6
100.02498	1.9
102.56438	0.6
107.96206	0.8
112.96743	5.8
112.99276	1.3
113.00026	11.0
113.02371	46.7
113.03487	7.9
113.05985	2.7
113.07140	51.1
113.07912	3.2
113.09086	1.9
113.10762	14.8
113.96387	0.7
114.05525	6.5
114.09170	4.7
114.10305	2.5
118.03527	1.4
119.01905	0.8
124.28963	0.6
130.97743	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	112.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25123	0.2
52.33563	0.2
53.18488	0.2
54.03461	1.1
56.05041	0.4
56.96562	0.8
67.05504	0.4
68.05035	1.1
69.03429	0.9
69.04552	0.5
69.96867	1.1
70.02961	0.4
70.06590	100.0
71.04977	0.2
71.06927	2.0
71.94102	6.3
71.94507	0.3
81.04543	3.1
83.05652	0.4
83.06099	0.4
84.06445	0.6
84.08138	0.7
85.07698	0.5
86.06097	0.3
89.52382	0.3
89.95160	0.5
93.20752	0.2
95.02451	1.6
95.06095	2.9
96.00851	0.3
96.04483	1.4
98.08455	0.2
98.40932	0.2
112.03967	0.6
112.05100	9.4
112.05904	0.9
112.07615	2.6
112.08739	4.2
112.09476	0.3
112.11224	0.3
112.96723	0.4
112.99993	0.3
113.02361	2.1
113.03544	0.6
113.07127	2.3
113.10830	0.3
124.94054	0.2
128.85753	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	111.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
54.03461	0.8
55.01865	1.9
55.02744	0.9
55.02998	12.8
55.05515	7.2
56.05032	3.4
56.96568	7.7
57.83625	0.4
60.04518	0.8
65.03942	3.8
67.05507	17.1
68.05036	6.3
68.05841	0.5
69.03421	1.8
69.04545	0.9
69.07068	1.3
70.02940	0.9
70.06595	23.0
70.95880	0.5
71.07381	4.6
71.16940	1.5
76.49677	0.6
76.51608	2.3
78.03462	0.4
82.05329	1.9
82.06574	0.7
83.04981	6.8
83.06105	4.1
84.04494	1.3
84.08148	10.4
84.18530	0.5
85.07672	0.6
85.52103	2.0
87.02487	0.6
88.00489	8.1
88.02378	1.8
89.00237	1.8
93.03409	1.3
93.05779	0.9
93.07063	0.8
94.06573	16.7
95.04964	1.8
95.06110	2.8
96.04510	2.9
96.06879	4.4
96.51175	0.5
97.01013	10.3
97.02890	3.6
97.52121	0.6
97.99175	0.7
98.00798	2.9
98.01861	0.6
98.97593	1.4
99.51288	0.7
100.51028	0.5
106.01541	1.6
111.04469	13.7
111.05580	6.3
111.06393	1.4
111.09207	100.0
112.03959	1.9
112.04752	0.6
112.07609	6.2
112.08733	7.1
112.09538	3.6
115.96448	4.3
116.97208	1.2
116.98606	1.0
117.96001	1.3
118.03514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0717
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
55.93520	0.8
56.05038	1.7
56.38226	0.7
65.05779	0.7
66.49145	1.1
67.02984	1.1
68.05029	11.1
68.99412	0.8
69.04558	24.9
69.05347	0.8
69.91711	1.9
69.92123	2.1
70.06598	6.9
71.94109	3.4
72.93778	3.5
74.99831	2.7
77.50108	2.1
77.99944	2.9
82.06590	1.0
83.06121	7.1
84.00346	3.6
86.50627	22.9
87.00470	58.0
87.50602	3.3
88.00463	4.5
89.00900	1.1
89.50756	2.8
90.94859	1.1
93.04545	6.1
94.06565	1.0
95.51145	5.6
96.00990	13.3
97.01001	5.6
98.01419	14.8
98.51252	27.4
99.01290	1.2
99.51303	2.9
102.08916	0.7
106.08492	0.7
108.51820	0.9
108.95898	1.5
109.52205	4.6
110.02046	10.7
110.06081	11.7
110.07175	100.0
110.52194	1.2
111.05577	2.4
111.07487	1.7
111.09217	19.0
112.96706	10.6
113.96407	21.8
113.97158	1.5
115.96451	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25801	1.0
52.26179	1.0
53.00306	1.1
53.03950	32.1
54.04274	2.1
55.01873	1.8
55.05515	8.0
65.03945	8.7
66.49152	1.8
67.02968	1.6
67.04243	2.4
67.05506	74.7
68.05031	22.8
68.05826	2.0
69.04554	9.1
69.07069	4.5
71.58859	1.0
71.94106	1.8
72.93784	5.3
74.99844	1.9
75.49680	1.3
77.50108	1.2
77.99935	4.3
79.05501	13.4
80.05022	3.4
80.06258	1.1
81.03419	81.7
81.05828	1.2
81.07059	29.8
81.09199	1.1
82.03754	3.8
82.06580	20.9
82.07350	1.8
83.06094	3.8
84.00365	1.3
86.00704	8.9
86.50623	15.6
87.00467	100.0
87.04296	1.6
89.50719	1.3
90.94816	2.7
91.05479	3.6
92.04997	4.4
93.04531	1.4
94.04181	3.4
95.01221	1.6
95.25986	1.1
95.51140	2.7
96.00990	22.4
97.97038	1.1
98.51253	12.5
107.04955	1.3
107.08611	2.8
108.95844	2.1
109.02885	14.5
109.04018	1.7
109.06516	27.8
109.07644	48.2
109.10156	42.7
110.03646	1.2
110.06040	46.3
110.07161	28.1
110.10487	2.4
111.96883	2.6
112.96697	6.8
113.95586	1.9
113.96404	35.1
123.76715	0.9
126.00766	1.0
129.97876	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02371	0.6
53.03948	2.8
55.01871	1.0
65.03947	10.8
66.03465	0.6
67.04231	2.0
67.05503	4.7
70.86633	2.1
77.03925	0.8
79.05497	53.7
79.07792	0.5
80.05021	6.6
80.05805	1.1
81.03438	0.8
85.96562	0.5
87.28502	0.6
91.05486	100.0
92.05763	3.0
92.06279	2.7
92.52898	0.6
93.02065	0.8
95.04982	6.3
96.04485	0.9
105.04488	1.1
105.07037	31.0
106.06580	0.8
106.07349	1.0
107.04966	19.2
107.06062	4.1
107.08599	54.3
108.04512	4.0
108.05598	2.0
108.08127	2.5
108.08936	1.3
109.06525	19.8
119.06050	5.7
124.05231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03948	5.1
55.01871	1.3
56.96569	1.0
65.03947	9.6
66.64838	0.8
67.05500	4.1
69.34536	9.3
79.05495	42.4
80.05029	7.1
80.05821	0.9
84.01575	1.4
84.41097	1.0
91.05485	100.0
92.05785	1.6
92.06289	1.9
95.04965	6.8
96.04510	1.0
105.04523	2.7
105.07034	31.5
107.04214	1.3
107.04961	43.6
107.06098	3.7
107.08597	50.3
108.04499	5.4
108.05555	3.2
108.08107	2.6
108.08884	0.9
109.06518	16.1
119.06079	7.9
124.05343	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0289
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
51.02388	1.1
53.00278	0.3
53.03951	28.1
54.04283	0.6
55.01873	0.7
55.05510	1.5
56.96567	0.5
65.03948	2.2
67.03016	0.4
67.04263	0.5
67.05504	7.4
68.05035	7.1
69.04552	0.4
69.05817	0.6
69.07060	0.6
69.93337	1.4
69.93750	0.8
71.94125	0.4
72.08143	0.5
72.79092	0.4
72.93800	0.5
74.99852	0.6
79.05501	1.7
80.05021	0.8
81.03420	100.0
81.07064	3.7
82.03757	2.0
82.06579	6.3
83.06110	0.5
86.00696	0.9
86.50629	5.1
86.95592	0.3
87.00468	7.1
87.00957	0.6
91.05516	0.3
92.05006	1.4
94.04193	0.7
95.32685	0.3
95.51134	0.8
96.01009	1.7
98.51276	1.1
109.02882	18.9
109.06554	2.9
109.07645	18.3
109.10150	4.6
110.03644	0.3
110.06042	8.8
110.07188	1.6
112.96726	2.0
113.96412	2.9
129.97932	0.4
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	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03950	8.4
55.59064	0.8
59.03741	1.4
59.06943	1.7
60.04528	5.2
60.95850	3.4
64.95547	1.0
65.02157	1.0
65.03936	3.4
70.19009	4.7
76.04025	2.4
77.03947	1.1
79.05497	34.1
80.05833	1.0
95.04971	15.5
103.05477	21.1
104.90784	1.0
105.03423	1.8
105.04512	8.9
105.07034	100.0
105.11086	1.4
106.06586	2.4
106.07375	3.1
117.40227	1.1
121.45673	1.1
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
53.03955	6.7
59.06938	1.7
60.04533	3.7
60.08146	1.2
60.95842	2.9
62.05866	1.3
64.95555	2.0
65.03950	6.3
70.36476	4.7
70.47919	1.2
77.03924	1.6
79.04723	1.1
79.05500	27.6
86.05920	1.4
87.32023	1.3
90.02063	1.7
92.01852	1.8
92.37465	1.7
95.04978	15.3
103.05479	20.3
104.18382	1.1
105.03423	1.6
105.04540	12.6
105.07038	100.0
105.11069	6.3
106.06553	4.9
106.07351	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01591	0.3
51.02377	0.5
53.03706	0.3
53.03947	5.3
55.01870	1.2
56.96542	0.2
67.04227	0.8
70.95480	0.5
77.03915	0.9
79.05496	8.8
80.05015	1.5
81.03419	0.8
91.05494	1.1
95.04972	10.2
105.04503	1.8
105.07034	0.3
107.04957	100.0
108.04535	0.5
108.05254	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	1045.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
74.93255	0.1
80.42361	0.1
81.03421	0.2
85.02403	0.1
85.02901	1.1
91.05461	0.5
97.02900	0.4
99.04430	0.1
103.05458	0.2
105.07019	0.1
107.04915	0.1
109.02888	0.2
114.19025	0.1
115.03963	0.1
115.05433	0.7
116.06243	0.2
117.07001	0.3
119.04921	0.1
123.04323	0.1
123.86517	0.1
123.90300	0.1
127.03921	0.2
128.06213	0.8
129.07004	3.6
131.04918	0.6
131.08569	4.4
132.08974	0.1
133.04958	0.1
133.06529	0.1
133.10106	0.1
137.05997	0.8
141.06987	3.3
143.04897	0.3
143.08562	0.6
144.05695	0.6
145.04947	0.3
145.06464	0.6
146.07285	0.3
147.04260	0.1
147.08102	0.1
148.05191	0.1
149.05862	0.1
151.07573	0.3
155.06030	0.1
157.06487	3.6
158.07275	1.7
159.04417	0.2
159.08057	4.8
160.05182	0.6
160.08562	0.1
161.05956	0.3
161.09608	0.5
162.06747	0.3
163.06151	0.1
163.07578	0.3
168.05713	0.1
169.06467	2.2
169.07753	0.2
170.07274	1.0
171.04433	0.1
171.08057	0.8
173.05988	0.2
173.09657	0.2
174.06764	9.2
175.07541	2.6
175.09009	0.1
176.08253	0.1
177.09108	0.1
179.05540	0.2
183.08044	0.1
186.06766	2.3
187.07573	0.5
188.08333	0.7
189.09105	21.1
190.09456	0.5
191.07014	0.3
191.10667	1.9
201.09106	7.8
202.09413	0.2
203.10666	4.3
207.10179	0.5
219.10162	100.0
220.10498	1.4
221.11757	0.3
237.11212	4.0
249.11211	0.1
265.78427	0.1
363.14429	0.1
381.15509	0.8
1078.81531	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	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31507	15.9
58.06615	24.8
60.08150	20.9
78.99245	15.3
85.17678	14.2
87.22776	16.4
98.20785	42.3
101.66343	15.4
104.10736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93578	0.3
56.05027	1.4
56.96567	1.8
57.04559	0.4
58.06602	8.8
59.07373	0.8
60.04523	0.7
60.08166	30.9
60.95855	3.2
61.01150	0.4
62.06094	0.8
68.05013	0.3
69.03425	0.9
69.50715	0.6
69.64109	0.9
69.64527	1.3
69.73379	0.3
69.98063	0.3
72.04511	1.3
73.05293	0.3
74.06081	2.6
78.51212	0.4
81.01498	1.2
81.03438	0.4
86.06070	5.1
87.04462	1.4
89.52351	0.4
90.02032	1.4
97.43522	0.3
100.02493	0.8
104.07124	1.6
104.10746	100.0
105.11092	1.2
112.78015	0.3
118.03577	0.4
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	Choline
Peak:m/z	Relative Intensity
58.06596	3.2
59.07388	0.6
60.08163	32.7
66.02888	0.2
69.14005	0.2
70.06584	0.2
70.95870	0.4
70.96194	0.3
75.62350	0.2
81.52859	0.2
87.04461	0.4
87.60233	0.2
104.10741	100.0
105.11074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	3.1
59.06118	0.4
59.07364	0.4
60.08168	29.7
64.01890	1.3
71.22033	0.8
76.44102	0.4
79.32651	0.3
104.10751	100.0
105.04517	0.4
105.11079	0.9
115.11782	0.3
121.15264	0.4
122.02541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0554
Annotation	1-Aminocyclopropane-1-carboxylate
Peak:m/z	Relative Intensity
56.05038	100.0
56.96564	2.0
57.05376	0.7
57.86952	0.4
58.15527	0.4
64.87666	0.4
70.37080	1.0
74.02445	35.9
74.06082	16.3
79.01870	0.8
84.04514	8.3
85.02914	3.0
86.33007	0.5
93.03305	0.4
102.05544	33.1
102.83974	0.5
103.08792	0.6
109.05466	0.5
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
50.44765	0.1
53.91396	0.1
54.76765	0.1
58.06602	4.0
59.06118	0.2
59.07381	1.0
60.05833	0.1
60.06480	0.2
60.08167	34.0
61.08509	0.3
64.01906	0.4
71.58653	0.1
71.58982	0.2
86.06080	0.1
86.09733	0.2
92.88867	0.1
97.67555	0.1
104.10749	100.0
105.11064	1.3
117.07245	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	999.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	6.1
72.99197	0.8
73.02834	0.3
75.00763	1.5
83.01302	0.4
84.02083	0.2
85.02847	7.6
86.03204	0.2
87.00782	1.4
89.02338	0.5
95.01286	2.4
98.19795	0.6
99.00785	2.8
103.00272	1.6
107.01318	0.4
108.02069	0.2
109.02906	0.1
113.02359	11.0
114.02696	0.4
115.00296	0.7
117.01871	0.9
124.18709	0.2
125.02377	0.2
129.01852	0.6
135.00768	0.2
136.31494	0.1
139.00319	0.2
143.04945	0.2
151.00307	1.8
152.00964	0.1
153.01816	0.2
153.05556	0.2
157.01357	0.3
159.04491	0.2
161.02405	0.4
163.00287	1.0
171.04451	0.5
175.02454	6.3
175.03865	0.3
176.02769	0.3
178.99783	0.1
183.04453	0.2
187.04001	0.6
189.01942	0.3
199.04018	1.2
201.01846	0.2
203.03494	2.1
204.03976	0.1
213.02037	0.2
213.19110	0.1
214.02673	0.2
215.03482	2.2
216.04010	0.2
217.01418	0.3
226.02690	0.4
227.03427	0.9
230.02284	0.2
230.16269	0.2
231.03004	2.0
241.01422	0.3
242.02286	0.6
243.03001	5.9
244.03426	0.5
245.00951	0.2
249.07768	0.2
254.02197	0.4
255.03030	1.6
256.03485	0.2
258.01791	0.5
259.02530	8.3
260.02872	0.5
269.00977	0.6
270.01718	1.0
271.02536	22.4
272.02951	1.9
273.04059	1.2
274.04767	0.8
285.04059	1.6
286.01300	0.8
286.04559	0.4
287.02051	15.8
288.02374	1.3
289.07257	0.6
297.00436	0.3
299.02042	19.2
300.02771	9.2
301.03378	1.6
302.04376	1.0
313.03571	0.3
314.04373	1.0
315.01550	32.4
315.05209	18.6
316.01871	2.8
316.05563	1.6
317.06750	1.3
329.03110	0.5
330.03882	29.1
331.04227	2.2
344.05472	0.7
345.06229	100.0
346.06558	8.7
357.06412	0.2
462.08124	4.5
463.08585	0.4
477.10474	28.1
478.10782	2.9
491.08395	2.3
492.08923	0.3
507.11539	0.6
521.09503	38.2
522.09845	4.6
744.28186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92240	1.4
69.92657	2.6
70.89317	0.5
71.01277	5.3
71.06847	0.5
79.61311	0.6
83.01313	0.9
85.02867	1.1
87.00781	1.3
89.02347	2.4
96.95918	0.9
101.02377	2.8
113.02363	1.4
113.12917	0.6
119.03403	0.9
125.02371	0.7
129.20024	0.7
140.05139	0.6
142.54584	0.6
143.03706	0.7
143.04909	0.6
146.03638	3.3
156.04475	0.6
158.03664	1.1
159.04442	3.9
160.05275	5.6
161.05983	0.7
167.04935	0.7
171.03232	3.6
172.05229	2.3
173.06044	2.2
174.03169	0.7
183.03180	1.4
184.04015	69.7
185.04488	5.0
185.06116	2.9
186.03171	0.7
186.06894	3.0
187.03983	2.6
187.07671	1.3
188.04771	7.1
196.05368	1.1
197.04745	5.5
198.05531	5.9
199.03975	1.2
200.04784	3.4
208.07564	0.6
209.11888	0.7
211.11163	0.7
212.03381	3.1
213.04176	5.3
213.09114	0.9
214.06430	3.6
221.06648	0.6
239.10883	1.4
239.14455	1.3
241.12457	3.7
250.12309	0.7
255.23378	11.9
259.45190	0.7
265.12521	0.8
267.10327	6.5
267.13733	3.5
268.11029	2.0
269.12079	1.6
281.11859	0.8
283.13519	7.7
285.11670	1.3
285.15094	4.4
293.11899	2.8
294.11374	5.8
295.12204	10.2
296.12827	0.9
301.14536	2.0
303.16077	1.2
310.14584	1.7
311.13000	26.1
312.12988	2.6
313.13330	2.2
320.12939	1.2
329.13950	5.7
338.14066	12.6
339.14417	0.9
356.15045	1.2
471.63574	0.7
533.11639	0.7
709.27478	0.7
727.28204	1.1
736.27759	1.3
754.29633	3.4
902.31018	0.7
948.49524	4.2
949.51208	2.9
964.52374	1.9
965.51282	20.5
966.52539	6.1
992.52521	100.0
993.52924	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.294
Annotation	Unknow
Peak:m/z	Relative Intensity
71.60078	0.1
79.95632	7.4
80.96415	0.1
95.95158	0.1
96.95918	100.0
97.95827	0.2
98.95496	0.1
103.10921	0.1
105.08830	0.1
108.02052	0.2
109.02837	0.1
110.97501	0.7
121.02888	0.3
123.04459	0.1
136.01688	0.1
137.02394	0.6
150.03119	0.2
151.03981	0.3
153.01947	0.1
165.05524	0.2
176.93686	0.1
177.32626	0.1
179.07027	0.1
180.07886	0.2
193.08257	0.1
207.10237	0.1
216.98120	0.2
230.99684	0.1
241.05356	0.1
243.12402	0.2
245.01151	0.1
269.08270	1.8
271.09988	0.1
273.69037	0.1
281.08316	0.2
283.09793	0.1
299.09360	1.2
300.09955	0.3
314.11661	1.6
315.12363	0.4
329.14069	0.3
359.15244	0.1
418.98224	0.1
424.08524	0.3
439.10782	63.2
440.11111	5.3
441.10971	0.1
617.55481	0.1
840.45148	0.1
903.53778	0.1
940.18201	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	0.3
71.01275	3.3
71.01671	0.2
72.99185	0.2
73.02840	0.4
80.02564	0.1
81.03365	0.2
83.01293	0.2
83.04897	0.4
85.02850	0.6
87.00772	0.7
87.04432	0.1
89.02342	2.6
93.07007	0.2
94.95099	0.1
95.01287	0.2
95.04920	0.2
96.95933	0.1
97.02858	0.7
97.06494	0.2
98.03655	0.1
99.00790	0.2
99.04366	0.1
99.08067	0.1
101.02357	1.9
106.04171	0.1
107.08557	0.2
109.02891	0.1
109.06502	0.5
111.04388	0.1
111.08075	1.3
113.02357	1.1
113.09644	0.1
119.03445	0.6
120.05733	0.1
121.06533	0.1
123.04430	0.1
123.08051	0.2
124.01570	0.1
125.02381	1.0
125.09662	0.5
127.07578	0.2
127.11219	0.9
129.09111	0.4
135.08075	0.2
137.06026	0.2
137.09669	0.2
138.06775	0.1
139.07639	0.2
139.11234	0.2
140.08311	0.1
141.09154	0.2
143.03447	0.4
149.09694	0.3
151.07567	0.1
151.11256	0.8
153.09183	0.6
153.12799	3.2
154.13106	0.1
155.10732	0.9
155.14343	0.1
159.08253	0.1
161.04503	0.7
161.09641	0.2
163.11218	0.2
165.09160	0.1
165.12785	0.6
166.09929	0.1
167.10738	1.5
167.14433	0.1
168.11574	0.1
169.12315	0.7
177.12837	0.1
179.05568	0.4
179.10773	0.5
179.14374	1.5
180.14824	0.1
181.12318	2.3
182.12659	0.1
183.14056	0.1
189.12857	0.1
193.15942	0.8
195.10175	0.1
197.11813	2.1
198.12198	0.2
199.13376	0.8
200.13832	0.1
205.16010	0.2
207.13893	1.6
209.11899	0.1
209.15396	0.1
213.14967	0.2
215.12886	0.8
217.16020	0.3
218.16539	0.1
219.17577	0.2
221.06648	0.1
223.13431	0.1
225.11401	0.2
226.12111	0.5
227.12903	0.8
228.13606	0.6
229.14096	0.1
229.19582	0.2
231.17635	0.2
235.08278	1.3
237.22209	0.2
241.14575	0.2
245.19118	0.2
247.20709	3.6
248.21082	0.3
253.09352	0.2
253.21800	0.1
263.07831	0.1
263.20248	0.5
265.21774	0.7
267.19684	0.1
273.18695	2.1
274.19296	0.1
275.16647	0.2
277.21799	6.4
278.22223	0.7
281.21274	1.3
282.21564	0.1
287.07858	0.4
291.19745	21.8
292.20114	1.7
295.61716	0.1
305.08804	0.5
309.20798	100.0
310.21136	9.4
323.09961	0.2
336.04605	0.1
336.53552	0.1
379.12396	0.2
397.13608	12.4
398.13980	1.2
415.14703	4.3
416.15161	0.3
675.35846	0.7
676.36200	0.2
785.95190	0.1
867.39197	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	0.1
69.39310	0.1
71.01267	1.1
71.62556	0.1
72.80896	0.1
72.99196	0.1
73.02832	0.1
75.75757	0.1
80.41389	0.1
83.01261	0.1
83.04920	0.1
85.02853	0.2
87.00770	0.2
89.02336	0.8
95.01331	0.1
95.04937	0.1
96.95895	0.1
97.02849	0.2
97.06475	0.2
99.08064	0.2
101.02351	0.9
113.02363	0.4
113.09644	0.6
115.07568	0.7
116.92780	0.1
119.03410	0.2
124.01618	0.1
125.02382	0.4
126.06767	0.1
127.07556	0.4
127.11265	0.1
128.08350	0.4
131.33118	0.1
134.02029	0.1
137.09703	0.1
139.11215	0.2
143.03429	0.1
154.09923	0.1
161.04506	0.2
165.12805	0.1
167.10724	0.2
167.14375	2.3
168.14738	0.1
176.79942	0.1
177.12848	0.2
179.05571	0.2
179.10632	0.1
181.12277	0.1
183.13875	1.8
184.14256	0.1
185.15411	0.1
195.13887	8.8
196.14236	0.4
211.13411	0.7
213.14989	1.0
214.15280	0.1
221.06609	0.1
229.14505	0.2
235.08261	0.4
239.23781	0.2
241.14461	0.5
242.15219	0.8
242.76497	0.1
249.22307	0.5
253.09619	0.1
265.21823	0.6
267.23337	0.6
275.20166	0.5
277.21786	2.7
278.22171	0.2
281.21536	0.1
283.22916	0.5
287.07819	0.2
291.19772	0.1
293.21304	7.4
294.21579	0.6
305.09009	0.1
309.20804	0.2
311.22357	100.0
312.22693	7.1
312.26590	0.1
397.13602	4.4
398.13663	0.3
415.14670	1.3
416.14954	0.1
510.08997	0.1
675.35822	0.3
987.49634	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	971.5977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	1.1
71.01275	16.3
71.27839	0.4
71.49693	0.8
71.65376	0.4
72.99200	1.3
73.02841	2.6
78.80357	0.4
81.03364	0.9
83.01277	1.4
85.02837	3.9
87.00772	3.5
89.02339	14.1
95.01291	1.1
96.95909	1.2
97.02850	2.8
99.00787	0.9
99.92498	0.5
101.02351	13.0
109.02882	0.5
111.04432	0.6
113.02363	6.2
115.03899	0.7
116.74078	0.4
116.92749	1.2
119.03436	4.7
123.62084	0.4
125.02366	5.4
131.03470	0.7
133.05016	0.5
136.06351	0.3
143.03445	2.6
149.04478	0.4
161.04547	2.7
164.61142	0.4
167.03471	0.5
179.05598	2.2
179.14410	0.7
185.04527	0.4
195.13905	9.0
195.15515	0.3
196.14233	1.0
205.12331	0.8
211.13525	0.8
221.06683	0.8
223.13362	5.9
228.13701	1.3
231.21126	0.6
234.47656	0.4
235.08255	6.0
245.06728	0.6
253.09209	0.9
256.13208	1.6
265.21817	0.6
275.20221	4.2
279.23367	47.7
280.23669	3.7
287.07715	2.0
293.21307	100.0
294.21652	8.9
305.08890	2.7
321.24780	0.4
323.09875	1.0
397.13611	78.1
398.13928	5.8
415.14667	24.1
416.15070	2.2
581.80151	0.4
677.37585	5.2
678.37665	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6134
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99705	0.6
69.03337	1.1
71.01272	19.4
71.58893	0.8
72.99194	2.2
73.02836	4.0
78.95795	0.7
80.96393	0.5
81.03340	1.1
83.01272	2.1
84.77930	0.4
85.02843	5.1
87.00756	4.6
89.02339	16.7
90.02629	0.5
90.41331	0.5
95.01280	1.2
96.95903	0.8
97.02842	4.3
99.00790	1.1
101.01694	1.1
101.02351	17.8
102.02724	0.5
111.04432	0.9
113.02360	8.1
113.09641	9.3
116.92788	1.7
119.03425	5.0
123.00677	0.4
125.02389	7.7
131.03398	0.6
133.05092	0.8
136.68091	0.5
139.03894	0.8
139.11220	0.8
141.01874	0.7
143.03415	3.4
161.04529	4.1
167.03458	0.5
167.10718	1.4
177.93930	0.4
179.05568	3.5
179.10733	1.4
180.20030	0.4
187.47079	0.5
191.82057	0.5
193.74475	0.5
195.13905	1.1
205.33325	0.5
221.06685	1.2
233.06421	0.5
235.08275	9.9
249.22275	0.7
253.09369	1.2
255.23343	1.7
275.20062	0.6
277.21713	0.9
281.24927	59.7
282.25333	5.2
287.07590	2.6
293.21313	60.6
294.21655	4.9
305.08881	4.2
323.09827	1.1
379.12411	0.9
397.13599	100.0
398.13965	7.3
415.14685	30.7
416.15021	2.3
578.02881	0.5
649.21368	0.6
679.39331	7.5
680.39728	1.7
699.22211	0.5
849.48846	0.8
968.64893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	0.2
73.18434	0.2
80.93891	0.2
83.01259	0.3
85.02839	0.4
96.95918	0.2
107.01299	0.6
108.46375	0.2
109.02865	0.6
113.77553	0.2
121.02858	0.2
125.02377	0.3
133.02888	0.4
149.02425	0.2
151.00323	1.8
153.01872	0.3
157.02895	0.2
163.00359	0.5
171.04515	0.2
175.03914	0.4
177.01924	0.2
178.99750	0.3
187.03876	0.5
190.99693	0.2
198.03235	0.2
199.03987	1.9
201.01900	0.8
202.02644	0.4
203.03372	0.3
211.03989	0.3
213.01984	0.5
214.02718	0.2
215.03490	1.1
226.02704	1.2
227.03474	2.0
228.04155	0.3
229.01451	0.3
230.02289	0.5
241.01447	2.4
242.02237	6.4
243.03011	8.2
244.03543	0.5
245.04659	0.2
254.02281	1.9
255.03046	2.2
257.00879	0.7
257.04718	0.8
257.14224	0.2
258.01746	5.4
259.02325	0.7
269.01001	1.0
270.01727	3.1
271.02542	50.3
272.03012	4.4
273.04111	6.1
274.04562	0.3
284.03391	0.3
285.04034	1.3
286.01291	3.7
286.04678	0.6
287.01938	1.2
287.05670	1.6
299.02045	63.9
300.02740	22.6
301.03543	6.7
302.04001	0.3
313.03757	0.5
314.00873	0.4
314.04364	5.0
315.01685	2.8
315.05151	40.6
316.02090	0.6
316.05646	5.2
317.06442	0.2
329.03088	3.9
329.06833	0.3
330.03827	2.6
331.04492	0.6
342.04065	0.2
343.04483	0.3
344.05435	16.6
345.02682	0.2
345.06161	6.1
346.06635	0.5
357.06244	0.5
361.05762	0.3
387.07501	0.4
447.09201	1.3
462.08167	12.7
463.08682	1.9
477.10486	100.0
478.10834	9.6
507.11575	35.7
508.12018	3.9
521.09521	0.5
574.50189	0.2
833.78491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41126	1.9
81.03352	4.9
83.04914	11.9
96.95914	13.4
108.04420	0.4
125.02400	0.4
125.07133	0.7
126.05518	0.4
167.03488	0.4
175.02307	0.3
175.07794	0.3
177.01874	0.4
191.05640	0.3
207.15012	0.7
224.17657	2.0
225.16083	7.5
242.18851	0.4
255.78955	0.3
309.21768	0.9
324.26596	0.3
341.29172	0.7
367.27203	1.0
407.34296	0.5
433.31845	1.1
439.10797	6.8
440.10995	0.9
450.34409	0.9
451.33035	7.3
452.33264	1.2
567.45996	0.5
677.49713	1.2
735.17163	0.4
776.59436	0.4
806.91992	0.3
885.65704	0.3
903.66724	100.0
904.67096	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5972
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.1
69.34442	0.4
71.01276	21.9
72.99189	1.9
73.02840	3.5
75.00758	0.5
78.43180	0.4
78.95794	1.0
80.96400	0.7
81.03349	0.9
83.01285	2.4
83.04912	0.7
84.77357	0.4
85.02843	5.0
87.00784	4.0
89.02341	16.9
90.02670	0.5
94.08792	0.4
95.01281	1.1
96.95924	0.7
97.02864	3.3
97.06516	0.6
99.00783	1.3
101.02354	14.6
103.00270	0.5
103.03918	0.5
111.04434	1.0
113.02365	8.2
113.09637	9.0
114.71773	0.4
119.03406	4.5
125.02380	7.1
127.03851	0.4
131.03397	0.6
133.04956	0.5
135.11757	0.5
139.03943	0.7
139.11203	0.5
141.01909	0.5
143.03445	3.1
143.22780	0.4
149.04543	0.5
152.55164	0.3
153.73909	0.4
161.04529	3.8
165.12849	0.5
167.10721	1.2
177.12717	0.4
179.05550	3.9
179.10767	1.2
185.12059	0.4
195.13837	1.4
209.11903	4.0
210.12135	2.0
221.06590	0.6
227.12964	0.8
229.54810	0.5
235.08270	8.9
236.08670	0.6
249.22221	1.1
253.09399	1.6
255.23352	49.5
256.23666	4.2
263.56702	0.5
277.09329	0.6
277.21747	1.5
278.22137	1.0
279.23563	0.7
287.07797	2.4
293.21310	52.4
294.21606	4.2
305.08862	4.4
311.16864	2.0
323.09854	0.8
379.12479	1.0
392.86105	0.5
397.13623	100.0
398.13974	8.8
399.14240	0.6
415.14691	27.6
416.15082	2.2
653.37689	9.7
654.37842	2.3
946.47949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99667	0.2
69.03346	1.0
69.96697	1.0
71.01275	14.1
72.99191	1.2
73.02841	2.0
75.00755	0.4
78.95791	0.6
80.96394	0.2
81.03365	0.8
83.01283	1.4
83.04910	0.3
85.02852	3.2
87.00243	0.2
87.00774	3.0
89.02341	12.6
91.03876	0.2
93.03387	0.2
95.01289	0.7
95.04883	0.2
96.95902	0.7
96.96852	0.2
96.99637	0.2
97.02862	2.2
97.06462	0.2
99.00780	0.6
99.08056	0.2
101.02357	10.9
102.02703	0.2
103.03847	0.2
105.29083	0.1
109.02857	0.3
111.04417	0.5
113.02364	5.1
113.09630	1.3
115.03981	0.2
117.87381	0.1
119.03419	3.3
119.25838	0.1
121.02886	0.2
124.01608	0.2
124.27184	0.2
125.02377	4.9
127.43454	0.1
131.03423	0.5
133.04979	0.5
134.55833	0.2
139.03987	0.2
141.01892	0.3
143.03444	2.2
149.02351	0.2
149.04506	0.5
161.04503	2.5
167.03479	0.6
169.62997	0.1
177.12823	0.5
179.05592	2.6
179.14383	0.6
181.12328	0.4
185.04514	0.3
195.13892	14.1
196.14204	0.6
205.57910	0.2
209.11783	0.4
210.34798	0.2
217.07262	0.2
220.89833	0.1
221.06549	0.8
233.22806	0.2
235.08243	6.0
236.08591	0.4
245.06673	0.3
251.23860	0.2
253.09250	0.9
255.23344	32.0
256.23700	2.1
259.20679	0.2
263.02386	0.2
263.07742	0.4
277.21790	13.3
278.22064	1.1
287.07813	2.0
295.22855	100.0
296.23199	7.7
297.19440	0.2
301.94028	0.2
305.08899	2.9
323.09903	0.5
337.97580	0.2
379.12613	0.5
397.13605	66.9
398.13983	4.2
415.14670	18.8
416.14981	1.2
653.37708	7.6
654.38049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72698	0.8
69.03333	1.4
71.01273	14.2
71.04904	1.4
71.50074	1.6
72.99210	1.7
73.02840	2.3
73.08398	0.7
78.95794	1.6
79.70876	0.9
81.03333	1.4
83.01282	1.7
83.04928	1.1
85.02850	4.9
87.00756	4.0
89.02351	8.5
95.01288	1.3
97.02859	8.4
97.06520	0.8
99.00778	19.3
101.02334	7.3
109.06506	2.1
113.01657	1.0
113.02358	5.5
116.92789	1.0
119.03419	1.4
119.40532	0.7
123.08063	1.5
125.02353	5.4
125.09637	4.2
130.32024	0.7
132.30382	0.8
142.02623	1.9
143.03467	1.7
161.04497	1.3
163.11223	7.7
179.05537	1.1
181.12325	13.6
197.82184	0.8
199.13368	1.9
207.10263	42.0
208.10533	1.9
209.11832	5.9
225.11336	64.3
226.11696	3.0
235.08336	2.2
243.12416	21.1
244.12680	1.2
255.23343	51.4
256.23730	3.5
281.24872	3.0
299.14920	1.2
379.12534	2.6
387.25961	0.8
397.13654	10.0
415.14795	1.8
588.67456	0.9
605.24683	18.8
606.25000	2.2
623.26001	6.6
646.76160	0.9
653.37811	1.4
861.48737	100.0
862.33551	1.5
862.49231	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	923.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
69.02435	1.6
69.92114	3.8
69.92503	4.0
71.00893	2.6
71.01270	20.4
73.02837	3.0
80.02572	1.6
83.04920	4.5
85.02847	4.8
87.00783	5.7
89.02345	11.0
95.01321	2.1
97.02872	2.7
98.20460	2.3
101.01897	1.2
101.02381	10.8
113.02353	6.8
119.03416	2.8
125.02381	4.4
129.29498	1.5
143.03493	1.7
145.05090	1.5
161.04510	4.1
163.11267	2.7
165.12737	2.9
179.05560	3.4
209.11827	100.0
210.12180	6.9
217.07271	1.6
227.12897	13.3
235.08298	4.5
240.56580	1.7
253.75528	1.6
255.23357	57.8
256.23636	4.0
287.07693	2.5
305.08939	2.4
331.02570	1.6
379.12567	17.7
397.13599	47.6
398.14017	3.2
415.14609	7.3
440.20010	1.6
607.26184	3.9
653.37506	7.0
822.56055	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	945.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40836	0.2
69.50745	2.1
74.56063	0.2
83.01287	0.4
102.98456	0.4
107.01311	0.8
117.12325	0.3
125.02371	0.7
135.00833	0.3
137.02373	0.5
139.03889	0.3
151.00323	3.5
152.01018	0.4
153.01811	0.3
163.00310	1.0
163.31311	0.2
164.01137	0.5
169.01414	0.2
171.04320	0.3
172.45355	0.2
177.01825	0.4
178.98395	0.3
178.99835	2.8
187.03979	0.6
189.01892	0.4
191.03418	0.3
193.01523	0.3
199.04019	0.6
203.03535	1.3
213.01950	0.6
215.03468	2.0
217.01460	0.4
219.02988	0.2
220.03694	0.4
227.03493	0.2
231.03008	1.8
241.01466	1.6
242.02238	0.8
243.03043	3.6
245.01013	0.2
256.03769	0.4
258.01825	1.5
258.04269	0.2
259.02527	9.0
260.02872	0.6
269.00949	3.2
270.01743	0.9
271.02530	4.2
272.03140	0.5
272.28271	0.2
273.04095	1.1
283.05099	0.7
284.03171	1.4
285.04169	1.0
286.01288	7.0
286.04376	0.3
287.02032	15.1
288.02335	1.1
299.02124	0.3
300.02875	0.3
301.03625	14.2
302.04272	1.9
315.01566	15.3
316.02200	4.8
317.02631	0.3
329.03094	0.9
330.03885	54.2
331.04544	13.8
332.04962	1.0
334.86655	0.3
373.06219	0.3
463.08691	0.4
492.09372	0.3
493.10004	100.0
494.10364	9.5
656.42847	0.3
741.40942	0.3
845.86047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89040	0.6
69.03343	1.1
69.58385	1.7
69.58805	2.6
71.01273	54.3
72.01608	0.7
72.99200	3.9
73.02834	2.6
75.00764	1.0
80.96411	0.7
81.03349	0.9
83.01286	7.7
83.04923	1.9
85.02850	9.2
87.00777	13.7
89.02343	48.6
90.02695	0.8
93.03347	0.8
95.01295	3.1
95.04924	0.7
96.95908	0.7
97.02854	1.7
97.06519	0.8
97.38370	0.6
99.00791	1.9
101.02355	26.7
102.02671	0.7
111.00777	1.4
113.02362	25.4
114.02676	0.7
115.03911	0.6
119.03428	18.5
123.04455	1.0
123.08128	1.0
125.02365	1.0
125.06018	1.0
125.09640	3.4
131.03418	2.6
137.09662	0.7
139.11238	2.3
141.01881	1.2
141.09105	0.7
143.03441	9.1
149.04512	2.0
153.09158	1.7
161.04510	9.0
163.11243	3.9
165.12805	4.2
167.10754	1.4
171.10286	2.1
179.05588	22.0
180.05997	0.8
181.12286	0.9
185.11807	1.8
191.10747	1.8
193.15939	1.1
197.11861	1.7
207.10248	0.9
209.11841	27.5
210.12135	1.5
211.13400	0.9
245.19139	1.4
247.20695	4.1
253.09279	1.8
265.21732	1.5
273.18716	1.0
273.21869	0.6
275.20245	0.8
277.21796	100.0
278.22150	11.2
289.18176	5.1
291.19742	18.5
291.23328	4.7
292.20145	1.6
292.23627	0.8
301.21619	1.1
307.19220	11.5
308.19781	1.1
309.20804	28.1
310.21182	1.9
319.22818	5.4
320.22913	0.7
323.09915	37.9
324.10233	3.4
325.20328	2.6
341.10977	73.3
342.11292	6.5
350.06815	0.7
525.26581	0.6
543.28198	2.6
578.27142	0.8
579.26990	0.9
601.32471	34.9
602.32678	6.4
735.40509	0.7
786.47723	0.7
833.47174	1.5
834.47473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
66.99738	0.4
69.03351	4.1
71.01276	12.4
71.04903	1.3
71.58872	0.6
72.99201	1.8
73.02831	1.9
73.75644	0.4
74.68481	0.4
75.00748	0.6
78.95792	0.5
80.96420	2.3
82.02835	0.4
83.01282	1.4
83.04900	0.6
85.02853	3.0
87.00772	3.0
89.02351	7.3
94.97994	0.4
95.01292	0.8
96.95948	0.6
97.02853	1.6
97.06495	0.6
99.00767	0.9
101.02341	6.8
109.02830	0.5
111.00751	0.4
111.04433	0.6
113.02356	3.5
115.00283	0.8
119.03423	1.3
123.08067	1.3
125.02364	1.7
125.09656	1.3
127.07668	0.4
131.03358	0.6
141.01826	0.4
143.03453	1.0
150.89453	0.4
151.11169	1.5
153.12817	1.1
161.04535	0.9
161.09654	1.9
169.12335	0.6
171.10229	0.8
175.02440	1.8
179.05585	0.8
179.10751	3.3
197.11824	48.0
198.12180	2.7
206.49939	0.4
209.11815	0.5
221.06673	1.7
223.09737	1.2
235.08252	1.1
241.10867	2.6
253.09392	0.6
277.21802	16.8
278.22110	1.6
293.21378	0.5
309.20694	0.8
391.44891	0.4
397.13623	1.9
415.14484	0.9
562.35754	0.5
621.23840	0.6
639.25031	0.9
640.59772	0.5
881.45233	0.9
899.46722	100.0
900.46985	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	3.5
69.46806	1.8
69.47223	3.0
71.01276	14.5
72.99178	2.1
73.02836	1.6
75.00758	2.2
78.95782	0.6
79.95622	1.1
80.96413	3.0
81.03373	0.6
83.01276	1.8
83.04913	0.7
85.02842	4.7
87.00767	3.8
89.02342	7.0
89.35300	0.5
94.97973	0.9
95.01269	0.7
97.02846	2.0
97.06458	0.7
98.20588	1.0
99.00792	1.1
101.02354	8.7
111.04421	1.1
113.02354	3.5
115.00273	2.3
119.03414	1.4
123.08057	0.8
125.02383	3.0
125.09628	1.3
127.04010	0.5
143.03412	0.8
151.11259	2.4
153.12817	0.8
161.04521	1.7
161.09659	2.0
169.12262	0.7
171.10173	2.0
175.02431	3.9
179.10715	4.2
197.11821	33.6
198.12138	1.8
211.13478	1.4
221.06776	0.7
223.09784	2.6
235.08209	0.9
235.90787	0.6
241.10931	1.4
241.14452	1.0
244.59593	0.6
253.09406	0.8
277.21799	34.5
277.87665	0.6
278.21985	3.4
291.19632	0.9
309.20804	1.6
309.71976	0.6
342.44342	0.6
348.66290	0.6
397.13467	3.1
412.25525	0.6
781.43988	2.9
782.44696	0.7
881.45636	1.0
899.46649	100.0
900.46899	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99700	0.9
69.03333	1.2
70.16158	2.9
70.17102	0.6
71.01273	100.0
72.01614	1.4
72.99209	1.9
73.02840	3.9
75.00769	1.1
78.95808	1.3
80.96428	0.8
81.03378	1.6
83.01296	1.6
83.04939	0.8
85.02833	4.6
87.00787	5.3
89.02343	16.0
95.01300	1.1
95.83617	0.5
97.02863	3.8
97.06475	0.5
99.00783	2.2
101.02348	14.6
109.06502	3.5
111.00832	0.9
111.14518	0.5
113.02351	7.6
115.03886	0.7
119.03413	4.2
125.02359	6.6
125.09628	1.9
127.11227	1.5
129.77502	0.6
131.03389	0.6
133.05042	0.8
139.03984	0.6
141.01906	0.7
142.02782	0.5
143.03447	2.9
153.09090	0.7
161.04532	4.0
163.11263	2.4
164.98618	0.6
169.04961	0.6
171.10233	50.2
172.10617	2.1
179.05618	3.7
181.08716	0.8
181.12352	1.1
189.09186	0.6
197.11819	0.6
199.09741	9.3
199.13400	0.8
201.11304	9.1
207.10262	12.4
208.10675	0.9
209.11774	1.1
217.07121	0.8
221.06705	1.5
225.11331	10.2
235.08307	4.5
239.12735	0.7
243.12494	1.1
247.08279	0.7
253.09212	1.4
255.23344	59.1
256.23672	5.2
263.07739	0.5
269.25085	1.0
286.03665	0.6
287.07803	1.4
291.19711	1.0
293.21387	1.1
300.06262	0.5
305.08914	1.8
307.19366	0.9
309.20807	1.9
323.09845	1.0
379.12534	7.2
397.13629	38.5
398.13818	2.6
415.14749	8.1
416.15027	0.6
548.94165	0.6
569.24371	0.7
605.24756	0.9
623.26227	1.2
653.37970	1.6
835.46667	2.6
836.47919	0.8
861.48792	8.4
862.49756	2.2
879.50085	1.4
897.50854	8.6
898.51959	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98728	4.6
69.03342	1.9
69.95122	3.9
71.01270	28.6
72.01599	1.2
72.99183	2.1
73.02850	3.4
81.03350	2.6
83.01285	2.4
83.04910	4.4
84.02083	1.1
85.02839	5.6
87.00784	5.5
89.02338	21.1
91.25584	0.8
95.01305	1.6
97.02878	4.8
97.06503	0.8
99.00800	2.6
101.02355	19.1
113.02367	9.6
119.03419	5.6
125.02372	8.6
125.09628	2.2
127.11220	2.8
143.03441	3.4
155.10690	2.0
158.34338	0.7
161.04527	4.9
163.11217	3.6
165.09065	1.1
165.12802	1.2
167.03363	1.3
167.35498	0.8
171.10252	4.6
179.05544	5.8
181.12338	0.8
183.10204	1.1
191.10783	1.2
197.11943	1.0
199.09727	1.1
201.11314	75.8
202.11684	4.2
207.10268	1.9
208.10608	1.0
209.11827	100.0
210.12158	6.7
217.07289	1.2
221.06602	1.9
225.11391	3.2
226.11551	1.1
227.12912	13.1
228.06032	0.8
228.13080	1.1
235.08246	7.0
253.09340	2.8
255.23346	76.8
256.23746	6.9
259.08319	1.2
269.24902	1.0
277.21790	1.2
287.07794	1.9
291.19641	1.8
293.21329	4.1
305.08926	2.1
309.20825	2.8
323.09927	2.5
379.12549	13.7
380.13596	1.0
389.57306	1.1
397.13617	67.5
398.13959	6.2
415.14621	11.2
416.15057	1.1
421.33203	1.0
439.34509	0.9
574.94855	0.9
581.24823	4.4
589.25122	3.0
599.25830	2.4
607.26227	2.2
635.36792	2.3
653.37677	11.7
654.38190	2.6
716.18646	0.8
837.48883	3.0
853.79553	0.9
863.48566	1.6
881.50104	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	879.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02285	0.4
65.00202	0.4
66.19907	0.3
69.57018	0.3
71.01276	0.3
71.52208	0.5
77.83105	0.3
78.76780	0.3
83.01286	0.4
96.95893	0.5
100.38074	0.3
107.01305	1.3
109.02847	0.8
119.04910	0.3
124.01563	1.5
125.02377	5.6
125.06000	0.9
126.02807	0.3
134.03603	0.3
135.00903	0.3
136.01611	0.4
137.02380	2.0
151.00322	6.4
152.01050	1.1
153.01877	0.3
163.00293	1.6
164.01105	1.2
165.01877	0.4
169.01393	0.9
178.99823	5.4
192.00671	0.4
199.03865	0.3
203.03448	0.8
204.04144	0.4
205.86510	0.3
214.02740	4.1
215.03201	0.4
231.03000	0.3
232.03770	0.3
242.02211	3.4
243.02980	2.3
244.03368	0.3
253.07249	2.9
255.03017	1.0
259.02505	3.7
261.04175	0.3
270.01767	5.3
271.02548	27.3
272.02878	1.9
287.02057	16.0
288.02594	1.7
299.01901	0.5
300.02789	2.7
301.03604	2.2
315.01517	1.0
316.02319	83.8
317.02975	21.4
318.03424	1.0
415.12592	1.7
436.62119	0.3
463.08945	100.0
464.09296	11.9
464.15820	0.6
477.06906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	1.2
69.03332	3.9
71.01268	37.6
71.04908	2.2
72.99191	3.0
73.02828	6.7
80.83952	1.1
81.03375	1.8
83.01276	3.7
84.02031	1.0
85.02846	8.0
87.00769	7.6
89.02338	21.9
93.03310	1.2
94.74222	1.0
95.01273	2.9
95.04906	1.4
97.02859	9.3
97.06469	1.9
99.00796	16.5
101.02356	20.2
107.04882	1.1
109.02869	2.2
109.06494	2.3
111.04465	2.1
113.02356	12.4
119.03416	6.1
119.24367	1.2
125.02367	8.4
125.09634	9.2
127.11226	2.8
141.01878	1.1
143.03429	3.8
155.03444	1.0
161.04509	3.8
161.09697	1.3
163.11240	10.3
164.11499	1.1
171.10231	38.8
172.10593	1.3
179.05511	5.1
181.12311	12.4
185.11813	1.1
189.09084	1.5
197.11813	3.6
199.13423	9.6
201.11305	18.5
202.11507	1.1
207.10269	36.4
208.10513	1.7
221.06638	4.0
225.11343	56.9
226.11667	4.1
235.08337	6.5
243.12425	16.3
243.14720	2.1
244.12785	1.9
245.48387	1.2
253.09274	1.7
253.16252	1.1
255.23352	98.2
256.23688	9.6
259.67889	1.2
269.24924	1.3
275.31573	1.1
287.07736	2.6
288.76328	1.1
291.19711	7.5
305.08752	1.6
305.29590	1.0
309.20673	4.1
323.09845	1.4
323.24344	1.0
369.01599	1.0
379.12415	9.5
397.13654	38.2
397.18747	1.3
398.13776	4.5
415.14603	8.2
439.14597	3.4
501.41824	1.2
527.28741	1.4
551.23651	1.7
605.24799	4.5
623.25739	4.5
626.30670	1.3
653.37225	2.4
861.48901	12.7
862.49542	2.4
879.49811	100.0
880.50140	28.6
898.77582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	0.8
69.03349	3.9
69.54031	4.3
71.01271	13.2
71.04897	1.1
72.35851	0.5
72.99190	1.9
73.02830	1.4
79.00477	0.5
83.01262	1.8
83.04920	0.8
83.74343	0.5
85.02850	3.0
87.00764	2.0
89.02338	9.1
93.03364	0.8
95.01295	1.0
97.02853	1.9
97.06483	0.7
99.00779	1.1
101.01711	0.6
101.02353	8.9
111.00761	0.6
111.04410	0.9
113.02361	3.2
115.20905	0.5
116.92759	0.9
119.03424	2.4
123.08065	0.8
125.02372	2.6
125.09598	1.5
131.03374	0.8
133.66026	0.5
143.03487	0.9
151.11246	1.8
153.12791	0.9
161.04489	1.5
161.09686	2.7
169.12209	0.7
171.10187	1.8
179.10719	4.4
197.11819	53.7
198.12170	2.9
209.11745	0.8
221.06668	2.1
223.09805	3.0
235.08487	0.8
241.10799	3.3
253.09355	0.5
255.23346	29.6
256.23682	2.6
291.19632	1.4
307.19043	0.6
379.12366	1.0
397.13623	3.7
415.14319	0.6
628.27795	0.6
639.25549	0.6
732.39221	0.6
859.46796	1.5
877.48230	100.0
878.48529	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	877.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98744	0.2
67.01775	0.3
69.03342	4.2
70.03687	0.3
71.01273	13.6
71.04912	0.9
71.54016	0.5
72.99198	1.2
73.02826	2.1
73.25029	0.2
75.00754	0.5
81.03373	0.6
83.01292	1.5
83.04926	0.5
85.02852	2.4
85.93623	0.3
87.00773	2.2
89.02345	9.2
90.73873	0.3
95.01306	1.0
97.02861	2.2
97.06491	0.8
99.00793	1.0
101.02351	9.0
108.02096	0.2
109.02878	0.4
111.04462	0.5
113.02366	3.8
116.92793	0.6
119.03418	1.6
121.02878	2.3
123.08071	1.0
125.02411	1.9
125.09634	1.9
131.03416	0.3
137.09668	0.3
139.03815	0.3
142.96719	0.3
143.03482	0.7
149.04555	0.3
149.09709	0.3
151.11220	2.4
153.12785	0.8
161.04478	1.2
161.09674	3.2
179.05585	0.8
179.10756	4.8
197.11824	33.7
198.12151	1.5
209.11841	1.6
221.06667	1.6
223.09785	1.3
235.08276	1.1
241.10846	2.2
253.09428	0.4
255.23341	43.3
256.23703	2.8
269.24884	0.5
327.58521	0.3
336.11731	0.3
379.12463	0.3
397.13602	2.0
398.13614	0.3
406.22528	0.3
410.69583	0.2
415.14746	0.6
517.73334	0.3
542.29401	0.2
560.08270	0.3
639.24945	0.4
859.47479	0.5
877.48224	100.0
878.48572	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72696	1.4
61.98701	4.0
65.00183	1.1
68.72363	0.9
70.08164	5.3
71.01270	10.2
78.95792	24.1
79.95597	1.5
80.96396	1.1
82.95300	1.6
85.02849	2.6
89.02363	5.6
95.01306	1.1
95.32899	1.0
96.95913	18.0
101.02358	3.5
107.01221	1.4
108.02071	1.1
109.02874	2.0
113.02370	1.5
116.92735	2.0
118.02888	11.9
119.03380	2.5
120.00775	1.3
123.00783	2.4
125.02367	3.1
131.86812	1.2
133.01645	1.4
135.00809	14.1
136.01587	8.0
137.02400	8.1
140.01137	7.7
146.02425	36.3
147.03043	2.1
152.99509	3.9
161.01137	9.2
162.01921	100.0
163.02271	2.5
168.63715	1.1
171.10231	2.4
196.03819	3.2
197.11835	1.8
209.11855	2.9
211.13547	1.2
214.04828	4.9
253.09189	1.5
307.19119	1.7
309.20544	2.4
327.21710	3.4
347.25986	13.8
349.27557	85.6
350.27985	11.4
467.28287	2.2
486.81125	1.6
494.29388	1.7
544.30341	1.8
546.32214	14.0
547.32471	1.6
572.61053	1.2
674.35675	13.0
675.35510	2.0
871.40179	75.5
872.40521	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	871.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.1
69.03340	0.5
69.21024	2.0
69.21450	1.5
71.01277	3.0
71.04916	0.7
72.02029	0.7
73.02863	0.6
76.44375	0.3
77.28784	0.3
78.95804	0.6
79.95646	0.3
80.02575	1.3
80.96407	0.7
81.03367	1.0
83.04916	3.4
84.02043	1.9
85.02862	1.1
87.00768	0.3
89.02343	0.5
95.04931	1.0
96.95917	1.1
97.02830	0.5
97.06485	1.7
98.03633	0.4
98.20563	0.6
99.04430	0.7
99.08055	2.3
101.02357	0.7
106.04175	0.4
109.02915	0.4
109.06487	1.0
111.08070	0.6
112.05241	0.4
113.09716	0.3
115.07603	1.6
116.92758	0.9
119.54644	0.3
120.72408	0.3
123.04431	0.6
123.08095	0.7
124.05195	0.4
125.02320	0.4
125.06017	1.0
125.09625	3.5
127.07583	9.8
127.11211	0.6
128.07866	0.5
135.08096	1.2
137.02332	0.7
137.09634	1.0
138.06839	0.4
139.07553	2.4
141.09160	0.5
141.12779	0.5
147.11703	0.4
149.09595	0.3
153.09166	7.9
153.12782	0.4
155.10719	2.3
161.40215	0.3
163.11229	3.0
165.12787	2.1
171.10236	9.7
172.10616	0.7
178.09970	1.8
179.10712	0.7
181.12335	1.2
183.13857	0.4
185.11800	11.7
186.12161	0.7
191.10748	0.9
191.14383	2.0
197.11819	13.1
198.12080	0.5
207.10216	1.2
209.11827	54.1
210.12178	3.1
217.16081	0.3
219.13889	0.4
225.00833	0.3
225.11412	0.4
227.12967	0.7
236.10635	0.7
237.11331	0.5
238.12144	4.5
239.16542	0.4
245.19093	3.1
251.16588	0.7
253.09088	1.6
253.18179	0.6
255.12402	0.8
256.13171	2.1
263.20209	1.0
265.18173	1.0
279.19669	1.1
281.21274	0.8
289.18170	7.9
290.18524	1.0
291.19730	4.4
292.20102	0.5
307.19229	79.8
308.19525	7.3
309.20804	5.9
311.22299	0.4
325.20276	100.0
326.20596	9.1
634.99780	0.4
871.42218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	2.6
66.59830	0.9
69.18814	2.6
69.19225	8.0
71.01277	7.5
73.02833	0.9
78.95796	20.6
79.95594	1.2
80.21806	0.8
83.04920	1.2
85.02831	2.2
87.00768	0.9
88.55232	0.8
89.02329	3.6
95.01291	1.5
96.95916	14.4
101.02344	3.1
101.89011	0.9
102.02670	0.9
107.01313	1.3
109.02846	1.5
113.02328	2.2
116.92743	1.3
118.02914	14.4
119.03327	1.2
123.00774	2.0
123.04445	1.0
125.02374	1.3
125.09669	1.8
127.07561	1.0
135.00806	12.4
136.01581	4.6
137.02383	6.4
137.47128	0.9
140.01109	5.7
146.02428	43.8
147.03194	8.7
152.99483	2.4
153.09109	1.7
154.09482	1.2
161.01100	6.2
162.01920	100.0
163.02237	2.6
164.56537	0.9
169.59906	0.9
171.10229	4.3
172.10530	2.2
188.26778	0.9
196.03760	3.3
197.11766	1.8
209.11862	6.6
210.12152	2.8
211.13338	1.8
214.04832	5.1
237.14996	1.0
253.09151	1.9
289.18280	1.2
297.06433	1.0
307.19168	8.5
308.19662	4.7
309.20401	2.6
324.07230	1.7
325.20187	3.7
326.20667	2.2
327.21643	2.1
347.25885	10.7
349.27563	72.9
350.27933	9.8
397.13663	1.1
467.28030	1.1
494.28925	1.8
541.27454	0.9
544.29987	3.9
546.32086	12.9
547.32617	1.2
583.98108	1.0
627.45746	1.0
674.35480	9.5
675.35486	1.8
691.32605	1.2
794.05933	1.1
853.49689	1.8
868.97534	1.3
871.40118	55.6
872.40320	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	867.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	0.9
65.55752	0.6
69.03334	0.8
71.01277	19.0
72.99191	1.6
73.02830	2.6
78.95799	1.9
80.96414	1.0
81.03357	0.8
83.01292	2.2
85.02848	4.4
87.00777	4.7
89.02341	17.3
95.01310	0.9
97.02840	3.1
98.20569	1.3
99.00778	1.8
101.01701	1.0
101.02355	14.5
113.01735	0.7
113.02382	7.1
114.91074	0.6
119.03429	4.8
123.55314	0.6
125.02380	8.3
125.09629	1.3
127.03885	0.6
127.11222	1.7
131.03484	0.6
139.03967	0.9
141.01797	1.0
143.03430	2.6
161.04507	3.8
167.03458	0.7
171.10233	100.0
172.10562	3.8
179.05591	3.3
199.06149	1.0
215.90149	0.6
221.06665	1.7
229.26437	0.5
235.08253	5.6
241.17522	0.6
253.09419	1.4
255.23344	67.7
256.23636	4.9
259.08514	0.8
269.24869	0.8
287.07852	2.1
293.21359	2.0
295.22940	2.7
305.08878	2.0
323.10178	1.1
379.12552	19.3
380.12598	1.3
397.13602	38.4
398.14188	2.9
415.14667	7.0
416.15332	0.7
551.23718	5.7
569.24969	3.1
635.36835	4.5
653.37750	6.3
654.38232	1.1
807.48346	1.3
867.49182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.493
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90567	1.2
61.98725	9.9
69.83585	5.3
71.01273	12.1
71.04905	2.0
72.02057	1.2
73.02807	2.2
78.95814	2.2
79.95637	2.3
80.02567	1.6
80.96410	2.5
81.03367	1.7
81.16827	1.2
83.04910	5.6
84.02062	1.3
85.02854	3.4
87.00758	1.9
87.43861	1.2
89.02350	5.4
95.04953	2.1
96.95921	26.4
96.96890	1.5
97.02847	2.8
97.06495	4.1
98.20465	1.4
99.00790	2.0
99.04426	2.8
99.08068	1.4
101.02343	7.6
107.65701	1.2
111.08113	1.7
113.02357	4.5
115.07549	3.1
119.03460	2.2
123.04485	2.0
125.05981	1.4
125.09659	8.1
127.07592	4.9
130.99469	1.2
135.08127	3.6
137.09618	1.8
139.07632	2.0
141.09175	2.9
143.07031	1.4
153.09157	22.9
155.10783	2.3
161.04533	2.7
163.11279	6.5
165.12776	4.6
165.14113	1.3
171.10237	37.6
178.09952	4.6
179.10840	1.2
181.12321	1.6
185.11813	12.2
191.10794	2.5
191.14464	2.8
193.12387	1.4
197.11824	12.4
209.11827	77.8
210.12183	4.0
223.13553	1.7
227.12785	2.4
235.01862	1.3
235.08351	5.5
236.10507	1.6
237.11331	1.5
238.12265	2.5
245.19177	4.4
253.09267	11.1
258.70963	1.1
260.44635	1.2
271.17194	1.2
276.45123	1.3
279.19781	2.2
281.21533	1.2
283.02466	1.2
289.18195	22.6
291.19705	2.8
305.17676	2.7
307.19235	100.0
308.16278	1.1
308.19455	7.2
309.20801	3.9
319.19254	1.5
323.18802	1.3
325.20279	44.0
326.20657	5.2
327.21857	3.1
407.19525	1.9
474.21619	1.6
525.27173	4.8
543.28296	26.9
544.28632	2.7
561.29340	5.7
645.22882	1.3
697.38275	3.8
709.38910	2.7
723.39764	2.2
727.39160	2.9
735.39813	1.9
753.41956	1.9
764.40179	1.9
782.41394	3.5
833.47046	13.2
834.47772	3.1
851.48383	14.5
852.48792	3.5
869.49384	6.9
870.49109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52638	0.3
61.98741	0.2
67.01745	0.3
69.03341	1.1
69.96682	0.5
69.97107	1.0
71.01274	15.2
72.99195	1.4
73.02833	2.2
78.95750	0.3
80.02566	0.9
80.96429	0.3
81.03362	1.9
83.01273	1.5
83.04916	4.5
84.02061	0.8
85.02843	3.2
86.45808	0.3
87.00772	3.8
89.02342	13.4
90.02714	0.3
91.03970	0.3
93.03391	0.3
93.24289	0.2
95.01294	1.1
95.04929	0.6
97.02853	2.2
97.06482	0.2
99.00780	0.7
101.02351	11.5
102.02660	0.3
107.95660	0.2
109.02839	0.4
109.06498	0.4
111.00771	0.4
111.04459	0.4
113.02362	7.0
115.03925	0.4
119.03433	3.6
121.02885	0.3
124.01531	0.3
125.02371	6.3
125.06019	0.7
125.09554	0.3
131.03398	0.8
133.05032	0.3
135.08133	0.6
139.04007	0.5
141.01698	1.2
143.03465	2.9
149.04482	0.4
161.04518	3.6
163.03998	0.2
163.11269	3.4
164.11571	0.3
165.12801	2.5
167.03427	0.5
179.03464	0.3
179.03984	0.4
179.05569	4.3
181.12267	0.7
191.10747	1.0
199.13445	0.5
209.11829	100.0
210.12161	6.0
217.07187	0.9
221.06638	1.2
227.12906	14.6
228.13222	0.7
235.08247	5.4
236.08638	0.4
237.22368	0.3
245.06618	0.3
251.12875	0.6
253.09348	0.4
254.52443	0.3
255.23344	49.3
256.23697	4.1
259.08096	0.6
263.07703	0.6
269.24936	0.6
280.70456	0.2
287.07813	2.0
301.09351	0.3
305.08875	1.7
309.21112	0.3
323.09793	1.5
324.10440	0.3
361.11548	0.4
379.12521	9.0
380.12988	0.9
397.13602	38.2
398.13983	2.8
415.14697	8.1
415.19009	0.2
416.15268	0.6
534.75574	0.2
589.25323	1.4
604.54919	0.3
607.26312	1.9
608.26727	0.3
635.36536	0.7
653.37830	1.5
654.37805	0.4
678.73584	0.3
863.50049	1.7
864.48822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	0.5
69.03345	1.3
71.01270	19.0
71.04896	0.2
71.55930	0.2
72.01588	0.3
72.99196	1.5
73.02840	2.6
73.83935	0.2
75.00761	0.3
80.02570	1.2
80.96414	0.6
81.03346	2.4
83.01276	2.3
83.04920	4.9
84.02054	0.7
85.02844	4.0
85.99973	0.2
87.00773	4.5
87.63522	0.2
89.02339	15.0
91.03935	0.3
93.03352	0.4
95.01286	1.3
95.04915	0.6
97.02851	2.7
99.00774	0.9
99.04419	0.4
101.02347	13.9
102.02667	0.4
103.00269	0.2
109.02839	0.3
109.06506	0.4
111.00806	0.4
111.04417	0.6
112.94408	0.2
113.02357	6.8
115.03905	0.3
119.03422	3.7
121.02871	0.4
125.02369	6.3
125.06004	0.4
131.03407	0.8
133.04984	0.5
135.08057	0.7
137.09537	0.2
139.03963	0.6
141.01830	0.6
143.03427	2.2
145.04936	0.3
149.04468	0.3
161.04500	2.8
163.11235	3.9
164.11569	0.2
165.12822	2.3
167.03371	0.5
170.65289	0.2
173.09526	0.2
178.60048	0.2
179.03423	0.2
179.03984	0.2
179.05553	3.1
181.12308	0.7
185.04501	0.2
188.93248	0.2
191.10724	1.2
199.06094	0.5
199.13287	0.2
207.10173	0.3
209.11819	100.0
210.12155	6.5
217.07133	0.9
221.06699	1.5
225.11273	0.2
227.12898	12.0
228.13300	0.5
235.08269	5.4
253.09335	0.8
255.23331	56.6
256.23654	5.3
259.08240	0.6
263.07751	0.6
269.24911	0.6
287.07764	1.8
297.24435	0.3
305.08820	2.1
323.09872	0.9
361.11426	0.4
379.12534	8.7
380.12827	0.5
397.13586	37.3
398.13864	3.0
415.14664	7.9
416.14917	0.6
435.44275	0.2
543.32068	0.2
589.25262	1.2
607.26202	0.7
608.26685	0.3
635.36591	0.5
636.60071	0.2
653.37854	2.1
654.38593	0.4
767.81915	0.2
863.48840	0.8
864.49542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	36.7
69.03339	1.2
71.00925	1.2
71.01266	8.6
71.04912	0.9
71.52804	1.3
71.53239	1.4
73.02842	2.9
78.95788	1.2
80.02570	1.0
81.03358	1.8
83.01276	1.4
83.04920	3.6
85.02851	1.6
87.00777	1.6
89.02359	5.5
93.03279	0.9
95.04928	2.6
96.95919	10.9
96.96867	1.5
97.02814	2.0
97.06496	1.3
98.19843	0.8
99.04417	1.3
99.65417	1.0
101.02362	8.3
102.81870	1.0
109.06490	1.3
111.93268	0.9
113.02340	3.8
115.07561	2.9
116.92731	1.4
119.03436	2.3
121.02849	1.0
123.08075	1.9
125.06009	1.4
125.09643	6.3
127.07560	4.1
127.11197	1.3
135.08078	2.0
137.09645	1.8
141.09178	1.7
141.12781	1.1
149.09666	1.1
153.09158	13.5
153.12746	1.4
155.10730	1.5
161.04482	3.4
163.11214	7.2
165.09135	1.3
165.12822	8.1
171.10234	28.3
172.10532	1.6
176.89995	1.5
178.09999	2.4
179.05518	1.1
179.14420	2.2
181.12291	3.1
183.13771	1.1
185.11848	7.4
191.10796	1.9
191.14337	1.8
193.15930	1.5
197.11844	9.0
207.10323	1.3
209.11827	48.5
210.12151	1.8
211.13362	2.1
223.13312	3.0
227.12906	1.9
235.08299	5.9
245.19164	1.8
247.20641	6.2
248.21214	1.2
253.09380	18.3
263.20261	1.3
273.18701	2.5
289.18213	15.8
291.19754	73.6
292.20114	6.6
307.19241	70.5
308.19513	6.0
309.20801	100.0
310.21219	9.9
325.16681	1.8
325.20294	27.2
326.20651	2.7
327.21750	2.0
333.44601	1.1
525.27057	3.3
527.29126	1.6
543.28217	19.1
544.28381	2.6
561.29309	4.3
766.41437	4.0
767.41852	1.4
817.47668	2.8
835.49011	19.7
836.48779	5.0
853.50592	7.0
854.48322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	0.4
66.11481	0.1
68.99699	0.2
69.03341	1.2
69.24498	1.6
71.01273	17.3
72.01604	0.3
72.99197	1.6
73.02836	2.7
75.00770	0.3
80.02564	1.0
80.96413	0.5
81.03345	2.2
83.01263	1.5
83.04918	4.6
84.02055	0.7
84.55699	0.2
85.02850	3.3
86.00006	0.2
87.00772	4.4
87.04393	0.2
89.02340	14.2
90.02672	0.4
91.03909	0.4
93.03336	0.2
95.01298	1.1
95.04928	0.7
95.39774	0.2
97.02852	2.8
98.20495	0.3
99.00784	1.2
99.04423	0.3
101.02349	13.1
102.02732	0.2
109.02876	0.4
111.00815	0.4
111.04428	0.5
113.02359	7.0
114.02708	0.3
115.03920	0.3
119.03419	3.7
120.03742	0.2
121.02873	0.3
123.00814	0.2
123.04415	0.2
124.01562	0.3
125.02370	6.5
125.05961	0.4
125.09629	0.3
126.02798	0.2
129.01932	0.2
131.03441	0.6
133.05000	0.4
135.08095	0.6
137.02327	0.3
139.03940	0.5
139.07607	0.2
139.99359	0.2
141.01878	0.4
143.03429	2.6
143.96660	0.2
145.05005	0.2
149.04527	0.4
159.02888	0.2
159.20853	0.1
161.04500	3.6
163.09985	0.3
163.11238	3.7
164.11522	0.3
165.12814	2.2
166.13104	0.2
167.03418	0.3
171.51222	0.1
179.05559	3.5
181.04965	0.2
181.12288	0.6
185.04533	0.3
191.10742	1.2
192.44928	0.2
199.06107	0.3
203.05676	0.2
209.11823	100.0
210.12155	5.6
217.07141	1.0
219.05009	0.2
221.06673	1.3
227.12900	12.7
228.13322	0.8
235.08252	5.0
236.08502	0.3
237.22113	0.2
245.06688	0.4
251.13017	0.4
253.09438	0.9
255.23335	53.2
256.23672	4.5
259.08270	0.6
261.70306	0.2
263.07819	0.5
269.06650	0.3
269.24808	0.9
287.07870	1.9
297.24402	0.3
305.08881	2.4
323.09933	1.0
346.52921	0.2
361.11444	0.3
379.12527	8.7
380.12924	0.7
397.13593	41.6
398.13950	3.5
415.09018	0.4
415.14648	7.6
416.15085	0.7
485.50534	0.2
589.25061	0.9
607.26385	1.2
608.25763	0.2
635.36877	0.7
653.37817	1.9
654.37878	0.5
863.49500	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	852.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98724	2.5
68.01311	0.6
68.52441	0.5
69.03336	0.6
70.03945	1.1
70.04344	1.1
71.01269	3.9
83.01297	1.3
85.02853	1.1
87.00775	0.8
89.02346	1.5
95.04904	0.6
96.95915	0.7
101.02366	2.1
113.02349	1.1
118.51131	0.5
121.54144	0.5
122.92014	0.5
130.04123	0.7
141.34694	0.6
142.02762	0.5
143.04984	0.8
146.03661	5.4
146.60406	0.5
147.04436	0.9
153.09174	1.4
155.03682	0.8
155.10809	0.6
156.04527	1.4
158.03699	1.7
159.04454	5.8
160.05280	6.6
161.04565	0.8
161.05975	1.5
163.11200	0.9
167.05081	0.6
168.04518	0.8
170.96599	0.6
171.03215	5.3
171.04518	1.9
171.10211	1.5
172.05234	4.0
173.06021	2.1
174.03127	0.8
175.07559	1.0
183.03134	1.0
183.04585	1.0
184.04008	100.0
185.04497	7.2
185.06087	3.9
185.11783	0.7
186.03215	1.7
186.06815	3.3
187.03957	4.5
187.07571	2.9
188.04758	7.0
192.79694	0.6
197.04723	7.2
197.11713	0.7
198.05536	8.7
198.07010	0.7
199.04031	1.6
199.05898	0.8
199.07661	0.9
200.04782	5.2
201.05698	1.1
201.11296	1.9
208.07544	0.8
209.06049	0.8
209.11833	4.1
211.07693	0.7
212.03401	5.8
213.04193	9.4
214.06348	3.6
223.11343	0.7
225.05504	0.9
225.09198	1.0
227.10818	0.7
232.03941	0.6
235.08067	0.6
236.07448	0.6
239.10783	1.7
239.14474	0.8
241.12357	4.7
249.09163	0.8
250.12462	0.8
253.09285	1.6
255.13774	0.7
265.12332	1.4
266.12082	0.8
267.10333	8.8
267.13919	4.2
268.10947	2.8
268.13937	0.9
269.11969	2.4
276.10410	0.7
277.21790	13.3
278.22141	1.3
281.11990	1.0
283.13507	7.4
284.13690	0.8
285.11383	2.4
285.15042	4.2
287.12857	1.2
289.18231	0.7
291.19708	2.0
293.11969	3.1
293.21259	1.3
294.11472	7.1
295.12170	13.6
296.12903	2.5
301.14542	2.4
307.19208	3.6
308.19534	1.6
309.20761	2.4
310.14572	2.2
311.12958	30.4
312.13010	3.7
313.13165	2.5
320.13113	0.6
325.20425	1.3
327.21515	0.7
329.14041	5.7
330.14206	0.8
338.14063	27.3
339.14432	3.0
356.15005	2.2
403.17795	0.8
547.22144	1.2
548.21838	0.9
549.22290	1.4
565.22845	2.6
566.23901	0.8
574.23279	2.1
592.24146	9.3
593.24731	1.2
630.79248	0.6
808.43188	6.5
809.43652	5.6
810.43823	1.0
812.42963	0.6
824.46741	1.2
825.44537	21.0
825.60101	1.1
826.44849	5.4
852.45636	80.4
853.46002	26.2
853.62860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	12.6
69.03328	0.6
71.01279	13.3
71.52809	1.0
72.99192	1.4
73.02828	2.0
78.95798	0.7
83.01279	1.3
85.02833	3.3
87.00766	2.5
89.02346	9.8
95.01300	1.0
95.04881	1.2
97.02853	1.8
97.06494	2.4
99.00776	0.9
101.02357	8.9
106.68566	0.6
113.02370	4.7
119.03396	2.1
125.02377	2.0
139.73965	0.6
141.01974	0.8
143.03438	1.0
151.11237	9.4
161.04488	0.8
169.12300	37.2
170.12650	2.0
195.10248	0.6
213.11317	5.0
221.06648	1.4
235.08232	0.9
255.23338	42.7
256.23657	3.9
296.67105	0.6
397.13565	2.4
415.14862	0.8
428.09067	0.7
593.24719	0.9
594.07855	0.7
683.91016	0.7
783.77673	0.7
789.56085	0.7
849.48779	100.0
850.49176	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85738	0.7
61.98719	6.9
68.01310	1.1
69.34354	6.7
69.34762	1.4
71.01268	3.5
76.19576	0.6
78.95798	1.6
83.01295	0.8
85.02865	0.7
89.02347	2.2
94.18536	0.7
96.95919	3.0
98.19741	1.5
101.02376	1.7
110.21751	0.6
113.02358	1.8
116.92805	0.6
146.03687	6.0
147.04359	0.9
152.99547	1.2
155.03722	1.1
156.04594	0.7
158.03700	1.2
159.04472	5.7
160.05264	7.2
161.04581	0.7
161.05899	0.9
171.03209	6.4
171.10277	1.1
172.05186	3.1
173.06046	1.4
183.03189	1.1
184.04016	100.0
185.04491	7.6
185.06131	3.2
186.03348	1.2
186.06818	2.9
187.04016	3.7
187.07552	3.6
188.04771	12.3
196.05244	1.4
197.04753	7.4
197.11830	1.3
198.05522	8.1
199.03958	2.3
199.05780	0.8
199.07622	1.0
200.04865	3.1
200.08269	1.0
201.05487	1.6
208.07664	1.0
209.11847	1.7
212.03448	6.2
213.04213	8.9
214.06352	3.7
225.05591	0.8
235.08162	0.7
239.10907	1.5
239.14316	1.0
241.12361	4.9
249.12991	1.1
253.09299	1.6
265.12234	0.8
267.10422	6.1
267.13837	4.3
268.11115	1.9
269.11899	1.6
277.21875	5.9
278.22055	0.8
281.11652	0.7
283.13452	8.2
284.13763	1.0
285.11401	3.6
285.14978	3.7
287.13040	1.3
291.19705	1.7
293.11981	2.8
294.11505	5.1
295.12183	9.8
296.12778	2.0
301.14420	3.1
303.16013	0.8
307.19238	1.9
309.20877	3.3
310.14594	2.0
310.21231	1.1
311.13000	33.8
312.12830	5.7
313.13318	3.2
317.10596	0.7
325.20193	1.2
329.14063	10.7
338.10077	1.2
338.14120	17.5
339.14542	1.5
356.15005	4.0
545.30182	0.7
547.21930	1.8
548.21741	2.8
549.22491	1.8
564.24744	1.2
565.23151	6.5
566.23297	0.8
574.23187	2.6
592.24200	18.6
593.24683	3.1
797.45636	0.8
808.43420	7.3
809.43646	6.9
810.44641	1.6
824.46088	1.9
825.44592	22.0
826.44592	6.6
834.46350	1.0
852.45636	81.9
853.46039	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	2.3
62.96301	0.4
69.45836	1.9
71.01274	0.4
73.21233	0.2
78.95798	75.4
79.95625	0.6
80.96424	2.4
82.95992	0.3
92.92655	0.3
94.46932	0.2
94.98000	0.4
96.96868	17.2
116.97175	0.3
131.38235	0.2
134.97578	0.2
134.98442	1.4
136.22054	0.2
141.01631	1.7
150.97958	0.4
152.99536	20.1
153.99918	0.5
164.98610	0.4
223.00134	7.5
225.00792	0.4
230.86908	0.2
233.22606	0.2
241.01224	30.5
242.01524	1.0
253.21724	0.3
255.23347	53.9
256.23691	4.4
259.02261	2.7
259.20703	0.3
275.20090	0.3
277.21790	34.1
278.22134	3.2
297.04007	1.8
305.02301	0.4
315.05057	1.1
387.02921	0.3
391.22641	6.1
392.23026	0.4
409.23505	0.5
413.21225	1.1
414.21899	0.3
488.66434	0.2
553.27979	5.2
554.28357	0.6
571.29138	1.1
575.26257	1.4
831.50488	100.0
832.50848	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96112	1.4
66.20155	0.5
68.07245	0.5
69.95509	1.7
69.95918	0.9
71.01272	6.8
72.99190	0.5
73.02840	1.0
78.98479	6.1
79.95626	12.6
80.96410	67.8
85.02834	2.4
87.00765	2.7
94.97988	15.5
96.95918	1.2
97.02835	1.4
101.02341	2.0
106.97985	2.1
120.75244	0.6
122.97488	3.0
125.02376	2.9
127.03921	0.7
134.97501	3.7
136.99060	1.3
146.97545	0.7
148.99088	6.4
152.98582	5.9
164.98592	9.5
167.00198	0.8
196.89438	0.5
206.99617	2.7
225.00740	16.7
225.97731	0.6
226.01147	0.6
255.23436	1.1
284.33942	0.5
355.19055	0.5
462.37766	0.5
502.16772	0.5
537.27502	1.2
591.25037	1.8
847.48950	100.0
848.49426	26.2
848.64032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.8
61.98715	0.7
63.96122	1.5
69.03336	0.9
71.01271	7.9
71.33756	0.5
71.34093	0.7
72.99187	0.4
73.02837	1.4
74.52529	0.4
78.98488	6.5
79.95628	15.0
80.96413	74.8
81.03343	1.2
82.95998	1.7
84.74661	0.4
85.02830	2.9
87.00786	2.8
94.97987	16.2
95.01308	0.4
96.95931	1.2
97.02859	1.4
99.00776	0.8
101.02347	3.0
103.57311	0.5
106.97971	3.0
109.00905	0.4
122.97490	3.4
125.02390	3.1
127.03926	0.8
134.97501	4.6
136.99060	1.6
146.97447	0.6
148.99084	7.1
152.98582	6.8
160.27835	0.5
164.98584	13.6
167.00133	0.6
176.98895	0.5
206.99652	3.4
225.00751	20.3
226.01184	0.6
226.06168	0.4
227.00479	0.6
255.23340	1.7
283.05057	1.3
388.93945	0.5
531.20007	0.5
537.27460	1.5
591.24609	1.8
638.81329	0.6
745.72772	0.6
847.48914	100.0
848.49268	29.2
848.65869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	5.3
59.29850	0.4
62.78268	0.4
67.01795	1.2
69.03349	1.8
70.82503	1.5
71.01270	0.8
71.04920	0.7
77.84848	0.4
78.95799	7.6
78.96231	0.8
80.02578	1.8
81.03347	3.7
83.01283	8.0
83.04932	4.0
86.00313	0.5
93.03405	0.6
95.01283	0.7
95.04942	3.4
97.02847	4.1
97.06493	7.5
105.43862	0.4
106.04181	0.8
107.04905	0.8
108.02074	0.7
109.02888	0.8
109.06530	2.0
110.03644	0.9
110.67081	0.4
111.08080	0.6
119.08609	1.1
121.02893	0.5
121.06512	2.0
121.10183	0.7
123.04452	7.5
123.08091	4.2
125.06033	1.4
125.09646	14.4
126.09963	0.6
127.07603	0.6
135.04477	0.5
135.08112	2.6
137.06038	1.5
137.09647	7.1
141.12788	1.7
142.02634	1.1
147.11833	0.5
149.06039	2.3
150.10454	0.6
151.11235	1.1
152.99564	1.4
160.08937	0.5
161.09706	0.7
162.10483	0.7
163.07616	1.1
163.11261	13.8
164.08348	1.0
164.11588	1.0
165.09161	1.0
165.12819	3.4
167.10721	1.8
168.04314	1.5
171.10254	1.5
174.67307	0.5
175.11266	0.7
177.09164	0.6
177.12773	1.6
179.10762	1.5
181.12317	3.5
185.11815	11.7
186.12241	0.6
189.09190	0.6
189.12906	0.8
191.10736	4.8
191.14403	14.1
192.14793	1.0
197.11855	0.6
202.13744	0.6
203.14641	0.5
207.10289	8.3
209.11836	77.6
210.12140	3.4
211.13332	0.8
215.14355	0.7
217.16034	1.8
224.07025	1.1
225.11325	7.1
226.12051	0.5
227.17984	0.8
242.08055	2.6
243.17593	0.7
245.19167	28.0
246.19505	2.3
247.17116	1.0
251.13071	0.5
259.20560	0.8
263.20248	2.3
271.17084	2.9
277.21796	88.5
278.22128	7.3
279.19812	0.7
289.18173	95.2
290.18518	8.8
307.19235	100.0
308.19556	9.2
340.29056	0.5
436.12137	0.5
502.29544	47.3
503.29956	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	817.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01599	1.2
61.98721	12.6
69.03351	0.3
71.01279	3.1
72.99197	0.3
73.02848	0.4
78.95805	1.3
79.55025	0.3
80.96423	1.0
85.02834	0.6
87.00786	0.6
89.02328	1.7
95.01278	0.4
95.86994	0.3
97.02866	0.9
99.00777	0.4
101.02356	2.1
113.02370	0.8
116.28111	0.3
116.92776	0.6
119.03450	0.8
125.02380	0.8
129.83606	0.3
141.01637	60.0
142.01993	1.2
143.03452	0.7
153.58894	0.3
197.11826	1.7
209.11812	1.7
235.08313	0.7
243.04837	0.5
253.09326	0.6
277.21793	6.3
277.24762	0.3
278.22153	0.8
281.39444	0.3
287.07877	0.3
291.20007	0.4
293.21283	0.8
305.08881	0.3
309.20877	0.8
311.22217	0.7
359.22165	4.3
360.22424	0.7
397.13617	10.8
398.13892	1.1
415.14471	1.7
419.11902	2.0
437.12854	4.1
473.33014	0.4
675.35913	1.0
697.34088	2.8
698.34174	0.9
784.05243	0.3
817.38556	0.7
817.51599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27830	0.4
59.01268	4.5
61.98726	1.9
63.17140	0.3
69.61193	2.8
71.01262	3.5
73.02856	1.1
76.04649	0.3
78.95797	13.0
79.95621	0.5
80.02583	1.0
80.96419	0.7
81.03345	1.2
83.01254	0.7
83.04913	3.7
84.02075	0.5
85.02843	1.0
87.00779	0.6
88.98711	0.5
89.02348	1.6
95.04946	0.7
96.95905	0.4
96.96883	3.1
97.02899	0.5
101.02341	2.6
102.48930	0.3
106.84477	0.4
109.06518	0.5
113.02356	1.3
113.80853	0.3
115.74313	0.3
120.41215	0.4
125.09652	0.4
127.11149	0.5
135.08075	0.4
135.63885	0.4
148.30017	0.3
152.99559	3.4
161.04527	1.4
163.11217	3.2
165.12846	2.5
171.10225	8.7
172.10541	0.5
174.61902	0.3
179.05470	0.4
185.11838	0.3
191.10757	1.0
199.09741	1.1
201.11328	1.0
207.10304	1.2
209.11829	100.0
210.12152	6.7
215.12866	0.4
223.00131	1.0
225.11470	1.1
227.12888	12.6
228.13229	0.6
235.08273	4.1
236.08626	0.4
241.01219	7.6
242.01526	0.5
253.09348	8.5
255.23346	8.2
256.23654	1.1
259.02426	0.5
261.13766	0.4
277.21796	85.8
278.22134	8.5
315.05072	0.4
391.22809	0.5
445.20721	2.9
475.39175	0.4
513.31061	1.8
578.51050	0.4
725.38873	8.5
726.39502	1.5
779.40643	0.8
797.40991	4.8
798.41333	1.1
815.42291	3.0
816.42371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.8
57.30284	0.5
59.01262	0.8
61.98717	2.0
66.87095	0.6
69.36801	4.1
71.01279	1.4
75.00768	1.3
78.95760	0.7
84.08678	0.5
85.02831	1.0
88.22730	0.5
89.02381	0.6
93.03355	4.9
95.04935	0.5
95.56477	0.5
96.95928	1.9
99.17345	0.5
101.02379	0.9
108.02078	0.9
109.02888	1.2
109.98949	0.5
111.00806	1.5
121.02889	4.9
122.03655	15.3
123.04441	1.5
124.01585	0.6
129.01888	3.3
133.02890	1.7
134.03708	0.9
135.02948	2.5
135.04489	0.6
136.01617	4.9
137.02391	3.9
139.03978	0.8
146.03683	0.8
147.04407	0.6
149.02382	25.0
149.05989	1.1
150.03169	100.0
151.00334	2.4
151.03958	8.9
152.01062	0.6
153.01964	0.6
159.04419	0.6
162.03136	0.9
164.04713	5.3
165.01854	2.3
165.05527	95.5
166.02716	5.4
166.05846	4.4
167.03430	1.1
175.03978	0.8
177.01834	0.6
177.05551	1.3
179.03450	0.7
179.07103	5.9
180.04259	8.1
181.05019	7.8
187.04013	0.8
192.04309	0.6
193.05032	0.6
195.06613	74.1
196.07002	3.6
205.05031	1.6
225.07681	1.1
228.89374	0.5
327.21759	1.0
357.09851	0.7
373.13205	0.6
387.14850	4.2
402.13132	0.8
417.15610	7.0
418.15973	0.7
514.54260	0.5
565.21021	12.0
566.21399	1.7
595.21954	1.9
613.23132	4.4
614.23914	1.1
713.26324	1.2
743.26532	0.7
761.28528	1.8
809.30432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.5
57.62448	0.1
58.00473	0.2
59.01256	0.5
60.97744	0.2
61.98700	0.7
69.03360	1.2
70.50094	0.3
71.01258	0.8
73.02846	0.2
78.95797	0.2
81.03345	0.2
83.01263	0.2
83.04919	0.7
84.02044	0.2
85.02847	5.5
86.03172	0.2
95.04926	0.7
96.95914	1.3
97.02856	0.7
97.05876	0.2
97.06499	2.7
98.06836	0.1
99.08009	0.2
108.16996	0.1
109.06475	0.2
110.03616	0.3
119.08551	0.4
122.74834	0.1
123.00771	0.3
123.04427	0.1
123.08080	0.2
124.01601	0.2
125.09654	0.9
127.11215	1.2
134.71739	0.1
135.21269	0.1
137.09656	1.6
153.09093	0.2
155.10707	0.6
155.14420	0.3
163.11249	0.3
165.12790	0.7
167.14377	0.6
171.10225	16.2
172.10609	0.7
177.12833	0.7
181.12341	0.4
183.13876	2.6
185.11832	1.1
188.24069	0.1
193.12306	0.9
195.13918	0.2
197.11794	0.5
199.13368	0.3
201.11293	0.5
203.10783	0.2
209.11865	1.4
211.13390	14.6
212.13701	0.9
221.11835	2.8
222.12270	0.2
227.12848	0.4
229.14462	9.7
230.14833	0.8
239.12889	2.0
240.13416	0.2
247.20645	0.5
273.18674	0.3
291.19724	2.8
292.19995	0.3
309.20709	0.8
325.23209	0.2
327.21832	100.0
328.22174	9.9
501.31085	0.4
519.31787	0.4
701.70526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.2
59.01264	1.7
61.98720	0.4
67.01774	0.1
69.03328	0.3
69.73925	0.1
71.01285	0.5
71.04910	0.2
71.93084	0.1
78.95806	0.4
80.96440	0.7
81.03326	0.1
83.04919	0.6
87.00804	0.1
89.02341	0.2
93.03380	0.2
94.97965	0.1
95.04934	0.8
97.06504	0.3
99.86347	0.1
101.02317	0.2
107.04971	0.2
108.17854	0.1
109.06509	0.5
111.08075	8.3
112.08396	0.3
113.09657	0.6
115.05855	0.1
121.06564	0.2
123.08108	0.2
135.08040	0.1
135.11726	0.4
137.09659	0.7
138.24597	0.1
139.11250	0.2
141.09105	0.2
149.09668	0.5
149.13264	0.1
152.99576	0.1
153.09177	0.1
155.10732	0.1
159.11699	0.2
161.09596	0.1
163.11362	0.1
165.12779	0.2
167.10741	2.0
169.12367	0.2
177.12846	1.7
179.10748	1.9
193.12251	0.1
193.16023	0.2
195.13896	5.8
196.14255	0.3
203.14420	0.4
219.17499	0.1
221.11789	0.1
225.00934	0.1
229.19485	0.1
247.20721	2.3
248.21098	0.1
253.09360	0.7
273.18680	1.2
277.21811	4.8
278.22174	0.4
291.19742	100.0
292.20087	8.1
361.46408	0.1
616.01398	0.1
647.17175	0.1
805.40149	0.6
806.41150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21381	0.5
58.00455	0.5
59.01267	15.7
61.98715	0.6
69.03328	0.7
71.01270	4.1
71.62099	0.8
71.62476	0.8
74.57664	0.6
78.95789	0.8
78.98489	1.8
79.95641	3.6
80.96414	17.7
81.95187	0.6
82.95993	3.8
83.01301	0.7
85.02847	1.3
87.00772	1.3
89.02351	1.9
90.42634	0.6
94.97997	4.4
96.97571	1.2
97.02839	0.6
99.04408	0.6
101.02348	2.6
106.98022	0.9
113.02342	1.2
121.59804	0.5
122.97474	0.7
125.02363	1.1
132.63992	0.5
134.97485	1.4
148.99089	1.8
152.98538	1.6
161.04497	1.4
161.52119	0.5
161.90047	0.6
164.98613	3.3
165.98747	0.6
173.36752	0.5
179.05540	0.6
183.13863	5.3
188.91661	0.5
193.12347	1.6
204.34082	0.5
206.82352	0.7
206.99628	0.7
211.13397	100.0
212.13721	6.5
225.00742	5.5
226.00981	0.7
227.00211	0.7
235.08235	1.5
253.09300	5.4
255.23381	0.6
255.54730	0.6
277.21793	51.6
278.22238	5.1
319.57242	0.5
399.03256	0.5
429.21487	2.1
447.22482	9.2
448.22797	0.6
513.30780	1.2
709.38788	7.5
710.38623	1.2
750.19305	0.6
781.41016	1.7
799.43585	17.0
800.43658	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	787.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.6
61.98710	1.6
71.01273	7.5
71.62846	1.1
72.99191	0.6
73.02826	1.1
78.95789	1.4
80.02570	1.1
81.03373	1.3
83.01313	1.4
83.04922	4.8
84.02096	0.9
85.02873	1.3
87.00772	1.5
89.02328	2.9
95.04935	1.0
96.95911	1.2
97.06507	1.0
101.02351	4.4
102.88821	0.6
109.06522	0.9
111.08041	0.7
113.02357	2.9
113.09604	1.0
115.07549	0.8
119.03425	0.7
135.08047	0.9
141.09149	0.7
161.04482	1.5
163.11203	3.7
165.12787	4.2
165.37170	0.8
167.14307	0.7
171.10211	3.2
177.09189	0.7
179.05594	1.0
181.12306	2.6
183.13815	0.8
191.10756	1.4
193.12367	0.8
193.15930	0.9
195.13873	1.3
197.11830	1.4
199.13451	0.8
201.11334	2.7
207.10297	0.8
209.11827	100.0
210.12167	5.1
211.13400	2.1
221.15492	1.7
225.11304	1.2
227.12881	16.3
229.14536	0.7
235.08290	3.8
241.14691	0.9
247.20793	3.2
253.09319	10.8
259.15677	0.7
273.18631	2.2
281.21280	0.8
289.18188	1.1
291.19754	27.9
292.20035	2.7
293.21262	0.8
307.19080	0.7
309.20795	71.1
310.21152	5.6
311.22275	0.8
312.45029	0.6
323.22290	1.9
445.20618	1.7
461.20978	0.7
518.54303	0.9
527.28381	3.3
545.29785	15.2
546.30005	2.0
719.39911	1.1
737.41370	5.4
738.41791	1.2
755.41913	3.2
756.43195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11729	17.1
60.89505	14.0
61.82329	15.0
61.98698	16.9
62.34758	13.1
69.94724	31.9
69.95135	70.7
72.38239	15.7
72.50877	14.8
73.74499	14.1
78.95793	38.6
80.96398	29.4
96.92833	17.5
98.20515	20.0
107.54645	16.0
111.11718	18.3
126.40809	15.7
152.99522	30.0
188.80067	17.3
209.11871	100.0
277.21783	92.0
290.26419	16.5
495.72815	15.3
508.14334	20.8
791.49103	27.2
792.43866	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	795.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01609	1.4
61.98713	0.7
70.71457	0.7
70.71831	0.7
71.01276	2.4
85.02857	0.8
87.00781	0.6
89.02304	2.2
97.02879	0.5
98.99278	0.4
101.02359	1.6
113.02419	1.0
119.03442	0.7
125.02376	0.9
129.02946	0.4
141.01636	60.1
141.60703	0.4
142.01970	1.0
158.77560	0.4
172.24307	0.3
194.33621	0.3
209.11958	0.4
235.08311	0.9
243.04935	0.8
255.23334	6.0
287.07886	0.4
305.09158	0.4
337.23669	4.3
384.81729	0.4
397.13614	9.5
398.13580	0.4
415.14548	1.8
419.11731	1.9
437.12875	2.8
653.37469	2.2
675.35889	3.7
676.36017	0.5
770.89252	0.4
815.97504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
66.90936	0.3
69.47639	2.6
78.95798	41.4
83.13427	0.3
89.02349	0.3
96.96868	100.0
146.02415	1.3
152.82124	0.3
171.65683	0.4
243.17603	0.3
290.70929	0.3
317.05637	0.4
439.08685	31.9
440.08792	1.8
442.97775	0.4
454.34186	0.4
496.52942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.7
59.17929	0.3
59.75009	0.3
61.71339	0.3
61.98734	1.1
71.01273	0.6
71.16686	0.3
71.53113	0.4
78.95817	0.4
80.96535	0.3
91.01775	0.3
108.90118	1.0
115.97199	0.3
120.02085	0.3
121.02883	100.0
122.03220	4.2
129.01808	0.3
154.07249	0.3
163.11343	0.3
165.01903	2.4
181.06540	2.5
181.12350	0.3
190.85703	0.3
191.03493	2.9
197.11823	2.9
207.10388	0.4
209.04559	73.6
209.11865	0.7
210.04878	4.1
211.13484	0.5
225.05605	2.7
225.11342	0.5
242.40405	0.4
291.19763	0.6
309.20892	1.1
313.07306	4.9
314.07663	0.5
357.06241	2.1
401.08881	11.5
401.14145	0.6
402.09164	1.1
549.10553	0.7
575.12024	0.4
673.84418	0.3
741.16046	0.6
753.41693	0.4
785.17749	2.0
785.41321	0.5
786.17767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02866	5.1
58.99480	0.6
59.01245	0.5
66.03353	0.5
66.72638	0.4
70.02867	0.4
71.01277	0.5
71.60011	0.6
72.00793	0.7
74.02363	12.1
81.04488	0.5
82.02872	1.6
86.02374	5.5
86.06013	0.9
86.98988	1.1
87.05543	2.0
90.00096	1.1
90.68425	0.3
95.14056	0.3
96.04437	0.5
97.03985	1.2
99.04927	0.8
99.05546	9.9
100.00311	0.6
101.07099	1.8
102.05508	1.5
107.06042	0.6
109.03983	1.7
109.07655	0.6
111.05549	0.7
112.03943	1.3
116.01643	0.8
123.05556	1.1
124.03960	0.7
125.02329	1.1
125.03471	1.3
126.01899	0.6
127.05056	2.4
127.08668	0.7
128.03467	29.5
129.03815	0.9
130.05034	0.4
131.04524	0.4
135.05588	3.0
136.05855	0.4
137.07129	0.7
139.05136	0.5
141.06618	1.6
143.04562	38.9
144.04921	0.6
145.06090	2.3
146.04564	3.5
151.89244	0.4
153.06654	2.6
155.08177	0.7
160.00693	9.0
166.09799	1.8
167.04602	3.0
167.08217	1.5
170.03329	0.6
171.04031	0.7
171.07689	1.1
177.01958	0.6
177.03352	3.6
179.04594	10.5
181.06166	1.3
185.05614	2.2
191.05612	0.7
192.07704	0.8
193.06030	0.4
197.05675	0.9
198.08716	0.5
199.07220	0.7
199.13383	0.5
207.10297	0.4
210.08846	8.6
214.93985	0.4
228.09787	0.8
236.06580	0.5
242.07959	0.8
244.09312	0.5
253.09290	0.4
254.07875	11.5
255.08229	0.8
272.08945	19.2
273.09229	0.8
288.06714	4.9
289.56592	0.4
304.06183	1.1
305.08783	0.6
306.07727	100.0
307.08047	5.7
307.14005	0.5
314.08328	0.6
316.02377	0.7
329.70218	0.4
332.09265	6.5
424.13412	0.4
459.10822	0.4
463.90500	0.3
479.08475	1.1
479.21545	0.5
631.60236	0.4
786.29852	7.4
787.30695	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	773.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
61.98719	0.7
64.98777	0.1
69.59125	0.6
71.01261	0.7
78.95799	5.3
79.95633	3.1
88.56890	0.1
94.92410	0.2
96.95921	100.0
96.96813	6.3
97.02805	0.1
97.95834	0.5
98.02386	0.2
99.39771	0.1
118.96564	0.2
130.54228	0.1
152.99532	0.2
169.12332	0.1
171.10220	0.3
185.11874	0.1
197.11839	0.2
201.11353	0.1
207.10316	0.2
209.11823	0.4
215.13515	0.1
217.00186	0.1
225.11401	0.2
253.09418	0.2
276.77499	0.1
277.21866	0.2
283.41916	0.1
293.21436	0.4
294.78937	0.1
299.03174	0.1
307.22040	0.1
310.21616	0.1
311.22540	0.2
314.26471	0.1
328.22272	0.1
397.13559	0.2
407.17780	0.2
435.08450	0.3
453.09479	0.4
614.26422	0.1
713.31030	0.8
773.43030	0.6
774.42926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31057	0.1
59.01258	0.2
59.02532	0.1
61.98722	0.1
62.96281	0.1
78.95798	8.0
79.95628	2.5
80.14722	0.1
83.02380	0.1
83.04902	0.1
86.10203	0.1
89.02328	0.1
93.46015	0.1
96.95921	100.0
96.96819	11.1
97.95861	0.3
98.02376	0.8
98.03560	0.1
98.20567	0.2
99.01911	0.1
101.02362	0.1
123.04440	0.4
136.05205	0.1
137.02370	0.1
151.03976	0.4
154.36690	0.1
164.04674	0.1
165.05502	0.8
166.06313	5.7
167.06662	0.3
179.07103	0.3
181.08687	0.4
192.04280	0.8
207.06636	1.0
210.05328	8.8
211.05681	0.5
225.07693	10.7
226.07996	0.8
267.08701	0.1
269.01120	0.1
387.13074	12.6
388.13403	1.4
479.57251	0.1
589.46210	0.1
653.29321	0.1
716.50800	0.5
775.47284	0.6
776.47534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
57.03316	0.8
59.01266	4.7
61.98719	7.0
71.01272	4.4
71.04904	1.2
71.62746	0.6
73.02836	0.7
78.92152	0.4
78.95790	1.0
80.02577	1.3
81.03352	1.8
83.01292	0.8
83.04914	5.7
84.02047	1.3
85.02843	1.3
87.00761	1.1
89.02335	3.1
95.01282	0.5
95.04919	1.2
96.95938	2.0
97.02857	0.4
97.06471	0.7
99.00758	0.5
99.04384	0.6
101.02351	4.1
105.61237	0.4
109.06509	1.4
111.08056	0.5
112.05164	0.4
113.02350	2.1
115.07574	1.0
119.03462	0.7
123.04476	0.5
125.02376	0.9
125.06018	0.8
125.09632	2.9
127.07569	1.7
135.08096	1.5
137.09599	0.5
141.09134	0.7
143.03473	0.6
149.09671	0.4
150.27724	0.4
152.99551	0.7
153.09157	6.8
155.10715	0.9
161.04504	1.5
163.11227	5.2
165.12822	3.1
166.12871	0.5
171.10225	15.3
172.10567	0.7
178.09969	1.3
181.12334	1.2
183.13898	0.6
185.11807	3.2
185.15460	0.4
191.10759	2.0
191.14412	0.8
197.11835	3.6
199.13376	0.5
201.11250	2.0
207.10294	1.3
209.11829	100.0
210.12180	6.7
211.13414	0.9
221.11890	0.5
223.13602	0.6
225.11331	1.4
227.12910	14.2
228.13264	0.7
235.08270	2.9
237.14977	0.5
238.12109	1.0
239.12895	0.6
244.05379	0.5
245.19017	2.1
250.75809	0.5
253.09340	9.3
253.18292	0.5
289.18204	8.0
290.18460	0.7
291.19766	1.4
297.20734	0.7
307.19238	30.7
308.19528	3.5
309.20767	3.0
325.20291	14.7
325.24158	0.6
326.20505	0.9
327.21942	0.6
345.20859	0.8
363.21671	0.5
407.19315	1.0
445.20877	1.1
473.86707	0.4
517.31812	0.7
525.27228	1.8
543.28143	8.3
544.28516	1.0
561.29364	2.1
577.24933	0.5
666.32599	0.6
684.33771	1.3
735.39825	3.6
736.13617	0.5
736.40399	0.9
747.17993	0.4
753.41083	5.8
754.41168	1.6
771.42285	2.5
772.43182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.2
61.98705	0.2
65.77193	0.1
66.47771	0.1
70.73849	0.2
70.74198	0.1
71.01271	0.8
78.95800	5.9
79.95171	0.2
79.95634	2.8
85.02855	0.1
96.95921	100.0
96.96816	7.2
97.02889	0.1
97.95813	0.4
98.02393	0.2
101.02373	0.1
108.63033	0.1
118.96571	0.1
125.02411	0.1
137.31374	0.1
153.92372	0.1
163.11275	0.1
169.12193	0.1
171.10263	0.6
175.65398	0.1
179.28291	0.1
197.12106	0.1
201.11310	0.2
207.10306	0.2
209.11848	0.5
211.13388	0.1
225.11336	0.2
227.12895	0.1
229.14342	0.1
233.46620	0.1
235.08348	0.1
253.09392	0.1
277.21899	0.2
291.19806	0.2
293.21313	0.1
309.20599	0.1
311.22577	0.4
361.04721	0.1
375.93655	0.1
397.13647	0.1
407.17706	0.3
435.08438	0.3
453.09360	0.5
617.39374	0.1
713.30475	0.6
714.32013	0.1
755.43054	0.1
773.43329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83693	1.4
58.53605	1.5
59.01266	3.4
59.08537	1.7
60.42403	1.5
60.99186	11.4
61.98723	13.7
64.31550	1.7
69.03329	1.9
71.62614	2.1
72.99200	73.6
75.00759	3.2
81.03355	15.1
83.04462	3.1
83.04921	41.9
84.05287	2.2
88.00294	3.0
88.98707	100.0
89.02349	11.2
89.99020	9.2
90.01848	3.2
90.02658	2.2
90.22493	1.4
90.99126	6.6
91.00264	3.7
92.02460	2.5
96.95924	1.7
97.68464	1.8
98.02377	2.4
107.05960	1.6
108.04439	1.7
109.02885	1.6
123.00738	2.2
125.07132	3.3
126.05565	2.3
184.20012	1.8
207.15105	3.2
224.17715	6.5
225.16080	26.8
226.16408	3.6
284.38809	1.8
292.46609	1.8
333.23074	3.6
341.29257	2.4
351.24167	1.9
367.27109	2.3
376.88342	1.5
387.13535	1.7
433.31616	2.1
450.34619	3.8
451.32907	11.8
466.74091	1.6
559.39856	5.9
595.42474	3.0
609.17401	1.7
673.47034	17.3
674.46814	5.9
675.48279	36.6
676.48572	27.6
677.49817	89.6
678.50092	19.1
679.49084	3.0
691.36853	3.0
691.47992	33.1
692.48083	19.9
693.48035	2.4
709.49542	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	765.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14266	1.6
57.03336	4.2
59.00996	2.9
59.01268	38.6
61.98723	26.5
69.03339	2.0
69.24435	2.1
69.24779	20.5
71.01273	31.4
72.99187	4.5
73.02837	4.6
75.00760	4.9
78.95809	2.1
81.03361	4.4
82.30264	1.7
83.01279	6.9
83.04934	2.2
85.02845	7.4
87.00775	4.6
88.39788	1.6
88.98708	2.4
89.02337	24.5
95.01315	2.4
96.95924	4.8
97.02844	5.7
97.06520	4.7
101.02352	24.8
109.02869	2.5
113.02365	10.8
119.03429	8.2
122.04681	2.3
123.04420	3.9
123.08057	2.3
125.02375	9.8
125.09630	9.3
137.09628	5.8
141.12878	1.9
142.02602	2.0
143.03448	4.8
161.04475	5.4
163.11234	9.7
167.03416	2.3
179.05591	6.1
181.12360	2.3
185.11795	7.5
191.14409	8.7
201.80533	1.8
207.10301	4.9
209.11826	34.8
210.12100	3.4
211.13478	2.3
225.11275	4.0
226.11693	2.3
227.10243	1.7
227.12924	6.7
235.08264	8.1
237.11383	3.7
245.19125	13.4
249.57230	1.8
253.09329	2.5
263.20367	2.2
271.16986	3.9
289.18176	75.4
290.18503	6.6
305.08914	3.2
307.19238	100.0
308.19498	10.7
318.02371	1.8
323.09869	2.7
378.03378	1.9
397.13586	64.4
398.13956	6.5
415.14734	51.0
416.15216	4.1
546.20844	2.4
607.26343	3.2
687.33783	2.5
705.33307	9.6
706.31989	2.4
729.41406	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	767.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
57.71392	1.0
59.00992	1.5
59.01269	21.8
61.98719	56.5
63.96107	1.2
71.01275	23.4
71.54037	1.9
71.92301	1.1
72.99207	2.0
73.02834	2.5
78.98479	2.9
79.51333	1.1
79.95628	25.3
80.96408	27.1
81.03326	1.3
85.02869	5.7
87.00762	4.6
88.98691	1.6
89.02336	12.6
94.97984	7.3
96.95932	8.9
97.02845	3.0
99.00772	1.7
101.02362	12.6
111.08073	12.5
112.08409	1.1
113.02357	6.1
119.03424	4.8
121.02927	1.6
122.97498	2.8
125.02384	6.2
134.97495	3.3
136.99107	1.5
137.09628	1.4
143.03442	2.7
146.08183	1.2
148.99075	2.4
152.98563	3.2
153.12787	1.4
156.82562	1.1
159.18497	1.1
161.04547	2.0
164.98560	6.8
169.12296	4.7
169.96858	1.2
171.10126	1.3
174.16878	1.1
179.05574	4.1
197.11826	49.0
198.12119	1.4
199.13341	2.7
206.99744	2.0
209.11873	2.6
211.13379	4.8
225.00745	12.7
227.12758	2.3
235.08214	3.3
243.01767	1.4
253.09416	1.5
263.20178	2.5
266.37747	1.0
291.19711	12.3
299.04526	2.6
309.20801	100.0
310.21091	11.2
357.27292	1.4
371.06424	1.8
397.13593	30.4
398.14023	2.2
415.14661	38.8
416.14767	2.0
481.17523	1.4
591.24799	2.4
593.26593	12.5
594.26196	2.5
687.39948	2.4
705.40631	1.5
707.34741	5.8
729.67230	1.3
749.28394	1.6
767.28198	38.3
768.28210	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	767.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30354	1.9
55.01759	2.1
57.03332	1.8
59.01271	25.6
61.98730	15.8
71.01275	23.4
71.52602	4.6
73.02838	4.7
75.00798	2.8
81.03370	1.9
82.28651	2.1
83.01287	5.7
83.04917	2.2
85.02853	6.7
87.00787	3.9
89.02333	18.0
91.28769	2.1
96.95919	3.9
97.02836	2.8
97.06476	2.3
99.00750	2.3
101.02352	19.5
109.06451	2.7
110.79385	2.0
113.02355	9.7
116.09947	2.0
119.03429	6.9
125.02371	8.2
125.09633	5.7
139.11270	3.2
143.03398	3.4
161.04494	3.7
165.12823	10.3
167.10736	2.3
179.05566	5.4
192.08026	2.0
193.15939	4.3
207.10110	3.4
209.11853	27.3
221.06639	2.3
235.08282	7.7
247.20799	11.1
253.09286	3.0
265.21826	6.6
288.25610	2.5
291.19748	57.3
292.20035	6.3
308.82050	2.0
309.20801	100.0
310.21164	8.3
311.22488	2.2
339.75165	2.3
397.13638	45.4
398.13797	6.5
415.14731	36.8
416.15341	2.7
607.26056	3.3
707.35272	7.4
767.38037	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	765.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.4
60.99195	17.3
61.98717	0.7
71.01273	0.5
72.99187	0.4
80.96384	0.2
87.00780	2.0
88.00303	2.9
88.98706	100.0
89.02342	12.9
89.02908	0.5
89.99035	1.0
94.67686	0.2
95.00607	0.2
137.28944	0.2
171.65112	0.2
203.37547	0.2
277.21973	0.5
397.13544	1.1
646.63837	0.2
765.37775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.5
60.99195	16.4
61.98711	0.8
64.21930	0.3
64.46971	0.4
71.34666	0.3
71.59014	0.4
72.88444	0.4
87.00778	1.2
88.00307	3.3
88.01118	0.4
88.98705	100.0
89.02337	9.0
89.99036	0.8
91.84680	0.4
126.03705	0.4
154.44812	0.4
206.57860	0.4
209.11929	0.8
222.58266	0.4
223.13388	0.6
397.13501	1.1
454.55597	0.5
513.15192	0.4
647.06537	0.5
672.46643	0.4
765.39563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95581	0.8
55.01767	1.3
57.03328	3.3
58.00481	1.5
59.01268	37.2
61.98714	4.8
69.03333	1.0
70.92200	1.8
71.01270	31.4
72.99189	2.2
73.02850	4.2
75.00745	2.1
78.95821	0.8
79.09991	0.8
81.03352	3.5
81.61428	0.8
83.01291	6.4
83.04897	2.1
85.02848	6.1
87.00780	5.6
88.98704	1.2
89.02339	26.7
95.01321	2.0
95.04924	2.0
96.95918	1.5
97.02850	5.9
97.06490	5.3
99.00774	2.6
99.08376	0.8
101.02349	24.1
111.10170	0.8
113.02367	9.9
119.03450	6.4
121.06583	1.9
123.04455	4.4
123.08067	1.6
125.02361	9.6
125.05982	1.0
125.09644	7.8
131.03473	1.4
133.05000	0.8
137.06071	1.2
137.09618	3.9
141.12851	1.3
143.03452	4.2
149.05962	1.0
149.09692	1.0
151.11201	0.8
161.04485	5.4
163.11234	9.6
165.09201	1.3
165.12822	1.4
174.53618	0.8
177.12852	1.0
179.05582	6.7
179.10754	1.2
181.12302	1.7
185.04582	1.1
185.11812	8.8
189.12883	1.1
191.10762	1.1
191.14389	8.3
195.86401	0.8
207.10289	4.7
208.10638	0.8
209.11835	24.9
209.92604	0.8
210.12198	1.7
211.13461	4.3
217.07214	0.8
217.16060	0.8
221.06715	2.7
225.11333	4.5
227.12883	0.8
235.08270	8.4
237.11377	2.9
245.19128	20.5
246.19441	1.8
253.09296	3.0
263.07791	0.9
263.20230	4.5
271.17084	2.4
281.21170	1.1
287.07791	0.9
289.18176	78.4
290.18484	7.0
305.08798	2.1
307.19232	100.0
308.19614	8.5
323.10138	1.6
325.20172	1.0
379.12656	1.2
397.13608	56.5
398.13803	4.7
415.14667	50.3
416.15060	3.6
461.22787	1.2
507.42285	0.8
607.26178	4.1
687.32422	2.2
705.33405	8.7
706.34497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.9
58.00460	1.0
59.01268	8.6
59.29127	0.8
61.98718	1.4
71.01275	100.0
71.53291	1.2
72.01617	2.1
73.02859	2.3
78.95797	18.3
83.04938	1.5
87.00774	1.8
89.02334	2.2
97.02872	1.4
101.01769	0.8
101.02331	4.3
107.79444	0.7
109.06514	3.3
113.02370	2.1
114.93349	0.8
118.59484	0.8
125.09661	1.9
127.11231	2.1
152.99536	10.3
155.10667	1.4
161.04486	2.0
163.11246	3.5
171.10236	72.6
172.10596	3.7
181.08714	1.0
181.12331	2.1
189.09346	0.9
197.11829	2.4
199.09775	9.6
199.13426	1.1
201.11290	7.8
207.10277	12.1
208.10715	1.0
211.13380	1.1
225.11348	8.5
235.08238	5.4
243.12273	1.1
253.09354	11.0
259.20615	0.9
277.21802	97.9
278.22177	10.0
279.22565	0.8
293.21240	2.2
302.27887	0.9
311.22369	2.2
435.19147	1.3
445.20108	3.6
447.21698	2.8
461.20218	2.7
463.21426	1.1
679.00183	0.8
721.41766	3.1
722.41663	1.4
739.43146	1.6
757.43396	20.7
758.43896	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	755.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
55.98824	0.2
57.03336	0.7
58.00480	0.4
59.00986	0.4
59.01270	5.3
61.67755	0.2
61.98724	1.2
69.03342	0.5
71.01275	5.7
71.04907	0.3
71.49566	0.6
73.02831	0.8
80.02584	1.1
81.03345	1.2
83.01291	0.9
83.04918	5.1
84.02068	0.6
85.02843	1.3
87.00779	0.9
89.02342	3.3
93.03310	0.2
95.01300	0.5
95.04927	1.1
96.95921	0.6
97.02862	0.6
97.06483	0.9
99.00795	0.8
99.04462	0.3
101.02348	3.9
106.04138	0.4
109.06494	0.6
111.00796	0.3
111.04428	0.3
111.08081	0.8
112.05254	0.2
113.02360	2.2
113.09617	1.2
115.07562	0.6
117.96971	0.3
119.03415	0.8
120.67304	0.2
121.06579	0.2
123.04425	0.4
125.02382	0.4
125.06014	1.0
125.09658	0.8
127.11239	0.3
135.08110	0.6
137.02324	0.4
137.09647	0.3
139.11244	0.4
141.09158	0.9
145.04985	0.7
147.11740	0.3
149.09622	0.3
151.11261	0.6
161.04515	1.9
163.11240	4.2
164.11615	0.4
165.12805	4.5
166.13190	0.3
167.10771	0.5
167.14334	1.2
169.12286	0.6
171.10226	2.6
175.11444	0.3
177.12843	0.3
179.05562	0.7
179.10742	0.3
181.12350	2.8
182.71860	0.3
183.13861	0.6
191.10750	0.8
193.12340	1.0
193.15930	0.5
195.13919	1.7
197.11844	0.8
199.13417	1.4
201.11353	1.9
207.10341	1.2
209.11830	100.0
210.10297	0.5
210.12178	5.9
211.13393	3.1
213.11220	0.3
213.14984	0.3
221.15501	1.7
223.13387	0.3
225.11307	1.7
226.00665	0.2
226.11548	0.3
227.12903	18.9
228.13248	0.8
229.14401	1.1
235.08246	3.9
236.08647	0.3
240.13712	0.4
241.14507	0.3
243.12408	0.4
247.20711	2.5
248.20895	0.3
253.09326	11.7
254.09673	0.6
255.15884	0.4
263.16711	0.3
263.20126	0.6
273.18631	1.8
281.21368	0.9
289.18188	0.5
291.19736	26.7
292.20206	2.2
293.21310	1.1
307.19205	0.8
309.20792	66.0
310.21158	5.9
311.22363	1.0
327.21808	0.3
329.21039	0.6
347.22498	0.8
445.20932	1.2
447.28177	0.2
463.21762	0.5
470.44662	0.3
501.32556	0.7
527.28564	2.4
528.29126	0.3
545.29852	9.1
546.30078	1.8
686.35797	0.3
719.39893	1.2
737.41382	3.8
738.41864	0.7
755.29980	0.4
755.42328	5.0
756.30444	0.3
756.42926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	0.7
58.54317	0.4
59.01266	19.5
61.98424	0.7
61.98721	8.4
62.86432	0.4
63.22902	0.4
66.48501	0.4
69.03335	1.5
69.96975	0.4
71.01274	16.6
71.52385	0.5
72.55130	0.5
72.99191	1.6
73.02844	2.5
75.00761	0.4
77.06080	0.5
78.87648	0.4
78.95782	0.6
79.86220	0.4
81.03385	0.6
81.28521	0.4
83.01295	1.3
85.02846	4.1
87.00766	4.1
88.98708	0.7
89.02342	12.9
95.01286	1.1
95.04926	0.4
96.34948	0.4
96.95905	2.2
97.02863	2.2
97.06497	0.4
99.00787	1.2
101.02345	12.3
102.02693	0.5
106.30299	0.5
111.00793	0.6
111.80431	0.4
113.02377	6.2
115.03901	0.4
115.07553	2.0
119.03439	4.1
119.04912	0.5
123.04413	0.4
125.02371	5.9
131.03441	0.7
133.51936	0.5
143.03453	2.3
148.08861	0.5
150.10434	1.0
154.18904	0.4
161.04485	2.5
163.11244	1.5
165.05618	0.5
165.12810	16.6
166.13098	0.7
171.10255	1.3
175.11224	0.6
179.05598	2.6
191.03426	0.4
191.14285	0.9
197.11801	0.7
201.62921	0.4
209.11780	2.8
217.07202	0.5
217.15831	0.5
221.06693	1.2
225.11462	1.0
227.13054	0.9
235.08237	6.8
247.20721	8.5
248.21107	0.9
249.44737	0.5
253.09337	2.1
263.07742	0.4
270.00919	0.5
273.18646	6.1
274.19043	0.7
287.07843	1.8
291.19745	100.0
292.20050	9.9
305.08823	1.8
397.13620	54.6
398.13983	4.2
415.14673	27.7
416.14951	3.3
436.22565	0.5
544.84241	0.5
560.19287	0.5
689.33850	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	745.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	1.8
59.01266	28.9
61.98719	45.1
65.43527	1.0
67.01773	2.3
68.99365	1.3
68.99708	18.8
70.49773	2.7
71.01272	20.0
72.99196	1.6
77.12063	0.9
81.03373	1.0
83.01262	1.4
85.02844	4.2
87.00805	1.3
88.98709	2.4
89.02342	16.6
93.03365	5.3
95.01278	3.1
96.95937	5.6
101.02354	11.4
108.01368	1.8
108.02082	30.2
109.02911	8.1
111.00809	1.4
113.02339	5.6
117.03358	2.3
119.03407	6.9
119.04860	1.2
120.01208	2.2
121.02879	12.7
122.03662	15.2
123.00806	16.8
123.04444	33.3
124.01591	1.3
125.02326	1.4
132.02084	4.4
133.02870	4.5
134.03636	2.7
135.04469	7.6
136.01605	10.6
137.02325	3.6
138.02124	0.7
138.03165	22.7
143.03497	1.2
145.02875	1.4
147.04446	2.5
148.01591	1.7
149.01215	2.0
149.02386	24.3
149.06078	1.2
150.03174	100.0
151.00340	2.9
151.03963	12.6
152.01010	1.1
153.05484	2.9
160.01604	5.3
161.02405	14.4
162.03180	39.0
163.03986	15.1
164.04747	6.3
165.05533	89.4
166.02667	7.6
166.05937	5.9
167.03372	3.2
172.05283	1.0
175.03958	3.9
177.05539	47.6
178.02686	33.1
178.05925	2.4
179.03264	4.1
179.05536	1.4
179.07051	1.3
180.04274	6.8
181.05005	9.4
189.05524	1.6
190.06371	3.5
193.05046	74.3
194.05447	5.1
195.06613	79.2
196.06909	3.2
205.05045	1.2
209.11832	2.1
236.39435	1.1
270.08908	2.8
282.05634	1.0
285.11401	2.4
288.76392	1.1
295.09589	1.4
298.08746	2.7
309.07745	1.4
310.08572	1.3
311.09314	1.5
313.11017	2.0
317.10300	1.6
324.10049	1.5
325.10773	3.7
326.07849	3.3
326.11621	2.5
327.08752	0.9
329.10339	3.0
339.12479	1.4
340.13327	1.5
341.10379	17.3
341.14294	1.7
342.10788	3.2
356.12756	13.2
357.09738	3.2
357.13644	5.3
362.29437	1.1
369.13376	1.5
371.15051	13.2
372.12125	3.3
387.14597	27.5
388.14856	2.8
503.17130	1.9
535.19885	45.0
536.20398	6.5
547.19659	3.2
553.20697	1.6
565.20935	36.4
566.21057	5.9
583.22058	25.4
584.22314	4.6
683.23383	1.7
715.26599	9.0
727.26385	2.1
745.27295	74.6
746.27747	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	741.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
59.01263	4.7
61.98717	1.2
71.01274	3.7
71.33213	1.2
73.02847	1.2
78.25983	0.6
78.95790	0.9
80.02542	0.6
81.03350	0.5
81.78456	0.4
83.01299	0.8
83.04915	3.9
84.02042	0.5
85.02858	1.3
87.00780	1.1
88.98706	0.5
89.02339	2.9
95.04910	0.7
99.00772	0.6
101.02357	4.1
113.02363	2.2
119.03423	0.9
125.09630	1.9
127.11201	2.1
135.08086	0.8
145.05013	1.4
152.99521	0.6
155.10713	0.8
161.04520	1.8
163.11206	2.8
165.12796	1.1
171.10240	1.7
179.05640	0.9
181.12276	0.7
182.63525	0.5
191.10765	0.9
199.09644	0.6
201.11311	36.6
202.11646	1.7
209.11826	84.5
210.12173	5.1
227.12904	10.0
228.13260	0.7
235.08252	6.9
253.09322	15.6
254.09703	0.8
260.13251	0.5
277.21790	100.0
278.22131	11.8
352.61108	0.5
419.19110	0.8
437.20578	0.8
443.31372	1.0
445.20660	0.9
448.83084	0.6
461.32733	0.9
505.25607	0.7
513.30908	1.4
538.89337	0.6
717.36591	0.6
774.44495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.8
60.99203	0.2
61.98719	100.0
62.31693	0.2
62.49725	0.2
62.98447	0.2
71.01273	0.6
71.53116	0.3
74.68870	0.2
78.95805	0.3
83.85720	0.2
85.02874	0.2
87.00766	0.3
88.00365	0.2
88.98703	1.6
89.02354	0.6
101.02374	0.5
109.86625	0.2
113.02364	0.3
125.02357	0.2
125.09660	0.2
127.11295	0.2
152.99701	0.2
171.10225	0.5
193.57310	0.2
201.11272	2.1
201.49510	0.2
202.11682	0.4
209.11813	4.1
209.13797	0.3
210.12160	1.6
227.12932	0.6
235.08257	0.3
240.09207	0.2
253.09448	0.7
277.21814	2.7
278.22113	2.3
281.25006	0.8
282.25378	0.6
283.25757	0.4
293.21417	0.3
397.13828	0.5
398.13971	0.8
399.14328	0.6
400.14645	0.5
416.15054	0.2
417.15222	0.5
418.14825	0.2
743.36053	0.2
762.92023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.6
61.98721	100.0
62.98413	0.2
70.22025	0.3
71.01289	0.6
80.96391	0.1
85.02831	0.1
87.00778	0.2
89.02357	0.3
101.02373	0.3
105.95067	0.1
113.02368	0.2
119.03449	0.1
120.50972	0.1
125.02403	0.2
134.52040	0.1
138.58417	0.1
164.16591	0.1
171.10173	0.1
174.05238	0.1
174.59935	0.1
177.48341	0.1
209.11839	0.6
211.13422	0.7
212.13739	0.3
227.12971	0.2
253.09323	0.2
277.21753	0.1
279.23361	0.5
280.23740	0.5
281.24225	0.3
282.24252	0.1
291.19836	0.1
292.20120	0.1
293.21283	0.1
295.22833	0.4
309.20901	0.3
310.21289	0.3
397.13556	0.2
398.14014	0.5
399.14218	0.7
400.14328	0.4
415.15164	0.1
416.15152	0.2
417.15482	0.2
462.97217	0.1
577.27344	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	740.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.8
60.01598	0.1
61.98719	100.0
62.98422	0.1
70.69320	0.2
81.03368	0.2
83.04925	0.5
84.05261	0.2
93.21586	0.1
119.06245	0.1
125.07132	0.1
177.18066	0.1
201.97894	0.1
215.75012	0.1
225.16190	0.2
226.16478	0.3
227.16913	0.1
237.39093	0.1
325.63821	0.1
351.81427	0.1
452.33282	0.1
453.33936	0.1
454.33768	0.1
519.25690	0.1
661.49146	0.1
677.50452	0.1
678.50378	0.4
679.50464	2.0
679.61688	0.1
680.50684	3.7
681.51331	0.2
740.49426	1.7
741.49591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99868	0.7
57.03343	1.0
59.01042	0.7
59.01275	7.5
61.98732	1.4
64.17725	0.8
71.01268	7.5
71.53208	1.2
72.99194	0.8
73.02842	2.3
74.48374	0.8
78.95789	3.5
85.02847	2.0
87.00780	2.8
89.02334	2.8
95.01284	1.1
95.04947	1.3
97.02856	3.0
97.06471	2.1
99.00784	9.3
101.02345	5.7
101.56876	0.8
103.28439	0.9
107.51804	0.8
109.06493	2.2
111.00823	1.3
113.02370	3.1
123.08054	1.1
125.09672	3.9
127.11265	1.0
131.95657	0.8
152.99582	1.5
155.87782	0.9
161.04500	1.5
163.11244	7.9
171.10233	25.4
172.10542	1.2
173.10608	0.8
181.12305	8.5
189.09157	1.0
197.11830	2.2
199.13387	8.7
200.66351	1.0
201.11316	8.5
207.10257	24.6
208.10704	1.6
209.11771	1.4
211.13445	1.6
215.13034	0.9
225.11337	41.6
226.11641	3.2
235.08247	3.6
243.12462	5.8
253.09320	6.2
275.20251	1.2
277.21799	100.0
278.22147	10.1
279.23282	1.2
293.21365	1.1
443.19333	2.4
461.20190	8.5
721.41724	7.7
722.41803	2.0
739.42896	75.1
740.43213	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	739.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55135	0.9
57.03321	0.9
58.00496	1.3
58.26205	0.9
59.01265	11.8
59.56784	0.9
68.69625	0.9
69.03376	1.3
71.01276	20.2
71.04928	1.1
71.55946	2.0
72.99181	1.3
73.02834	3.4
76.90405	0.9
78.95782	2.7
81.03345	1.0
83.01268	1.1
83.04944	1.6
85.02849	3.0
87.00789	2.1
89.02341	4.6
93.85488	0.8
94.38235	0.9
95.01308	1.6
95.04923	1.7
97.02848	5.2
97.06480	1.5
99.00784	7.3
101.02349	6.3
105.12000	1.1
106.04962	1.0
109.06516	5.0
110.03679	1.3
113.02334	4.9
114.07061	0.9
119.03421	1.5
119.70239	1.3
125.09679	6.2
127.11217	2.6
135.08093	1.9
143.03427	1.3
147.00557	0.9
152.99579	1.2
160.59470	0.9
161.04524	2.4
161.09666	1.2
163.11227	7.7
165.09134	1.2
166.22548	0.9
169.12296	1.1
171.10226	48.3
172.10620	1.7
181.12288	12.1
185.12003	1.4
189.09193	2.0
191.48784	1.1
197.11816	2.5
199.13406	13.5
200.13631	1.2
201.11317	20.5
202.11688	1.6
207.10274	31.9
208.10622	1.5
209.11829	2.9
211.13408	3.5
215.12910	1.8
225.11330	68.2
226.11694	4.9
227.12881	2.2
235.08215	4.8
243.12411	11.2
244.12704	1.5
253.09329	11.7
271.34122	1.1
277.21793	100.0
278.22159	10.5
291.19736	2.2
293.21320	2.3
295.10413	1.8
363.81604	1.1
443.19290	2.3
461.20395	11.0
462.21008	2.5
479.21527	2.9
666.14795	1.2
721.41986	6.7
722.42395	1.9
739.42896	83.6
740.43097	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	739.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15248	0.5
55.01751	1.1
55.77439	0.5
57.03343	0.6
58.00465	1.6
59.01268	27.7
61.98698	0.6
69.03322	2.0
69.31381	1.5
69.31792	3.9
71.01273	25.3
72.99203	2.4
73.02837	5.2
75.00756	0.7
78.95773	1.1
81.03357	1.1
83.01286	2.7
85.02841	5.7
87.00773	6.9
89.02338	19.9
91.03903	0.7
95.01257	2.0
97.02859	4.3
99.00787	1.2
101.02351	17.9
109.06525	0.5
111.04389	1.2
113.01608	0.8
113.02362	8.2
119.03419	5.0
125.02374	7.7
125.09618	0.6
127.03972	0.5
131.03413	1.3
139.03998	0.7
141.01831	0.8
143.03445	3.9
149.04498	0.7
150.53831	0.5
161.04498	3.1
171.10233	6.4
179.05586	4.1
179.10777	0.6
197.11844	0.7
199.06172	0.6
201.11278	1.7
207.10245	1.9
209.11765	1.3
210.12184	0.7
211.13474	0.5
221.06670	1.5
221.43776	0.5
225.11346	5.6
235.08257	9.8
243.12411	0.6
253.09282	4.1
254.20419	0.5
263.07693	0.9
277.09344	0.5
277.21799	13.4
278.22150	1.9
279.23245	1.1
281.24921	75.0
282.25290	7.2
287.07941	3.1
291.19598	0.6
293.21277	0.6
305.08795	3.5
309.20847	0.9
310.20917	0.5
311.21262	0.6
323.09998	1.1
379.12744	0.7
397.13605	100.0
398.13947	6.6
415.14667	30.0
416.15088	2.5
461.20633	0.8
543.76453	0.6
679.39301	5.0
680.40027	1.0
721.41321	0.8
739.42126	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	738.358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.8
60.01606	0.1
61.98720	100.0
62.98421	0.2
70.79512	0.1
70.79851	0.1
71.01275	0.6
72.01630	0.1
73.02837	0.1
83.01297	0.1
85.02872	0.2
86.21411	0.1
87.00790	0.1
89.02339	0.5
90.02682	0.1
97.02878	0.1
101.02357	0.6
102.02686	0.1
111.17457	0.1
112.92274	0.1
113.02367	0.2
119.03455	0.1
125.02374	0.2
161.04414	0.1
161.11133	0.1
179.05560	0.1
209.11781	0.1
235.08243	0.2
277.21823	0.8
278.22192	0.9
279.22577	0.5
280.22888	0.1
288.08041	0.1
291.19922	0.2
305.14929	0.1
328.03638	0.1
397.13614	0.5
398.13940	0.8
399.14145	1.0
400.14404	0.5
415.14624	0.1
416.14966	0.3
417.15036	0.5
418.15570	0.2
615.29572	0.1
713.97333	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.9
61.98721	100.0
62.98438	0.2
70.38207	0.2
71.01274	0.7
72.01610	0.1
73.02831	0.1
85.02854	0.1
87.00782	0.2
89.02338	0.7
91.02783	0.1
97.02900	0.1
101.02371	0.4
102.02699	0.2
113.02377	0.2
119.03433	0.1
122.46482	0.1
125.02378	0.2
126.02703	0.1
133.02943	0.1
149.84862	0.1
161.04581	0.1
179.05486	0.1
209.11816	1.0
211.13419	0.2
227.12926	0.1
235.08229	0.1
253.09390	0.1
277.21774	0.7
278.22122	0.8
279.22461	0.4
280.22781	0.1
291.19849	0.2
293.21329	0.4
309.20953	0.1
397.13739	0.6
398.13968	0.7
399.14111	1.0
400.14374	0.5
415.14938	0.1
416.15140	0.2
417.15427	0.3
418.15628	0.2
433.61865	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00198	0.4
55.01768	0.9
57.03329	1.1
59.01264	7.5
61.98708	1.2
67.01776	0.5
68.99690	0.6
69.03342	5.8
69.52726	1.0
69.53138	2.4
71.01270	7.6
71.04913	1.7
72.99196	0.5
73.02856	1.2
73.64311	0.4
78.95788	0.9
83.01279	1.2
83.04909	0.8
85.02851	1.8
87.00787	1.5
89.02343	3.8
95.01294	0.5
95.04978	0.5
97.02859	1.2
97.06483	1.0
101.02345	5.0
104.01196	0.4
107.13331	0.3
110.03672	0.7
111.04453	2.8
113.02367	2.5
119.03437	0.6
123.08086	0.8
125.09655	2.5
127.07571	0.5
143.03473	0.6
145.04974	0.5
149.09592	0.4
151.11218	3.9
153.12802	1.6
161.04533	1.9
161.09671	4.6
162.10083	0.4
169.12321	6.0
171.10240	4.0
177.09216	0.8
179.10733	8.2
180.11192	0.5
197.11818	46.0
198.12138	3.0
205.08716	2.1
207.10242	0.5
213.11348	0.9
223.09763	8.5
224.10178	0.5
235.08211	0.7
241.10822	2.2
249.44774	0.4
253.09355	4.3
259.20618	0.8
277.21786	59.7
278.22156	6.9
297.64868	0.4
300.02866	0.8
307.11850	0.5
315.05121	1.9
357.11160	0.4
408.21347	0.4
441.17999	0.6
459.18918	2.2
477.19797	1.2
489.48154	0.4
712.72095	0.4
719.40240	2.1
720.41272	0.5
737.41351	100.0
738.41650	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	0.3
59.01265	14.5
60.01591	0.2
69.72994	0.8
80.04948	0.2
81.03349	4.4
82.03668	0.1
83.04917	12.5
84.05241	0.3
98.20522	0.2
98.36224	0.1
100.07576	0.2
107.06052	0.4
108.04472	0.3
125.07130	0.7
126.05496	0.4
143.08186	0.4
148.49188	0.1
207.15018	0.9
224.15692	0.2
224.17709	2.2
225.16090	12.2
226.16431	0.8
242.18736	0.5
250.15712	0.2
290.22305	0.1
290.76459	0.1
309.21753	0.8
324.26688	0.5
333.22928	0.5
339.27878	0.2
341.29184	0.8
343.27673	0.1
351.24289	0.2
367.27188	1.5
368.27179	0.2
377.34433	0.1
385.28516	0.2
433.31781	1.0
450.34705	0.9
451.32999	7.9
452.33432	1.2
533.41138	0.2
550.43652	1.1
559.39844	0.4
560.39862	0.2
565.44659	0.3
566.44464	0.2
567.45911	0.2
593.44281	0.6
659.48706	1.9
660.49335	0.5
677.49841	100.0
678.50153	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	727.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	14.8
61.98725	0.5
67.87367	0.3
71.01274	1.9
71.60222	0.3
78.95808	1.2
89.02338	1.2
101.02350	1.2
113.02354	0.8
119.03413	0.5
125.09663	0.4
127.11248	1.5
152.99545	1.1
153.09157	0.6
161.04588	0.6
171.10234	100.0
172.10577	4.3
179.05682	0.4
209.11868	1.2
225.11320	0.4
235.08315	1.8
253.09369	5.6
255.23424	1.8
277.21793	52.5
278.22113	5.4
341.39603	0.3
377.89212	0.3
407.19373	2.8
454.64005	0.3
500.02829	0.3
621.68164	0.3
625.88220	0.4
637.37085	0.6
665.68201	0.3
683.78583	0.4
699.10004	0.3
709.39258	0.7
727.39990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24667	0.3
59.01267	19.0
67.67882	0.3
69.88660	1.8
71.01275	2.1
73.02856	0.5
77.52702	0.3
78.95794	0.9
85.02856	0.7
87.00746	0.6
89.02348	1.5
98.19861	0.5
101.02325	2.1
113.02358	1.1
116.57963	0.3
118.44525	0.3
119.03441	0.6
125.09645	0.6
127.11213	1.0
141.50723	0.3
152.99556	1.0
161.04547	1.1
171.10226	84.4
172.10567	3.9
179.05704	0.4
197.11911	0.7
209.11833	2.9
210.12296	0.3
227.13033	0.4
235.08263	3.9
236.08711	0.4
253.09325	6.8
254.09714	0.4
255.23351	1.7
267.23480	0.5
277.21790	100.0
278.22144	9.4
278.25314	0.4
279.23553	0.6
281.24939	4.0
389.18143	0.4
407.19284	1.5
513.30774	1.3
524.22766	0.3
601.05157	0.3
621.47308	0.3
691.38153	0.4
709.39258	0.9
727.41931	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40118	0.3
55.01780	0.4
57.03337	0.9
59.01269	4.6
61.98700	0.3
65.64864	0.3
69.03346	3.8
69.18076	0.2
69.60152	0.7
69.60578	1.3
71.01271	5.1
71.04915	2.0
73.02850	1.0
78.95824	0.5
80.96436	0.2
81.03381	0.4
83.01286	0.6
83.04931	0.5
85.02858	1.3
85.03298	0.3
87.00781	0.7
89.02338	2.4
95.01295	0.7
97.02875	0.7
97.06511	0.8
99.00780	0.5
101.02360	3.2
111.04498	0.3
113.02376	1.8
119.03425	0.6
123.08059	0.9
125.09644	1.7
127.07555	0.3
137.09750	0.4
141.09151	0.3
149.09595	0.4
151.11226	1.7
153.12785	2.1
161.04526	1.4
161.09680	2.4
169.12291	1.5
171.10262	0.4
179.10730	6.0
180.11092	0.4
197.11819	84.4
198.12131	5.3
201.11185	0.3
205.08713	0.7
223.09773	1.8
225.11382	0.5
228.07771	0.3
235.08250	0.7
241.10803	3.9
253.09364	2.7
259.20709	0.3
277.21802	28.1
278.22144	2.8
279.23343	0.4
459.18683	0.8
477.19928	2.2
478.20361	0.4
575.36407	0.3
719.40308	0.6
737.41357	100.0
738.41663	22.5
738.55127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.2
57.03330	0.2
58.00483	0.2
59.00988	0.2
59.01268	3.2
67.01868	0.1
71.01268	3.2
71.04877	0.1
72.99216	0.2
73.02838	0.4
75.00724	0.1
78.95792	0.2
80.02561	0.9
80.96360	0.1
81.03352	1.2
83.01279	0.4
83.04918	4.3
84.01634	0.2
84.02067	0.9
85.02844	0.9
87.00771	0.6
89.02340	1.8
93.03333	0.1
95.01300	0.2
95.04934	0.8
97.02877	0.2
97.06463	0.2
98.19724	0.2
99.00788	0.1
101.02345	2.4
102.02641	0.1
109.06548	0.3
109.70737	0.1
113.02361	1.6
117.21866	0.1
118.76727	0.1
119.03418	0.5
125.06017	0.3
125.09659	0.2
126.00085	0.1
127.07594	0.2
133.04985	0.3
135.08076	0.6
143.03429	0.1
145.05003	0.3
147.11693	0.3
152.99542	0.3
161.04509	1.1
163.11238	3.4
164.11507	0.1
165.11528	0.2
165.12811	2.0
166.13219	0.2
179.05621	0.3
181.12297	0.3
191.10782	0.8
199.13362	0.2
207.10287	0.5
208.10741	0.1
209.11829	100.0
210.12169	6.7
225.11346	0.1
227.12898	10.8
228.13203	0.7
233.22780	0.3
235.08267	3.7
236.08633	0.2
253.09334	9.3
254.09575	0.6
259.20621	0.2
275.20377	0.2
277.21786	78.4
278.22128	7.5
279.23511	0.3
445.20819	1.0
469.14722	0.2
513.30585	0.3
723.42993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.2
58.00481	0.2
59.01263	2.7
61.98716	0.3
69.59414	0.3
69.59811	0.9
71.01270	2.5
72.99203	0.3
73.02834	0.3
78.95802	0.3
80.02554	1.1
81.03338	1.0
83.01279	0.4
83.04919	4.2
84.02047	0.7
85.02851	0.6
87.00789	0.5
89.02336	1.9
95.01270	0.3
95.04940	0.6
97.02840	0.2
99.00767	0.2
101.02353	2.0
102.36159	0.1
107.04871	0.2
109.06504	0.4
110.40509	0.1
113.02388	1.3
113.05945	0.1
119.03459	0.4
125.05986	0.5
129.22717	0.1
133.34921	0.1
135.08101	0.5
142.51674	0.1
143.03404	0.2
145.66428	0.1
152.99586	0.2
161.04539	1.0
163.11238	2.7
164.11568	0.2
165.12814	2.0
173.28757	0.2
179.05621	0.4
181.12289	0.6
191.10814	0.7
199.13336	0.3
200.12576	0.2
207.10268	0.5
209.11829	100.0
210.12163	6.2
210.36951	0.2
225.11339	0.3
227.12906	11.1
228.13200	0.6
235.08293	1.4
253.09331	7.0
254.09732	0.3
259.20618	0.2
277.21796	50.2
278.22131	4.9
279.23251	0.4
347.86292	0.1
407.78964	0.1
445.20990	1.1
463.21808	0.3
723.43732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.6
57.03327	3.0
58.00479	2.2
59.01269	40.2
61.98713	2.4
63.55496	0.8
67.01781	0.8
68.99728	0.8
69.03358	3.6
69.30473	2.9
69.30896	5.1
71.01269	37.0
71.04903	2.3
72.99203	3.0
73.02843	4.8
75.00766	0.7
78.95816	0.8
80.02581	1.5
81.03347	2.6
83.01280	3.1
83.04911	6.2
84.02055	2.4
85.02844	8.3
87.00764	6.0
87.04385	0.9
89.02338	29.2
93.03371	1.2
95.01293	2.3
95.04929	2.3
96.95927	2.0
97.02842	5.4
97.06505	3.2
99.00792	3.0
99.04420	2.5
101.02354	22.2
106.04152	1.1
109.02887	1.5
109.06504	7.1
111.00838	0.8
112.05202	2.4
113.02359	10.5
115.07568	2.5
119.03400	7.2
121.02868	1.7
122.03627	1.6
123.04452	1.7
125.02374	7.2
125.06018	1.7
125.09666	6.4
127.07577	4.9
131.03391	1.1
133.57422	0.8
135.04396	0.9
135.08095	3.2
137.02354	1.9
137.09694	1.3
139.07571	1.2
141.01849	1.8
142.21265	0.9
143.03450	3.6
149.04465	0.9
150.03169	1.0
153.07996	1.6
153.09166	22.3
155.10727	2.1
160.01622	1.5
161.04475	4.5
163.11264	4.8
165.05536	1.0
165.12808	3.2
169.12303	1.3
171.10229	31.2
172.10626	1.1
175.03937	2.1
177.01910	1.0
178.09978	3.5
179.05565	5.3
179.06934	0.9
179.10692	0.9
181.12276	2.6
183.13910	1.6
185.11804	8.2
191.10820	1.6
191.14413	2.6
193.04993	0.8
193.12354	1.0
197.11813	22.1
198.12059	1.2
199.13350	1.9
207.10306	2.2
209.11824	72.5
210.12149	4.2
211.13408	8.0
219.13846	0.8
221.06709	2.5
221.41519	0.8
227.12903	3.0
231.03008	1.2
235.08188	5.4
235.13409	2.1
235.20859	1.1
236.10547	1.1
238.12111	3.2
239.16765	1.2
240.84732	1.0
245.19098	6.7
253.09288	1.9
256.13300	1.0
263.07703	1.4
263.20349	1.1
271.16980	0.9
279.19714	2.2
289.18152	17.8
290.18524	1.6
297.20792	4.4
305.08771	1.1
307.19229	100.0
308.19577	9.7
323.10248	1.4
325.20279	95.5
326.20544	9.0
335.95837	0.8
336.01608	0.8
337.09384	3.3
338.10135	1.0
341.26364	0.8
347.15091	3.4
397.13611	40.9
398.13873	3.9
415.14661	44.1
416.14999	4.2
569.24817	2.0
636.26276	5.6
705.33563	34.7
706.33954	6.6
723.34698	35.1
724.35400	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	723.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	2.3
57.03336	6.2
58.00481	3.4
59.01266	59.9
61.98723	13.2
67.42262	0.8
69.03339	6.0
71.01273	61.8
71.04919	1.1
71.62595	1.7
72.01618	1.1
72.99199	7.2
73.02831	8.3
75.00755	1.4
78.95805	6.3
80.02561	1.9
80.91565	1.0
81.03346	5.8
83.01277	11.4
83.04913	4.1
85.02846	11.9
87.00778	12.9
88.98706	2.9
89.02341	47.1
93.03358	1.9
95.01289	3.9
95.04945	3.0
95.82572	0.9
96.95911	2.9
97.02849	11.8
97.06496	10.3
99.00776	4.1
101.02351	42.9
102.02708	1.1
106.04154	2.1
109.02856	1.9
109.06518	3.6
110.03622	1.1
111.00776	4.8
111.04432	2.9
111.08071	1.4
113.02352	18.2
119.03413	12.6
119.08555	1.4
121.02847	1.3
121.06527	1.5
123.00879	1.3
123.04433	5.6
123.08085	3.9
124.01594	1.8
125.02395	13.3
125.09657	20.0
131.03429	2.6
135.08083	2.8
137.09636	5.6
139.03954	1.9
141.01852	1.4
141.12775	1.6
142.02542	1.0
143.03423	5.6
149.04562	1.1
149.06073	1.7
149.09683	1.4
150.60832	0.9
151.11200	1.9
152.99493	2.3
153.09172	1.0
161.04530	8.0
161.09708	1.1
163.11252	12.0
165.09067	1.0
165.12827	4.2
167.03462	1.2
167.10744	4.4
169.12341	1.1
171.10228	4.5
177.12756	1.7
179.05582	9.3
179.10760	1.2
181.12326	2.9
185.04480	1.5
185.11813	18.1
191.10776	1.7
191.14413	11.8
193.12291	1.5
194.62807	1.0
195.97099	0.9
197.11795	2.9
201.11197	1.0
207.10304	9.7
208.63751	0.9
209.11836	43.1
210.12228	4.1
211.13589	4.4
217.07127	1.1
217.15967	2.4
219.05168	0.9
221.06670	4.3
225.11293	8.4
226.11896	2.1
227.12903	13.0
228.13254	1.2
235.08231	11.1
237.11334	3.8
245.19139	28.5
246.19545	1.4
253.09315	3.8
263.07703	2.5
263.20258	7.0
271.17148	3.3
281.21243	2.6
289.18161	100.0
290.18478	9.7
291.19559	1.2
295.26495	1.8
305.08765	1.5
307.19226	72.8
308.19583	7.3
325.20059	2.7
339.25455	2.9
357.26682	1.4
397.13611	17.9
398.14142	1.6
415.14670	20.6
416.14822	1.5
607.26129	2.5
660.18848	1.0
675.57813	1.1
691.34924	2.5
705.34271	1.4
723.37756	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	719.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62193	0.6
55.01764	1.1
56.54615	0.5
57.03337	1.8
58.00486	0.7
59.01274	6.2
61.98419	1.1
61.98722	16.9
64.59913	0.6
65.47948	0.6
66.85901	0.6
67.01795	0.7
69.03348	5.7
71.01274	5.7
71.04919	2.7
71.59562	1.3
72.99210	1.1
73.02854	1.2
80.02559	0.8
80.96444	0.6
81.03356	1.5
83.01296	1.7
83.04930	4.6
84.02068	1.3
85.02847	2.4
87.00778	1.8
89.02327	4.0
95.01291	1.0
95.04940	0.7
96.95914	2.7
97.02853	1.2
97.06519	1.0
99.00784	0.8
100.41189	0.6
101.02362	5.4
109.06505	0.6
111.00790	23.9
113.02368	2.6
119.03426	0.9
123.08060	1.1
124.51194	0.6
125.06020	0.7
125.09635	2.4
135.08075	0.8
143.03525	0.7
150.83391	0.6
151.11211	2.9
153.12782	2.0
154.99835	1.0
161.04471	1.5
161.09648	4.2
163.11259	3.7
165.12833	2.9
167.12131	0.6
168.23222	0.6
171.10246	0.7
173.00896	6.2
179.10744	8.8
181.12299	0.9
185.11838	0.7
191.10791	1.2
197.11830	83.1
198.12178	5.3
209.11841	66.3
210.12181	3.6
216.28653	0.6
223.09747	1.3
225.11366	0.9
227.12967	3.4
235.08272	0.7
241.10915	3.9
253.09346	4.4
260.45459	0.6
284.03177	1.0
299.05823	0.6
308.50159	0.6
335.22287	1.6
477.20078	1.8
687.32501	100.0
688.32886	20.9
719.35199	31.0
720.35712	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	711.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00482	0.9
59.01270	26.4
61.98715	2.0
69.03349	1.3
71.01273	22.0
71.52814	0.6
71.53230	1.2
72.99206	1.5
73.02834	3.3
75.00740	0.8
78.95793	1.0
81.03390	1.0
83.01285	2.2
85.02837	4.2
86.08381	0.5
87.00777	6.4
89.02344	22.0
91.03911	0.7
95.01311	1.3
97.02857	3.8
99.00785	1.4
101.02354	16.8
113.02353	7.9
113.03072	0.8
119.03428	7.1
125.02363	6.8
131.03473	1.1
133.05077	0.9
139.03931	0.7
143.03448	3.3
149.04539	0.8
155.18108	0.5
161.04491	4.5
179.05582	4.3
221.06660	1.4
235.08270	8.5
253.09409	1.7
253.21777	51.2
254.22144	3.9
263.07861	0.9
277.09320	0.6
277.21780	11.7
278.22046	1.3
287.07718	3.4
305.08847	3.7
305.11871	0.6
323.09692	1.4
397.13620	100.0
398.13962	8.5
415.14691	29.6
416.14975	2.4
651.36078	4.4
675.36542	3.2
711.33685	15.8
712.34491	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	713.4757
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
61.98698	0.2
79.87455	0.2
83.04906	0.4
83.90813	0.2
98.19662	0.4
117.10948	0.2
123.42042	0.2
161.02357	0.2
169.88904	0.2
171.63786	0.2
225.16081	0.4
451.33191	0.4
677.50055	2.2
678.50800	0.4
713.47540	100.0
714.47833	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	715.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91327	0.6
59.01272	4.4
63.23156	0.8
63.62770	0.7
69.03344	3.1
70.26318	0.7
71.01281	4.4
71.04897	1.2
73.02828	0.8
78.95787	1.7
85.02859	0.8
87.00795	1.2
89.02330	2.9
96.95925	1.2
101.02341	3.8
111.04340	0.9
113.02379	1.6
119.03388	0.9
125.02365	0.7
125.09640	2.2
151.11218	1.7
152.99533	0.8
153.12827	1.1
161.04411	1.0
161.09641	3.7
179.10754	8.0
197.11824	39.2
198.12155	2.5
223.09789	1.8
235.08247	1.2
241.10840	2.2
253.09337	2.8
255.23347	75.1
256.23694	6.6
477.20135	1.3
522.18988	0.8
715.42932	100.0
716.43292	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	716.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.4
61.98717	100.0
62.98417	0.2
62.99136	0.1
66.41198	0.0
70.18761	0.0
71.01275	0.4
71.53534	0.1
72.01621	0.1
73.02832	0.1
78.95806	0.1
85.02870	0.1
87.00794	0.1
89.02338	0.4
90.02713	0.1
95.43712	0.0
101.02348	0.3
102.02687	0.1
103.02836	0.1
113.02372	0.1
119.03419	0.1
125.02335	0.1
126.04465	0.0
161.04468	0.1
235.08305	0.1
255.23329	0.6
256.23718	0.6
257.23972	0.4
258.23990	0.1
397.13556	0.4
398.13950	0.4
399.14108	0.8
400.14291	0.4
410.60663	0.1
416.15222	0.1
417.15244	0.2
418.15814	0.1
609.80414	0.1
656.38879	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50243	0.2
57.03339	1.8
59.01259	0.6
61.98721	7.2
67.01776	2.0
68.99739	0.2
69.31998	1.9
71.01268	0.7
72.99197	0.3
77.52232	0.2
78.95805	0.3
79.88651	0.2
83.01286	0.4
85.02837	1.5
86.19332	0.2
87.00774	6.8
88.36382	0.2
88.62502	0.2
88.98717	0.4
89.02320	0.4
96.95905	0.6
99.00833	0.2
101.02337	0.4
111.00796	100.0
112.01147	2.5
125.09671	0.2
129.01865	0.6
154.99800	0.5
163.11266	0.3
169.12326	0.3
171.10207	0.4
173.00882	12.5
174.01212	0.3
175.04045	0.3
181.12239	0.2
185.11835	0.2
197.11836	0.4
205.08633	0.2
207.10310	0.4
209.11841	1.9
211.13449	0.2
223.09760	0.4
225.11353	0.7
227.12982	0.3
253.09386	0.4
271.61539	0.2
291.19943	0.5
309.20862	0.7
337.09290	0.3
471.69022	0.2
545.29877	0.6
586.94281	0.2
687.32874	0.4
719.31592	3.6
720.32697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.1
59.01262	5.6
61.98726	1.1
66.65849	0.5
69.03336	0.5
70.71364	1.1
71.00915	0.6
71.01265	4.2
73.02834	1.4
78.95814	1.2
80.96425	3.3
83.01237	0.6
83.04917	1.1
85.02840	1.7
87.00762	1.1
88.98695	1.6
89.02347	2.4
94.98008	0.7
95.04925	0.6
97.06489	6.0
101.02340	3.8
113.02332	2.0
119.03403	0.7
125.09614	0.8
133.04971	0.6
133.10147	0.7
145.04967	0.6
151.11232	13.9
152.11588	0.9
152.99521	1.7
161.04465	1.4
166.64084	0.5
169.12306	47.4
170.12575	1.9
195.10287	3.1
207.28148	0.5
213.11317	6.7
235.08255	1.7
253.09409	2.7
255.23354	1.7
277.21790	53.7
278.22098	4.6
279.23367	1.0
431.19077	2.4
449.20352	2.2
709.41809	100.0
710.42126	21.9
728.96295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76099	0.5
57.03323	1.3
59.00990	0.7
59.01269	7.9
61.98717	2.8
69.33276	4.7
69.33677	1.0
71.01273	5.9
72.99201	0.7
73.02836	1.8
78.95805	1.9
79.95636	0.6
80.96417	4.2
81.70240	0.5
85.02830	1.6
87.00759	1.1
88.98704	1.7
89.02348	4.0
93.33961	0.5
94.97952	1.0
95.04905	1.1
97.06491	4.0
98.82960	0.6
99.00797	0.8
101.02354	5.2
108.06174	0.6
110.98439	0.7
113.02355	2.3
119.03429	1.2
143.03392	0.7
151.11223	14.3
152.11598	0.6
152.99533	1.6
161.04561	0.9
169.12300	100.0
170.12636	5.1
179.05594	1.0
195.10239	1.6
213.11320	11.9
225.00858	0.7
235.08214	1.5
253.09279	2.8
255.23299	2.2
257.23697	0.7
264.83752	0.6
277.21799	25.1
278.22086	2.5
279.23355	12.5
280.23831	0.8
281.25168	0.8
372.59286	0.6
389.21860	0.8
431.19241	2.3
447.25345	0.7
449.20383	6.9
450.20087	0.8
597.47687	0.6
709.41754	96.8
710.42151	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03339	0.7
58.00483	0.7
59.01266	13.7
61.98727	5.1
69.03345	1.1
71.01271	13.2
71.61940	0.5
72.99195	1.4
73.02838	1.7
78.95787	3.0
81.03353	0.6
83.01267	1.2
83.04929	1.0
85.02847	2.8
87.00791	2.4
89.02343	11.3
95.01275	0.8
96.95912	1.5
97.02866	1.3
97.06497	0.5
98.20496	1.0
99.04395	0.6
101.02359	8.0
108.35832	0.6
111.04439	0.7
113.02351	4.9
113.09671	0.5
115.94169	0.4
119.03409	3.7
125.02376	2.7
125.09613	1.1
127.11160	0.5
129.09163	0.5
131.03423	0.7
139.11237	0.8
143.03433	2.4
152.99544	1.4
161.04497	2.2
163.11278	2.8
164.11940	0.6
165.12839	0.8
167.10808	0.6
171.10233	13.1
179.05600	2.6
181.12309	0.9
197.11819	1.1
209.11836	11.6
210.12233	0.9
211.13423	1.1
227.12903	1.8
235.08292	3.0
249.22255	2.5
253.09332	2.1
279.23444	0.6
287.07816	0.9
293.21304	58.7
294.21655	5.2
295.22910	0.8
311.22357	100.0
312.22684	9.8
314.54102	0.5
326.04089	0.5
335.42188	0.5
341.06836	0.5
397.13577	20.4
398.13971	1.7
407.19473	1.2
415.14667	21.4
416.15024	1.5
445.20682	0.6
469.30664	0.5
515.96228	0.5
547.26581	0.5
691.35333	0.8
709.36737	5.3
710.36493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01321	0.7
63.96123	1.6
71.01274	6.7
71.22208	1.5
73.02834	1.2
78.98482	5.4
79.95626	8.8
80.96413	63.2
81.03359	0.9
84.47775	0.7
85.02836	2.5
87.00750	2.2
94.97992	14.5
99.00784	1.0
101.02341	2.0
106.97990	3.3
122.97462	2.1
125.02355	2.5
134.97537	4.4
136.99040	1.2
142.47192	0.7
148.99110	4.9
152.98575	5.2
154.98219	0.8
164.98561	9.7
171.10258	1.6
206.99646	2.3
225.00754	16.4
253.08401	0.8
255.23392	1.4
279.23312	1.6
305.78625	0.8
453.14523	3.0
537.27148	1.3
709.38574	100.0
710.38904	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	709.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03339	0.7
58.00483	0.7
59.01266	13.7
61.98727	5.1
69.03345	1.1
71.01271	13.2
71.61940	0.5
72.99195	1.4
73.02838	1.7
78.95787	3.0
81.03353	0.6
83.01267	1.2
83.04929	1.0
85.02847	2.8
87.00791	2.4
89.02343	11.3
95.01275	0.8
96.95912	1.5
97.02866	1.3
97.06497	0.5
98.20496	1.0
99.04395	0.6
101.02359	8.0
108.35832	0.6
111.04439	0.7
113.02351	4.9
113.09671	0.5
115.94169	0.4
119.03409	3.7
125.02376	2.7
125.09613	1.1
127.11160	0.5
129.09163	0.5
131.03423	0.7
139.11237	0.8
143.03433	2.4
152.99544	1.4
161.04497	2.2
163.11278	2.8
164.11940	0.6
165.12839	0.8
167.10808	0.6
171.10233	13.1
179.05600	2.6
181.12309	0.9
197.11819	1.1
209.11836	11.6
210.12233	0.9
211.13423	1.1
227.12903	1.8
235.08292	3.0
249.22255	2.5
253.09332	2.1
279.23444	0.6
287.07816	0.9
293.21304	58.7
294.21655	5.2
295.22910	0.8
311.22357	100.0
312.22684	9.8
314.54102	0.5
326.04089	0.5
335.42188	0.5
341.06836	0.5
397.13577	20.4
398.13971	1.7
407.19473	1.2
415.14667	21.4
416.15024	1.5
445.20682	0.6
469.30664	0.5
515.96228	0.5
547.26581	0.5
691.35333	0.8
709.36737	5.3
710.36493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.9
57.03328	1.2
58.00479	1.4
58.27697	0.3
59.01267	19.5
61.98715	3.1
66.64441	0.2
67.40318	0.2
68.99705	0.4
69.03335	1.3
69.19613	3.1
71.01271	17.0
72.99196	1.4
73.02832	2.5
75.00779	0.3
78.95805	0.8
80.02573	0.4
81.03341	1.0
81.12854	0.2
83.01284	1.3
83.04907	0.8
84.02066	0.4
85.02848	3.2
87.00771	4.2
88.98721	0.3
89.02341	14.9
90.02702	0.3
95.01265	1.4
95.04906	0.5
96.95897	0.3
97.02847	3.1
97.06477	0.4
99.00763	0.9
99.04472	0.4
101.02354	12.8
109.02909	0.3
109.06502	1.2
111.00791	0.6
111.04420	0.3
111.08076	7.1
112.08414	0.2
113.02364	5.9
119.03429	4.3
120.38152	0.3
121.02812	0.2
123.04440	0.4
125.02377	4.1
125.05945	0.3
125.09666	0.9
127.07589	0.7
131.03418	0.7
135.08107	0.3
136.16708	0.3
137.09631	0.5
139.03952	0.4
141.01863	0.5
143.03447	2.4
149.04509	0.4
151.11205	0.9
152.99503	0.3
153.12807	1.0
161.04477	2.5
163.11250	1.6
165.12793	2.6
166.10031	0.4
166.13135	0.3
167.10722	0.5
167.14322	0.4
169.12306	2.4
171.10196	1.1
177.12830	0.4
179.05591	4.1
179.10744	0.5
179.14380	0.8
181.12283	1.9
183.13866	0.8
185.04524	0.4
185.11792	0.3
191.51402	0.3
193.12210	0.5
193.15976	0.7
197.11819	29.4
198.12143	1.4
198.81641	0.3
199.13406	1.8
201.11331	0.3
207.10287	1.3
209.11833	4.4
210.12169	1.1
211.13452	4.1
212.13704	0.5
212.41397	0.3
216.58852	0.2
217.07300	0.3
221.06657	1.1
223.13432	0.7
225.11334	1.0
226.11913	0.3
227.12955	1.7
228.13289	0.5
235.08232	3.2
247.20731	3.0
253.09340	1.7
263.07712	0.6
263.20193	1.7
265.18112	0.8
273.18723	1.2
287.07748	0.7
289.76260	0.2
291.19745	31.6
292.20050	3.2
302.87711	0.3
305.09030	0.5
307.19479	0.3
309.20789	100.0
310.21127	12.3
323.10031	0.6
397.13589	20.0
398.13962	1.8
415.14679	31.3
416.15091	3.0
689.34149	0.7
707.35083	5.5
708.35468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03338	1.1
58.00492	1.1
59.01268	17.4
60.99194	0.4
61.98723	5.3
63.15083	0.3
69.03349	1.1
69.94382	1.9
71.01273	15.1
71.04903	0.4
72.99192	1.7
73.02840	2.7
78.95804	1.0
80.96409	0.4
81.03348	0.9
83.01288	1.8
83.04907	0.6
85.02847	3.5
87.00783	3.3
88.98711	1.0
89.02343	14.1
95.01300	0.7
95.04941	0.4
97.02854	2.3
97.06480	1.6
99.00784	1.3
101.02355	11.5
102.02752	0.4
107.04974	0.5
109.02840	0.5
109.06544	0.3
111.00795	0.4
111.04494	0.4
111.08092	0.4
113.02359	5.6
113.09652	1.5
115.07568	0.6
119.03429	4.3
123.04430	0.5
124.01617	0.4
125.02357	3.1
125.05983	0.6
125.09672	0.4
131.81622	0.3
137.02419	0.5
137.09654	0.5
139.03961	0.4
141.01910	0.7
141.09140	1.2
143.03410	1.9
149.04504	0.6
153.12856	0.5
161.04524	1.9
163.11203	0.6
165.12802	3.0
167.10800	0.7
167.14383	1.3
171.10298	0.5
179.05640	3.6
181.12311	3.3
183.13835	0.8
193.12344	1.4
195.13916	1.6
197.11868	0.4
201.11256	0.5
209.11801	2.1
211.13390	3.5
217.07216	0.5
221.06682	1.2
221.15526	1.2
225.11414	0.6
227.13039	0.4
229.14409	0.9
235.08305	3.2
240.13742	0.8
241.14494	0.7
247.20744	3.4
253.09377	1.6
263.07822	0.8
263.20212	0.4
265.21838	0.8
265.24588	0.4
273.16101	0.4
273.18695	2.7
274.18787	0.4
281.21323	1.6
287.07788	0.3
291.19751	30.8
292.20108	2.7
293.21396	0.5
306.80307	0.3
307.19159	0.4
309.20804	100.0
310.21118	8.7
311.22284	1.0
323.10074	0.5
331.10419	0.5
343.28021	0.4
397.13605	22.8
398.14102	1.7
415.14700	19.9
416.15079	1.3
527.28174	0.4
595.96161	0.4
609.26184	0.7
638.27692	0.4
689.33875	0.6
707.35138	22.1
708.35596	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	707.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.6
57.03331	1.0
58.00480	0.9
59.01269	17.6
61.98721	9.3
68.99715	0.3
69.03336	1.3
71.01273	16.6
71.04919	0.5
71.59551	0.5
72.01626	0.3
72.99194	1.4
73.02837	2.3
74.70432	0.3
78.95824	0.5
80.02564	0.4
81.03336	1.5
83.01276	1.7
83.04930	0.7
85.02834	3.2
87.00772	3.1
88.98711	0.3
89.02341	14.1
91.60208	0.3
93.03369	0.4
95.01277	1.4
95.04937	0.7
96.95929	1.0
97.02866	3.0
97.06480	0.6
98.03687	0.5
99.00766	1.1
101.02349	10.9
109.02891	0.4
109.06510	1.0
110.03674	0.3
111.00761	0.6
111.08083	0.5
113.02364	6.3
116.96408	0.3
119.03426	4.0
119.04983	0.3
121.02873	0.7
121.15342	0.3
123.04395	0.8
123.08074	0.8
124.01555	0.3
125.02375	3.5
125.06021	0.6
125.09647	1.4
127.07556	0.4
131.03429	1.1
137.02382	0.5
139.03911	0.6
141.12794	0.5
143.03444	1.7
145.02893	0.4
153.12750	0.5
161.04492	3.0
162.10487	0.5
163.11253	4.3
165.09187	0.4
165.11519	0.6
165.12813	5.6
166.13193	0.3
169.05031	0.3
171.10208	2.3
177.12820	0.7
178.30006	0.3
179.05595	3.5
179.14413	1.7
181.12308	2.2
182.68558	0.4
185.11755	0.6
192.07103	0.4
193.15942	1.3
197.11761	1.7
201.11285	1.3
202.11871	0.3
207.10242	1.9
209.11835	5.4
209.15369	0.5
210.12128	0.6
221.06656	0.9
221.11806	0.5
223.13451	2.1
225.11342	1.4
227.12878	1.3
235.08231	2.9
247.20761	6.2
248.21082	0.5
251.16478	0.4
253.09326	1.9
263.07706	0.7
273.18677	2.4
287.07745	0.7
291.19733	65.7
292.07242	0.3
292.20078	6.3
305.08856	0.9
309.20789	100.0
310.21152	9.4
323.10016	0.5
333.20999	0.4
397.13623	22.6
398.13809	1.8
415.14661	26.3
416.15091	2.1
435.62030	0.4
627.37665	0.8
669.39844	0.9
689.83868	0.3
707.35522	3.4
708.35632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
56.07045	0.4
57.03337	1.2
58.00467	1.4
59.01267	22.0
60.01594	0.4
61.98724	3.4
68.10387	0.3
69.03340	1.7
69.43638	0.3
71.01273	17.3
71.39467	0.7
72.99187	1.1
73.02844	2.8
78.95778	0.8
81.03329	0.7
83.01279	1.5
83.04908	0.5
85.02853	3.4
87.00790	3.8
88.03958	0.4
89.02343	15.1
95.01292	1.4
95.04906	0.5
96.95923	0.5
97.02848	2.6
97.06496	1.3
99.00780	1.1
99.04376	0.6
101.02354	12.3
101.03007	0.8
109.06531	0.5
111.04415	0.4
111.08068	1.3
113.02355	6.6
113.09615	1.8
115.07568	0.8
119.03425	4.0
125.02377	4.3
125.06008	0.5
125.09651	0.5
131.03424	0.5
137.09593	0.5
139.11188	0.6
141.01875	0.9
141.05476	0.4
141.09160	1.2
143.03409	2.0
151.11273	0.7
153.12816	0.5
161.04495	2.6
163.11214	0.8
165.12808	2.8
167.06506	0.5
167.10727	0.7
167.14346	1.3
169.12300	0.9
179.05580	3.5
181.12277	3.4
183.10381	0.4
183.13896	0.9
193.12292	1.3
193.16016	0.7
195.13979	2.1
197.11844	4.8
198.12177	0.5
199.13336	0.7
209.11848	3.6
210.12221	1.2
211.13419	2.6
213.14923	0.9
221.06662	1.5
221.15508	1.3
225.11334	0.4
227.12936	1.0
228.13251	0.4
229.14415	0.8
235.08237	2.7
237.22530	0.5
240.13730	0.6
242.15172	0.5
245.19073	0.4
247.20728	3.5
248.21069	0.6
252.82251	0.4
253.09309	1.3
263.07593	0.9
263.20306	0.9
265.21936	0.7
273.18671	2.2
281.21307	1.4
287.07904	0.6
291.19742	34.2
292.20129	3.6
305.09027	0.9
309.20792	100.0
310.17560	0.5
310.21155	11.3
313.03650	0.6
314.03857	0.4
323.09857	0.9
397.13586	20.2
398.13953	1.6
415.14664	19.1
416.15179	1.8
638.28149	0.5
650.12402	0.4
707.35168	19.8
708.35193	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	707.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.9
56.98599	0.3
57.03337	1.4
57.04591	0.3
57.77625	0.4
58.00488	1.7
59.01269	21.7
61.98721	6.0
63.99153	0.4
65.61879	0.3
69.03339	1.4
71.01275	20.2
71.59550	0.4
72.43145	0.3
72.99217	1.4
73.02850	2.8
75.00765	0.7
78.95770	0.7
81.03339	0.6
83.01289	2.1
83.04918	0.9
83.13604	0.4
84.02045	0.3
85.02855	4.3
86.84072	0.3
87.00782	4.5
88.03944	0.5
88.98714	0.7
89.02344	17.0
90.02710	0.4
91.03910	0.3
93.03381	0.3
93.06985	0.4
93.37317	0.3
95.01305	2.1
95.04952	0.5
96.95925	0.9
97.02869	2.9
97.06507	0.4
99.00792	1.2
101.02358	13.0
109.02863	0.3
109.06512	1.4
111.00790	0.4
111.04427	0.5
111.08071	11.8
112.08378	0.5
113.02371	6.8
119.03431	5.2
121.02838	0.5
123.04402	0.4
125.02390	4.8
125.06130	0.3
125.09580	0.3
127.07558	1.1
131.03426	1.0
137.02408	0.6
139.03957	0.5
141.01875	0.4
141.09154	0.3
143.03424	2.5
146.08156	0.7
150.70645	0.3
151.11195	0.7
152.99521	0.5
153.12782	1.0
159.03056	0.4
161.04572	3.0
163.11278	1.2
167.03397	0.4
167.10727	0.5
169.12305	5.7
171.10210	1.2
179.05577	3.8
179.10756	0.6
181.12296	1.7
183.13817	0.4
185.04506	0.5
191.05397	0.3
193.12189	0.4
197.11823	56.1
198.12151	3.4
199.09741	0.4
199.13397	2.8
201.11295	1.3
207.10294	1.7
209.11801	3.8
210.12167	0.4
211.13396	7.2
212.13712	0.6
218.10275	0.4
221.06714	1.1
224.21432	0.3
225.11362	1.3
227.12938	3.0
233.57770	0.4
235.08267	4.1
243.12350	0.5
245.06665	0.4
247.20708	0.8
253.09387	2.3
263.07700	0.9
263.20178	2.6
265.18146	1.4
273.18771	0.6
279.23108	0.3
287.07837	0.9
291.19730	16.3
292.19998	1.7
296.17258	0.4
305.08939	1.6
309.20801	100.0
310.21127	11.1
323.09842	1.0
333.20596	0.4
397.13608	25.7
398.13892	2.6
415.14694	36.9
416.15012	2.8
595.25653	0.4
627.37897	1.2
707.35071	5.4
708.35510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.1
61.98721	13.4
71.01275	5.0
71.52847	0.5
72.06359	0.4
72.99202	0.7
73.02840	0.9
73.18440	0.3
75.00760	0.5
78.95799	0.9
80.02577	0.4
81.03351	1.0
83.01282	0.7
83.04925	4.7
84.02061	1.0
85.02847	1.2
87.00767	2.4
88.98705	0.6
89.02334	3.2
95.04899	0.7
96.95892	0.7
97.02901	0.4
99.00772	0.5
101.02352	3.0
109.02879	0.5
109.06470	0.8
111.00800	0.4
111.04405	0.4
113.02366	1.2
119.03440	0.6
125.05976	0.4
125.09610	0.5
135.08180	0.5
137.02296	0.4
143.03426	0.4
145.05000	0.5
148.04001	1.0
152.99472	0.4
161.04523	1.2
163.11230	2.9
165.12767	1.8
167.03476	0.4
169.12296	1.4
171.10251	3.8
172.10483	0.4
174.01689	0.7
175.02248	0.4
181.12302	0.9
185.11790	0.6
190.40909	0.4
191.10806	1.1
197.11874	0.9
199.13348	0.6
201.11267	1.2
207.10289	1.9
209.11827	100.0
210.12187	6.4
223.09787	0.4
225.11343	1.9
227.12900	14.9
228.13284	1.0
235.08232	2.2
241.10843	0.4
243.12425	0.4
250.08070	0.4
253.09367	5.5
254.09779	0.4
259.15683	0.6
293.21426	0.4
307.19220	1.0
318.89404	0.4
440.42490	0.4
445.20895	2.3
461.20056	0.4
463.21466	0.5
543.33649	1.0
627.37091	0.6
637.32410	0.8
655.32965	0.5
667.38989	2.9
668.40686	0.4
669.18579	0.4
687.32355	0.6
705.33337	2.0
706.32190	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42215	0.9
56.47129	0.8
59.01260	2.5
59.68998	0.9
60.03733	1.0
61.98722	1.7
71.52007	0.8
71.52398	1.3
78.95798	100.0
85.37058	0.9
96.96869	7.6
99.92525	0.9
124.52969	1.0
129.09224	1.1
134.98396	1.1
138.06880	0.9
148.69182	0.9
150.98012	1.6
152.99536	48.0
153.99867	1.6
211.13417	2.7
217.00284	2.4
255.23340	55.8
256.23615	6.2
293.21280	3.1
311.22363	7.7
312.22986	1.2
391.22702	16.1
392.22961	1.4
409.23648	7.4
447.21609	9.0
448.22153	1.5
455.30951	0.9
465.22662	1.6
703.45721	42.0
704.45911	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	705.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35030	1.6
55.41935	1.4
57.03344	4.7
58.00491	3.0
59.00959	2.0
59.01264	42.0
59.85970	1.6
60.98880	1.4
60.99203	1.9
61.98722	18.3
63.26368	1.6
69.03342	4.6
71.01272	48.4
71.62684	1.5
72.99212	4.4
73.02840	7.8
75.00739	2.5
75.93992	1.6
76.60116	1.7
78.95807	5.0
81.03358	4.7
81.57528	1.7
83.01281	7.7
83.04917	2.5
85.02857	9.8
87.00763	9.6
88.85591	1.8
89.02343	38.9
93.65656	1.8
95.01286	3.2
95.04926	2.4
96.95930	5.5
97.02863	7.8
97.06490	8.9
99.00787	5.3
101.02346	26.0
109.06522	6.8
113.02364	14.2
119.03395	11.3
123.04448	4.1
125.02352	14.0
125.09644	8.3
127.11127	2.0
131.03471	2.1
135.08037	2.4
137.09651	4.6
141.01843	3.9
141.12852	1.8
143.03424	6.3
151.11290	3.1
161.04494	6.5
163.11230	9.2
165.12808	3.2
171.10201	2.9
174.01692	2.9
179.05562	6.9
179.10760	3.1
181.12274	4.7
183.13939	3.9
185.11818	7.8
191.10774	3.7
191.14468	10.1
193.12366	1.9
197.11852	4.3
201.11327	2.5
207.10271	14.8
209.11848	36.9
210.12247	2.2
211.13556	8.3
217.16022	2.2
221.06682	3.0
225.11360	12.4
227.12785	8.8
235.08238	11.9
237.11409	3.1
245.19124	17.7
253.09409	4.5
263.07819	1.9
263.20200	6.8
271.17267	2.2
277.21786	5.1
289.18173	71.6
290.18539	8.4
295.22995	2.2
307.19226	100.0
308.19629	9.0
325.20221	2.2
397.13623	53.0
398.13968	4.2
415.14703	41.6
416.14844	3.6
477.19397	2.2
607.26318	10.5
673.34314	6.1
705.33612	15.0
706.34607	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	699.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
55.70201	0.5
57.03329	1.6
58.00478	2.6
59.01267	45.2
60.01611	0.6
61.98707	1.4
71.01272	35.1
71.59798	0.5
72.99197	3.4
73.02837	6.2
75.00763	1.1
78.74167	0.4
80.83067	0.5
83.01282	3.3
83.27315	0.5
84.02036	0.5
85.02840	10.5
87.00759	1.7
87.04427	0.9
89.02338	27.2
90.02670	0.7
95.01286	2.7
96.95916	6.3
99.00771	1.2
101.02352	21.2
109.02869	0.7
113.02354	10.3
113.09612	0.6
119.03422	9.5
121.10180	0.7
123.08011	0.5
124.01563	0.6
125.02372	1.6
125.09650	0.9
131.03439	0.6
137.02359	0.7
137.09673	0.7
143.03476	1.2
146.02451	0.6
147.19670	0.5
153.09209	0.6
155.10733	0.7
161.04465	1.5
167.03389	0.5
167.10634	0.7
169.12317	0.7
173.16345	0.5
179.05679	2.2
187.13312	2.1
191.05568	0.5
216.13667	1.2
217.14435	6.5
218.14851	0.6
286.11957	0.5
297.16525	0.5
357.26590	0.9
375.27634	6.4
376.27878	0.6
377.16083	0.5
379.19846	0.5
519.31732	3.2
537.32935	11.9
538.33215	1.3
699.38245	100.0
700.26459	1.2
700.38544	21.0
727.99689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
61.98722	1.4
67.37853	0.5
71.00029	0.6
78.95789	2.5
105.97837	0.5
125.06076	0.5
147.14742	0.5
152.99553	1.0
164.07198	0.6
186.86658	0.6
255.23271	1.5
295.22882	0.8
430.65640	0.6
437.12570	1.0
438.13391	3.9
439.13760	0.8
451.14215	1.1
452.15005	2.2
453.15402	0.6
480.14392	0.8
481.15332	29.7
482.15723	8.9
484.14084	0.6
495.16919	12.3
496.17386	2.4
497.18701	5.4
498.18561	1.4
504.91974	0.5
514.15192	2.3
521.14960	0.6
523.16034	0.7
524.16937	0.6
525.14624	1.0
528.16882	0.5
539.16168	2.5
540.16522	8.1
541.17090	2.3
551.19519	0.6
554.18164	3.1
555.19037	55.9
556.19269	15.0
567.18976	0.9
572.15723	15.7
573.15808	3.5
586.17255	6.2
587.17462	1.2
609.19916	1.8
627.21875	0.9
641.22766	29.0
642.22925	7.9
701.24866	74.5
702.12854	1.2
702.25061	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	701.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70924	0.8
56.96430	0.9
57.81065	0.8
58.56283	1.0
59.01258	3.6
61.98713	3.0
62.65216	0.8
78.95798	100.0
96.96862	7.8
98.20557	2.5
103.91964	1.1
111.08091	1.1
133.22234	0.9
142.20172	0.9
150.98016	1.3
152.91599	2.0
152.99533	64.1
171.00658	1.1
192.95854	1.1
194.92786	2.3
194.95514	1.1
197.11742	4.5
209.11700	1.6
217.00284	3.5
234.89726	0.9
241.29541	0.9
253.21700	1.4
255.23351	45.7
256.23682	3.4
264.21860	0.9
270.83096	1.0
291.19754	2.0
293.21445	1.2
309.20804	3.7
310.90683	1.4
311.22281	1.7
325.16974	1.1
334.37076	1.0
350.94922	1.8
352.91452	4.6
391.22693	15.0
392.23071	1.6
409.23752	8.5
445.19904	7.5
447.21701	4.2
463.21039	1.6
464.21310	1.1
465.22723	17.8
466.22940	1.5
701.44189	26.2
702.44348	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	699.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01261	1.3
61.98719	1.4
62.63198	0.4
71.01271	3.6
71.59988	0.8
72.10352	0.4
73.02837	0.9
78.95764	0.7
83.01315	0.4
84.47045	0.3
85.02859	1.2
87.00747	0.4
88.98702	0.4
93.03348	1.8
96.95895	1.2
101.02355	1.6
108.02108	2.0
109.02865	6.1
111.00795	0.7
113.02354	1.3
117.03390	1.3
119.04942	0.7
121.02869	12.8
122.03674	8.7
123.00746	0.4
123.04460	2.8
124.01575	1.6
125.02400	0.4
129.03369	0.6
132.02103	13.4
133.02927	2.6
134.03667	22.9
135.04504	2.4
136.01559	0.6
136.05228	0.9
137.02367	3.7
139.03871	0.5
145.02904	1.8
146.03653	0.6
147.04471	6.6
148.05176	0.9
149.06017	6.0
150.03156	1.0
151.03938	0.5
152.01122	1.9
152.99495	0.6
154.02644	1.3
160.01610	65.4
161.02075	3.5
161.06023	2.3
163.03915	1.4
164.04729	0.9
165.05525	23.2
166.05840	0.4
167.03445	3.0
168.04248	0.4
175.03966	82.3
176.04367	4.7
177.01825	0.7
177.05556	0.8
178.02658	1.6
178.06258	0.6
179.03412	1.3
179.07101	7.8
180.07394	0.5
191.07085	1.5
193.05043	20.0
194.05328	1.2
202.02762	0.4
203.65274	0.4
209.08214	0.5
209.11850	1.1
217.05048	1.4
218.05881	0.6
223.09692	0.9
227.12865	0.5
235.06175	0.9
268.85733	0.4
283.09894	0.5
298.12125	0.5
307.08334	0.5
313.14532	1.1
315.05347	0.4
315.12424	2.5
316.13147	0.6
322.07187	0.6
331.07315	0.4
331.15671	0.5
337.09369	100.0
338.09735	7.6
345.13547	0.4
346.14276	8.2
347.15091	5.5
357.13779	0.4
361.16656	46.1
362.16998	4.7
519.20410	1.6
537.20612	0.5
699.26813	42.8
700.27075	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	699.362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61648	3.5
58.51839	3.8
59.01268	39.9
61.98720	30.4
62.41850	3.8
71.01270	24.5
72.67750	3.7
73.02831	5.3
78.95792	9.9
83.04918	6.2
83.43852	3.7
85.02828	6.6
87.00799	6.7
89.02325	13.1
93.03424	3.4
95.01296	5.3
96.95924	10.4
101.02345	14.7
103.44572	3.4
111.08102	6.0
113.02345	9.3
121.02834	8.2
125.02418	4.0
125.09651	8.2
126.10306	3.7
146.02441	7.7
152.99547	5.6
161.04546	7.1
171.10234	78.9
205.15973	4.7
207.10014	6.9
209.11824	10.0
211.13393	9.8
231.13756	5.2
233.15477	15.3
235.08217	6.8
249.15067	23.8
263.94489	3.6
288.88995	4.2
307.19061	4.9
329.17386	36.7
367.22641	4.4
375.25522	5.7
385.24011	16.6
403.25024	32.8
404.25421	5.2
421.25848	9.6
621.32886	63.5
622.33038	12.6
639.33960	100.0
640.34784	19.9
672.33319	6.6
712.69434	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	699.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
55.70201	0.5
57.03329	1.6
58.00478	2.6
59.01267	45.2
60.01611	0.6
61.98707	1.4
71.01272	35.1
71.59798	0.5
72.99197	3.4
73.02837	6.2
75.00763	1.1
78.74167	0.4
80.83067	0.5
83.01282	3.3
83.27315	0.5
84.02036	0.5
85.02840	10.5
87.00759	1.7
87.04427	0.9
89.02338	27.2
90.02670	0.7
95.01286	2.7
96.95916	6.3
99.00771	1.2
101.02352	21.2
109.02869	0.7
113.02354	10.3
113.09612	0.6
119.03422	9.5
121.10180	0.7
123.08011	0.5
124.01563	0.6
125.02372	1.6
125.09650	0.9
131.03439	0.6
137.02359	0.7
137.09673	0.7
143.03476	1.2
146.02451	0.6
147.19670	0.5
153.09209	0.6
155.10733	0.7
161.04465	1.5
167.03389	0.5
167.10634	0.7
169.12317	0.7
173.16345	0.5
179.05679	2.2
187.13312	2.1
191.05568	0.5
216.13667	1.2
217.14435	6.5
218.14851	0.6
286.11957	0.5
297.16525	0.5
357.26590	0.9
375.27634	6.4
376.27878	0.6
377.16083	0.5
379.19846	0.5
519.31732	3.2
537.32935	11.9
538.33215	1.3
699.38245	100.0
700.26459	1.2
700.38544	21.0
727.99689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.4
61.98718	1.5
71.01266	4.0
71.10947	1.1
73.02869	0.7
75.46865	0.7
78.95768	0.6
79.81932	0.5
83.01277	0.8
84.02110	0.5
85.02840	0.8
87.00774	0.6
89.02374	0.6
93.03372	0.6
96.95927	1.4
101.02361	2.3
101.78281	0.5
108.02082	0.6
113.02367	1.6
116.92773	1.0
117.03374	2.6
119.04961	2.6
120.02054	0.5
120.99567	0.8
121.02886	3.2
122.03729	0.8
123.00790	1.2
123.04427	1.3
124.01553	0.9
125.02359	0.9
132.02095	18.3
133.02945	2.9
134.03668	29.7
135.04387	1.9
136.05235	0.8
137.02400	1.8
138.03146	0.6
139.03938	0.7
143.04932	0.8
145.02901	6.8
147.04459	1.8
149.02382	1.6
149.06041	5.8
150.03166	6.0
151.03889	0.9
158.03696	2.8
159.04460	6.4
160.01614	85.8
160.05240	21.9
161.02060	4.5
161.06035	6.9
163.03949	6.7
164.04730	5.4
167.03471	1.0
173.06046	3.0
174.03181	0.6
175.03975	97.6
175.07574	17.3
176.04350	5.8
176.08047	1.1
177.01984	0.6
177.05515	6.0
178.02641	1.3
178.06319	4.6
179.03459	1.6
190.06236	0.6
191.03558	0.7
191.07115	1.7
193.05048	25.6
193.08669	1.8
194.05400	1.4
195.06598	0.5
205.05000	0.8
207.06650	0.6
217.05042	1.7
235.06169	0.8
307.08432	4.1
314.11737	2.0
315.12552	3.5
316.12686	0.7
322.06998	1.2
322.84454	0.6
326.11493	0.7
329.14023	36.6
330.14362	4.0
337.09366	100.0
338.09720	9.8
338.13516	0.5
345.13510	6.1
346.13843	0.9
359.14990	1.2
409.73761	0.6
489.17993	0.6
685.09961	0.6
697.25171	54.1
697.34637	1.9
698.25623	11.9
698.37512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.8
61.98724	2.7
64.99482	0.2
69.39694	0.4
69.40099	1.8
70.80097	0.2
71.01290	0.6
93.03355	0.4
96.95914	0.5
101.02370	0.5
106.16702	0.2
107.01315	0.3
113.02379	0.3
116.92781	0.4
117.03350	0.2
121.02917	0.3
125.02348	0.6
132.02109	3.6
133.02870	0.6
134.03703	2.0
135.00819	0.2
135.04449	0.8
137.02406	0.4
139.03964	0.3
139.40613	0.2
145.02968	0.3
146.34319	0.2
147.04431	0.3
151.00293	0.3
151.04134	0.2
160.01619	11.9
161.02483	1.2
167.03458	0.4
175.03967	7.7
176.04471	0.5
177.01842	0.3
179.03401	0.4
193.05061	1.1
202.02782	0.5
213.01973	0.4
214.02570	0.3
225.01822	0.2
229.01488	0.5
230.02147	1.3
241.01433	3.8
242.02231	8.6
243.02943	2.1
257.00940	4.4
257.04993	0.3
257.98999	0.4
258.01730	8.9
259.02155	0.7
269.00919	2.5
270.01752	3.7
271.02377	1.2
272.03299	2.6
273.04117	13.2
274.04611	1.4
285.00497	2.6
286.01251	8.5
287.01752	0.8
287.05692	3.4
288.06253	0.2
299.01944	0.4
300.02850	2.6
301.03589	12.6
302.00555	0.2
302.03870	1.1
314.00833	1.1
314.04211	0.3
315.01721	0.5
315.05115	2.8
316.05917	4.8
317.06421	0.4
323.07855	2.5
328.02353	1.3
329.03113	13.2
330.03394	1.4
337.09427	3.6
343.04688	5.6
344.05429	37.6
345.05887	4.5
355.25064	0.3
359.07800	100.0
360.08157	10.3
373.09302	1.5
373.26065	0.8
401.08792	0.4
435.69104	0.3
564.46204	0.2
646.33514	0.2
682.15546	0.8
697.17889	10.3
697.29651	0.4
698.18152	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	697.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15970	0.3
59.01275	0.8
61.98715	2.4
67.98164	0.3
71.01295	1.2
71.62329	0.3
71.62762	0.4
73.02858	0.4
79.53512	0.3
85.02859	0.4
88.98729	0.4
89.02364	0.5
91.01812	0.3
93.03436	0.3
96.95927	0.7
101.02388	0.6
109.02848	0.4
109.97800	0.3
117.03406	0.7
119.01345	0.8
119.04967	0.7
120.20011	0.3
121.02923	0.5
123.04498	0.3
124.01560	0.3
125.02378	1.8
134.03682	0.7
135.04475	0.4
137.02365	0.6
141.09203	0.8
145.02887	2.4
147.00842	0.6
149.02417	1.6
150.03139	0.7
151.00366	0.5
159.02948	0.3
160.01656	1.1
163.04012	0.6
164.04793	1.1
165.02016	0.3
165.05522	0.3
167.03467	0.7
171.10185	0.3
175.00336	6.0
175.03873	1.5
176.01085	1.3
177.05582	0.3
179.03488	0.4
189.01967	0.6
190.02701	11.4
191.03377	1.6
191.05437	0.3
193.05078	0.9
194.02148	0.5
199.03995	1.1
205.05064	6.6
206.05414	0.5
209.04608	0.4
214.02718	0.5
215.03485	1.2
223.06107	0.6
226.02777	0.4
227.03511	1.5
229.01459	0.5
235.06171	0.5
241.01459	1.0
242.02213	5.6
243.03009	17.3
244.03372	1.1
245.00934	1.2
251.05780	0.4
255.03058	0.5
257.04602	5.7
258.05164	0.6
263.12891	0.5
270.01746	7.6
271.02533	19.6
272.02902	1.4
285.04111	12.3
286.04779	4.0
298.01221	1.1
299.02017	10.1
300.02634	1.1
307.08237	1.5
312.02682	0.4
313.03604	9.1
313.07208	0.5
314.04382	41.6
315.04803	3.5
328.05869	1.2
329.06735	100.0
330.07059	10.5
337.09311	0.9
343.08344	3.9
353.08847	5.0
354.09094	0.5
359.07996	0.4
367.10419	4.3
371.07803	0.5
535.21838	1.3
535.30566	0.4
682.16364	0.6
697.17627	10.0
698.17871	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	697.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	100.0
60.01611	0.8
61.98721	0.5
71.53049	0.5
78.69872	0.3
78.95775	0.3
89.11539	0.2
92.12399	0.3
94.27271	0.3
96.95930	0.5
121.02876	1.9
121.91650	0.3
171.10274	1.1
191.03571	0.8
209.04659	1.1
237.54787	0.3
279.23477	0.4
289.18292	0.4
307.19513	0.3
309.20786	0.5
310.21231	0.6
318.21075	0.3
372.97372	0.3
402.66379	0.3
491.41461	0.3
593.13623	1.1
633.67188	0.3
640.93176	0.3
655.60602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	0.6
59.01022	0.4
59.01266	11.1
59.26168	0.3
71.01270	7.9
71.16199	0.4
71.25362	1.0
72.04621	0.4
72.99194	1.0
73.02847	0.7
83.01274	0.7
85.02846	1.9
87.00764	0.8
89.02338	7.9
95.01293	0.5
96.95920	0.7
97.06424	0.4
99.00802	0.4
99.08059	7.9
99.08644	0.7
101.02349	6.3
113.02365	3.5
119.03412	3.8
125.02312	0.7
127.07581	3.3
129.09155	0.6
141.09151	1.5
145.08643	35.0
146.08977	1.2
154.90576	0.4
162.01872	0.4
163.72159	0.4
169.98845	0.4
176.71680	0.5
179.05550	0.6
187.09697	1.3
189.02824	0.5
195.06583	0.5
205.08574	0.5
246.63901	0.4
307.14059	100.0
308.14429	7.8
337.91077	0.4
381.66171	0.4
434.21921	0.4
521.20300	0.7
543.53552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.1
61.98720	100.0
62.98417	0.2
78.95815	0.3
123.04420	0.1
125.09666	0.1
127.07610	0.1
128.85997	0.1
153.09206	0.3
163.11253	0.2
171.10249	0.3
178.09930	0.1
185.11835	0.4
191.14526	0.1
197.11868	0.2
209.11824	1.2
210.12383	0.1
238.12161	0.1
245.19138	0.2
256.83112	0.1
271.17334	0.1
278.36191	0.1
279.23331	0.1
289.18161	1.5
290.18628	0.2
307.19217	4.7
308.19516	0.5
325.20276	4.5
326.20685	0.4
344.05634	0.1
353.42337	0.1
435.94171	0.1
500.41821	0.1
504.37924	0.1
591.55865	0.1
597.38361	0.1
615.39227	0.2
633.40613	0.5
634.39929	0.1
642.51935	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	695.314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80869	0.3
56.72153	0.4
58.45247	0.3
59.01267	100.0
60.01589	0.8
61.98702	1.0
70.77315	0.5
70.77689	0.7
78.95800	9.1
80.96426	0.8
115.04011	0.3
152.99533	0.9
156.18181	0.4
182.29182	0.4
205.15999	0.9
279.23349	0.9
345.98959	0.4
361.54993	0.3
447.13373	0.5
534.93054	0.4
695.31287	37.7
696.31592	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	691.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63961	0.5
57.03329	0.4
59.01275	3.2
61.98716	7.6
71.01273	3.1
71.52583	0.7
72.99189	0.5
73.02822	0.6
74.26261	0.5
74.67068	0.4
75.00755	0.6
78.95782	1.4
80.02573	0.8
81.03354	1.1
83.01250	0.6
83.04921	3.7
84.02032	0.6
85.02848	1.1
87.00732	0.7
89.02349	2.1
95.04906	0.6
96.95909	1.8
97.02834	0.7
101.02355	2.4
113.02378	1.6
119.03418	0.5
125.09686	1.2
127.11179	0.6
135.08049	1.4
143.03450	0.6
152.99471	1.3
155.10756	1.1
157.28061	0.5
161.04515	1.3
163.11240	3.3
165.09177	0.5
165.12857	2.2
171.10219	3.1
185.11758	0.6
191.05602	0.6
191.10765	0.7
199.09856	0.6
199.13435	0.7
201.11313	23.4
202.11647	0.8
207.10339	0.5
209.11826	100.0
210.12192	6.7
226.11699	0.5
227.12898	15.8
235.08173	3.0
253.09300	8.5
272.21460	0.5
277.21759	0.7
281.79697	0.4
305.87857	0.4
329.76202	0.4
375.21759	1.0
393.23013	0.7
426.54007	0.5
437.20190	0.9
445.20990	2.9
446.21146	0.6
473.02661	0.5
477.30484	0.6
559.09186	0.5
611.31067	0.6
631.40692	0.9
638.15558	0.5
655.33734	0.9
691.33289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
59.01271	7.3
59.23407	0.7
61.98716	6.7
65.99297	0.8
71.00892	0.9
71.01268	11.2
71.29658	1.3
71.30015	1.0
72.61694	0.7
73.02839	1.7
74.79829	0.8
78.95787	2.5
80.02567	1.5
81.03337	1.4
83.01245	1.2
83.04925	4.8
84.02056	1.0
85.02827	2.0
89.02331	3.9
95.04910	1.8
96.95885	0.9
97.02811	0.8
97.06492	4.9
99.00790	1.2
101.02344	5.0
109.06543	0.6
111.04523	0.8
113.02357	2.8
119.03392	0.9
125.09621	1.2
126.30534	0.9
151.11234	13.2
152.11646	0.8
152.99550	0.9
161.04501	2.1
163.11279	3.3
165.12773	1.7
169.12311	75.9
170.12674	3.7
171.10242	5.3
179.05690	0.9
195.10260	1.2
197.11708	0.8
199.09825	0.7
201.11345	1.3
207.10228	1.1
209.11836	48.9
209.68787	0.8
210.12152	4.6
211.13396	6.0
213.11322	10.7
225.11308	1.9
227.12904	5.1
235.08220	1.9
235.33519	0.8
253.09354	5.0
259.19138	4.9
267.09131	1.2
277.21729	1.0
293.21219	1.1
389.21722	1.1
431.19406	2.1
449.20337	4.2
641.31274	1.7
659.32996	100.0
660.33295	20.2
691.35529	12.4
692.36127	3.6
722.61389	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94881	0.4
53.33193	0.3
55.01756	0.6
57.03335	0.6
58.00472	0.8
58.16658	0.4
59.01268	15.1
61.98721	12.9
63.66899	0.4
68.02953	0.4
68.08582	0.4
69.03336	0.9
69.71864	2.0
71.01273	15.2
72.99192	1.6
73.02840	1.9
78.95783	2.0
81.03367	0.6
83.01279	1.4
85.02859	2.2
87.00791	2.8
89.01818	0.8
89.02343	10.7
95.01281	0.8
96.95911	0.8
96.96870	0.6
97.02852	1.8
98.20518	0.7
99.00777	1.0
101.02358	9.4
109.06476	0.8
111.08032	0.5
113.02374	4.0
119.03402	3.2
123.00775	0.4
123.04456	0.4
125.02365	3.9
131.03413	0.7
136.43466	0.4
137.02388	0.4
139.03960	0.6
141.01849	0.5
143.03448	1.7
152.99574	0.7
161.04521	1.8
171.10292	2.0
179.05594	2.4
186.83005	0.4
195.13887	6.9
196.14407	0.8
197.11725	0.4
199.09756	0.5
201.11314	0.7
205.12276	0.6
205.15915	0.5
207.10179	0.5
209.11760	1.5
211.13483	2.8
219.06581	0.4
221.06772	0.9
223.13416	5.9
224.13858	0.5
225.11646	0.4
227.12892	0.7
228.13658	0.9
235.08289	4.1
253.09323	1.5
256.13126	0.6
263.07611	0.5
275.20261	3.9
276.20670	0.5
277.21967	1.0
287.07733	1.1
293.21310	100.0
294.21646	10.7
305.08792	1.1
323.10037	0.5
329.11612	0.5
397.13586	23.5
398.13855	2.4
415.14661	26.6
416.14941	2.2
654.27380	0.7
691.35461	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	689.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.9
58.00475	1.0
59.01270	20.7
59.01571	1.2
61.98722	10.9
62.39392	0.5
67.22157	0.6
68.00523	0.6
68.99693	0.6
69.03341	1.8
71.01275	36.4
71.04937	0.6
71.55477	0.8
71.55838	0.6
72.99196	2.1
73.02838	4.3
75.00770	1.0
78.95796	1.2
80.02580	0.9
81.03357	2.1
83.01282	2.0
83.04919	4.5
84.02077	0.8
85.02857	5.1
87.00768	5.5
89.02342	16.8
93.03355	0.7
95.01295	1.6
95.04923	1.6
96.95901	0.7
97.02827	3.5
97.06495	0.9
99.00772	1.3
101.02349	16.0
109.06508	3.4
110.03643	0.6
111.00800	0.8
111.04450	1.3
113.02357	7.9
119.03423	4.9
121.02866	0.8
123.04424	0.9
124.01606	0.7
125.02369	6.0
125.05984	1.2
125.09648	2.0
127.11211	1.1
133.04999	0.6
135.08058	0.7
141.01785	0.8
141.91296	0.7
143.03471	3.4
148.08835	0.8
149.67844	0.6
150.10474	1.3
151.11256	0.8
161.04524	3.8
163.11229	5.6
165.12804	18.7
166.13116	0.7
169.12372	0.8
171.10237	17.9
179.05617	3.6
181.12292	2.5
183.13837	0.7
185.11806	1.4
191.10667	0.6
197.11827	3.4
198.34361	0.6
199.09767	0.7
199.13397	1.4
201.11328	9.4
207.10248	9.2
208.10652	1.0
209.11836	56.7
210.12151	3.1
211.13319	0.6
215.12846	0.8
221.06696	1.5
225.11334	17.5
226.11641	1.7
227.12909	7.1
235.08240	8.2
243.12376	2.2
247.20709	10.4
248.21045	0.7
251.12932	0.9
253.09370	6.6
263.08057	0.8
273.18713	5.4
274.19162	0.7
277.09409	0.7
287.07791	1.8
291.19745	100.0
292.20065	9.0
295.10651	0.6
305.08786	1.7
323.09772	1.3
397.13602	46.3
398.14029	3.2
415.14688	26.3
416.15143	2.4
445.21045	0.7
461.20361	3.1
625.80029	0.6
629.39319	0.7
635.30957	0.9
636.31317	0.7
653.32190	1.3
657.31702	0.9
671.33704	2.9
672.33948	1.0
689.33856	9.7
690.34399	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01033	2.4
59.01267	24.5
60.78115	2.4
71.53726	3.5
78.95797	100.0
81.96779	2.2
87.89713	2.4
96.96851	10.5
113.07545	2.4
138.81955	2.7
152.99538	74.1
174.99158	7.1
195.13896	7.6
201.02481	3.1
216.92476	3.3
217.00305	21.9
218.90556	3.1
255.23338	92.5
256.23676	11.9
260.91476	3.9
277.21689	6.1
279.23175	2.9
280.23856	2.8
295.22842	28.3
296.23138	4.9
298.96631	2.6
304.90692	5.5
322.91638	5.2
336.69876	3.1
359.01483	5.6
391.22589	29.0
392.23044	5.7
409.23666	9.6
431.22400	15.9
448.95444	7.4
449.23071	4.4
462.89288	12.1
480.90775	5.0
604.90961	10.1
605.91052	6.0
687.46063	43.9
688.46582	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	685.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35954	0.4
55.01764	0.6
57.03338	1.0
58.00483	4.1
59.01265	100.0
60.01596	1.0
61.98720	0.6
62.94244	0.4
65.00230	0.4
71.01271	60.9
71.60273	0.5
72.01609	0.6
72.99197	4.9
73.02847	1.3
83.00799	0.5
83.01291	1.8
85.02847	8.9
87.00770	4.2
89.02339	80.2
89.15678	0.4
90.02684	1.1
95.01291	3.3
96.95921	1.7
97.02824	0.5
101.02348	28.7
102.02670	0.8
113.02361	23.5
119.03423	30.2
120.03729	0.7
125.02357	1.5
131.03435	4.4
135.57750	0.4
137.02325	0.6
139.00333	0.6
143.03442	8.9
149.04509	2.8
151.03920	0.7
154.73022	0.4
161.04521	7.6
165.05435	0.5
167.03386	0.6
173.08176	0.5
178.99779	0.5
179.05592	22.9
179.07056	0.8
180.05916	0.5
180.07845	0.6
191.05560	0.5
225.03432	0.4
257.00790	0.6
270.08792	1.1
285.11450	0.5
298.08377	0.7
299.09100	0.5
313.10675	1.3
325.10901	0.5
329.10239	1.6
331.04431	0.6
341.10379	5.2
344.12482	1.9
356.12766	3.9
357.12585	0.7
359.04211	0.5
359.15118	3.8
371.15082	16.7
372.15247	1.6
463.19507	0.6
608.55890	0.5
625.24554	1.1
685.15717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.1
55.15276	0.2
57.03339	1.6
58.00480	1.1
59.01268	24.5
61.98708	0.9
68.95820	0.2
69.03354	0.6
69.52046	0.5
69.52458	1.2
71.01272	29.0
72.01604	0.3
72.99210	2.1
73.02841	5.6
75.00760	0.7
83.01282	3.8
85.02850	11.2
87.00769	2.1
89.02343	14.0
90.02668	0.3
95.01292	2.3
96.95907	1.3
97.02846	0.9
99.00777	2.4
101.02351	20.1
102.02689	0.8
108.02124	0.4
109.02859	0.7
111.00785	1.7
113.02359	10.0
116.92742	0.5
119.03436	5.2
121.02847	0.3
125.02369	0.8
129.01852	0.6
130.94926	0.2
131.03419	0.4
135.04388	0.3
137.02344	0.3
141.01759	0.3
143.03421	0.8
152.01050	0.5
153.01819	0.4
159.02957	1.2
161.02379	0.3
161.04504	1.8
179.05592	0.8
181.05025	0.3
187.13239	0.3
221.08157	0.4
255.23378	0.3
288.06091	0.3
315.25394	0.9
316.02048	0.4
343.28497	0.5
345.26630	0.5
359.27963	0.7
361.29669	8.8
362.29980	0.8
505.33783	0.4
523.18396	0.3
523.34985	8.7
524.35645	1.6
685.40295	100.0
686.40637	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	683.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.0
57.03341	1.6
58.00481	1.8
59.01265	37.6
60.19898	0.3
71.01270	29.8
71.14925	0.6
72.99200	2.2
73.02834	5.0
83.01274	3.2
84.28371	0.4
85.02845	10.6
87.00769	1.6
89.02339	17.0
95.01302	2.5
99.00793	1.4
101.02352	16.6
102.02699	0.4
111.00809	0.4
113.02357	10.0
114.02666	0.4
115.03985	0.4
117.64221	0.4
119.03422	7.0
125.02322	0.4
131.03430	0.8
133.02870	0.9
135.04457	0.8
143.03435	0.8
149.04443	0.5
159.02988	0.8
161.02426	2.2
161.04492	1.9
179.05545	1.9
187.13348	1.7
191.05525	0.9
246.95200	0.3
285.47858	0.3
299.26016	0.3
314.75107	0.3
323.08060	0.6
341.26871	0.9
359.28101	2.8
496.22156	0.3
503.32678	2.0
504.32800	0.5
521.33392	10.1
522.33594	1.1
528.05133	0.4
683.38739	100.0
684.39105	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	683.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55329	0.3
57.03333	0.4
58.00486	0.8
59.01268	26.8
62.69450	0.3
70.26456	0.3
70.92924	0.6
70.93250	0.4
71.01272	21.2
72.99192	1.6
73.02854	0.6
78.95801	1.8
80.96407	0.7
83.01274	0.5
85.02839	3.6
87.00769	1.7
89.02339	27.1
90.02715	0.4
95.01299	1.2
96.95911	0.9
96.96889	0.9
97.02801	0.4
98.20563	0.3
99.00787	0.4
101.02349	10.7
109.02858	0.6
111.00750	0.7
113.02360	8.2
119.03422	9.0
125.02404	0.4
131.03432	1.3
134.27647	0.3
143.03468	2.1
146.02446	0.4
149.04515	1.2
161.04500	3.2
165.04158	0.7
179.05573	13.3
189.01942	0.3
191.01941	0.7
191.05569	1.1
214.00415	0.8
252.35413	0.3
265.58325	0.4
279.05212	0.7
317.05511	1.4
323.04453	0.6
341.10977	100.0
341.91165	0.4
342.07513	0.5
342.11331	7.4
349.05865	0.6
411.02582	0.5
416.97296	0.4
434.43515	0.4
454.53461	0.4
516.60785	0.3
683.18787	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63515	0.2
55.01775	1.8
57.03342	2.0
58.00484	1.8
59.01268	28.7
60.01615	0.3
61.98731	0.3
68.99715	0.2
69.03351	0.3
71.01272	34.5
71.15669	0.2
71.16009	0.3
72.01614	0.4
72.99198	2.6
73.02840	7.2
75.00774	0.6
83.01279	4.5
84.02100	0.2
85.02848	13.5
85.99978	0.2
86.03192	0.4
87.00776	1.9
87.04398	0.2
89.02341	17.2
90.02705	0.2
93.03377	0.3
95.01283	2.9
96.95917	0.4
97.02853	0.3
99.00785	2.8
100.97341	0.2
101.02351	21.3
102.02685	0.4
108.02081	0.8
109.02886	0.8
111.00801	0.7
112.01604	0.2
113.02360	12.3
113.09628	0.4
114.02669	0.4
119.02573	0.3
119.03427	5.7
124.01530	0.2
125.02372	0.6
125.09647	0.2
129.01868	0.6
131.03430	0.7
135.11784	0.2
135.55070	0.2
139.00272	0.2
139.11229	0.3
141.01852	0.3
143.03438	1.0
145.02852	0.3
146.61504	0.2
149.04565	0.3
152.01088	0.9
153.01898	0.5
153.09163	0.8
159.02928	0.9
161.02428	0.3
161.04507	1.9
167.10715	0.7
169.12286	0.3
169.99956	0.2
175.03860	0.2
179.05617	1.0
187.13376	4.3
188.13704	0.2
191.05605	2.0
221.40622	0.2
277.21878	0.3
279.23441	0.2
295.22882	0.2
299.26038	0.7
307.08197	0.2
309.24463	0.3
313.24072	0.3
327.25854	0.2
329.26935	0.6
339.25616	0.3
341.26971	0.7
357.26593	1.0
359.28125	7.1
360.28503	0.7
363.30560	0.2
390.21970	0.2
498.27112	0.2
503.32397	1.5
521.17249	0.4
521.33423	12.4
522.33746	1.6
552.28430	0.2
595.65961	0.2
661.86639	0.2
683.38763	100.0
684.39087	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	683.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
55.06774	0.4
57.03313	0.7
59.01270	4.2
61.98724	1.4
65.00220	0.8
69.53782	1.9
69.54216	2.3
71.01276	8.7
73.02831	3.0
78.95800	0.7
83.01302	1.8
85.02849	3.9
85.51601	0.5
89.02359	1.8
93.03354	0.6
95.01310	0.6
96.95932	2.1
97.02841	0.6
98.19776	0.6
99.00795	0.6
101.02348	5.3
102.02728	0.6
107.01296	1.0
108.02074	0.9
109.02900	0.9
113.02347	2.9
116.92782	1.1
117.03365	0.7
119.03423	1.2
119.04928	0.8
121.02912	3.4
123.00774	0.5
125.02376	1.3
129.23700	0.5
132.02098	2.3
133.02887	3.3
134.03683	3.9
135.04488	2.5
137.02377	1.3
145.02885	1.9
146.02428	13.9
146.03531	0.8
147.02765	2.0
147.04588	0.6
149.02388	0.7
149.06004	0.7
151.00354	3.4
159.02942	0.6
160.01617	9.3
161.02396	8.6
161.04498	3.9
163.00310	1.8
163.03934	0.7
167.03413	0.7
169.01482	0.7
174.03246	1.6
175.03973	6.6
177.01935	0.7
177.05492	0.9
178.02690	0.6
179.03456	2.4
179.05663	0.5
187.03989	0.7
191.05600	1.9
193.05054	2.0
199.04025	0.6
202.02760	2.6
203.03508	2.2
207.06886	0.6
209.04614	0.6
213.01968	0.6
214.02710	1.5
215.03517	2.1
221.04633	0.9
229.01439	0.6
230.02220	7.8
231.02870	2.5
241.01540	2.0
242.02306	2.3
243.03064	5.5
244.03499	0.6
258.01749	14.5
259.02475	11.1
260.02975	1.0
269.00989	4.1
270.01715	3.0
271.02518	5.0
272.02948	0.6
273.04190	2.6
284.03281	1.6
285.00299	0.6
285.04025	1.3
286.01279	29.6
287.02023	24.2
288.02432	1.7
298.01346	2.2
299.01797	0.8
300.02582	0.9
301.03625	27.1
302.04102	3.7
313.03781	0.9
314.00760	6.8
315.01541	30.0
316.02179	3.0
316.05219	0.6
323.07822	14.3
323.86328	0.6
324.08066	1.1
328.02417	1.0
329.03113	60.9
330.03860	73.0
331.04187	6.4
337.09277	1.8
343.04712	0.8
344.01871	0.7
344.05478	4.3
345.06238	100.0
346.06558	7.7
357.26517	3.5
358.27005	4.4
359.03568	0.8
359.07834	10.6
359.27994	4.5
360.08319	0.8
446.40497	0.6
489.10175	0.8
492.09451	0.6
493.24600	8.6
494.24911	7.9
507.11606	6.9
508.11957	0.8
519.31976	0.9
520.32446	2.7
521.33105	1.5
556.97858	0.6
653.11420	1.0
668.13885	7.9
669.14441	1.5
682.30945	1.5
683.16309	94.7
684.16699	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	683.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00436	0.7
59.01274	5.5
61.98689	2.5
71.01274	5.5
71.52849	1.2
73.02831	1.6
78.95776	0.8
81.88722	0.8
83.01248	1.0
83.04908	1.0
85.02851	1.9
89.02302	2.5
95.01239	0.9
96.95870	2.7
101.02296	2.8
101.87743	0.8
107.01283	1.3
108.02052	1.1
109.02815	2.4
113.02296	2.3
116.92661	0.8
117.03329	1.0
119.04887	1.7
121.02820	1.8
123.04420	0.8
125.02301	0.8
133.02888	6.7
133.52849	0.8
134.03665	1.0
135.00760	1.5
135.04463	4.8
137.02336	1.5
143.04872	0.8
145.02808	2.9
147.00684	0.8
147.04399	0.8
149.02295	3.5
150.03157	1.2
151.00252	2.9
153.01797	0.9
160.01547	1.3
161.02386	16.5
161.04419	1.3
162.01822	3.3
163.00240	1.4
163.03848	1.5
164.04657	2.2
165.05469	1.7
167.03383	1.4
171.04308	0.9
175.00204	2.5
175.03825	2.5
175.07614	1.2
176.01004	2.8
177.05487	1.0
179.03333	2.6
190.02684	5.2
191.03456	4.9
195.06577	1.3
199.03885	3.1
201.01772	1.1
203.03482	1.2
205.05008	3.6
209.04491	1.0
209.11827	11.1
210.12080	1.4
215.03325	2.4
226.02586	3.1
227.03470	4.5
227.12903	3.9
228.13190	1.5
242.02032	0.9
243.03035	10.2
254.02151	3.5
255.03024	13.6
271.02539	77.9
271.05472	2.7
272.03006	7.4
283.02197	0.8
299.02069	49.7
300.02805	100.0
301.03253	9.6
313.03317	1.5
314.04367	5.7
315.05173	95.7
316.05472	8.9
323.07559	2.1
329.03268	1.3
329.06726	12.6
329.13705	1.0
330.03571	1.1
330.07031	1.3
337.09207	1.2
345.06018	2.0
353.08838	14.5
354.08936	1.6
359.27188	0.8
477.04825	1.0
477.10446	9.3
478.10242	1.1
521.32556	1.8
668.12909	2.5
683.15625	63.9
683.38220	7.2
684.16052	12.3
684.24207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.6
57.03331	1.7
58.00481	2.3
59.01268	44.2
61.98714	1.9
71.01274	38.4
71.04919	0.7
71.56127	1.2
72.99204	3.6
73.02833	6.6
83.01284	4.2
83.04903	0.6
85.02850	12.1
87.00772	2.2
87.04372	0.5
89.02342	22.0
93.03326	0.5
95.01289	3.0
96.95916	2.1
97.02834	1.0
98.95448	0.6
99.00771	2.7
101.02351	25.8
102.02721	0.7
111.00801	0.6
113.01615	1.0
113.02361	13.2
116.92779	0.6
119.03412	7.9
121.01788	0.5
121.02844	0.9
125.02356	1.5
131.03456	0.7
137.02412	0.5
143.03392	1.3
159.02962	1.2
161.04553	3.2
165.01886	0.6
179.05553	2.3
243.12599	0.6
267.19754	0.6
297.24414	1.0
321.24551	1.6
357.26602	5.0
459.16898	0.8
501.30853	1.8
519.31842	14.5
520.32190	2.4
562.03668	0.6
681.37189	100.0
682.25494	1.1
682.37476	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	681.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90284	0.7
55.01772	0.9
57.06621	0.8
59.01266	11.3
61.98732	4.7
66.09036	0.7
70.28918	0.6
71.01270	16.9
71.53922	1.1
73.02834	7.3
78.95809	1.4
80.56992	0.7
83.01285	2.2
85.02838	5.0
85.99052	0.6
87.00771	1.6
88.98701	0.9
89.02330	6.2
93.03334	0.8
95.01315	1.1
96.95918	3.1
96.96844	0.8
97.02859	1.0
99.00790	1.2
100.19837	0.7
101.02354	11.9
102.02686	0.9
109.02906	1.0
111.00819	2.2
113.02356	5.8
116.92808	0.9
119.03436	1.9
119.04938	1.1
120.93296	0.8
124.01578	0.9
124.68250	0.7
125.02374	2.5
130.00418	0.8
135.04420	0.9
139.11220	0.8
145.02859	1.2
146.02446	1.2
159.03032	0.9
161.04533	4.0
163.03944	1.0
167.03470	1.0
179.05586	2.7
185.11771	2.1
191.03629	0.8
209.08229	0.8
221.06685	1.1
261.87027	0.8
297.24387	2.0
309.24512	1.3
311.26065	2.3
313.27490	1.7
325.23758	1.0
327.25394	9.1
328.25790	1.2
339.25522	3.0
355.25043	1.0
357.26556	100.0
358.26862	9.7
397.12973	0.8
475.32678	1.3
501.30746	1.2
510.73059	1.0
519.32153	2.9
654.63446	0.9
681.37231	47.2
682.37769	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	680.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94390	0.1
54.88567	0.2
61.98719	100.0
62.98438	0.2
69.94876	0.6
69.95290	0.3
78.95792	1.0
80.96410	0.2
87.82592	0.1
96.96858	0.3
121.40418	0.1
185.11833	0.2
191.37547	0.2
205.59634	0.2
209.11954	0.2
243.71626	0.1
277.21851	0.3
291.19888	0.2
307.19122	0.5
309.20755	2.1
310.21118	0.3
325.20319	0.4
340.42340	0.2
343.00775	0.2
445.23828	0.2
451.13010	0.2
581.39215	0.2
583.29089	0.2
599.39838	0.2
617.40619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90284	0.7
55.01772	0.9
57.06621	0.8
59.01266	11.3
61.98732	4.7
66.09036	0.7
70.28918	0.6
71.01270	16.9
71.53922	1.1
73.02834	7.3
78.95809	1.4
80.56992	0.7
83.01285	2.2
85.02838	5.0
85.99052	0.6
87.00771	1.6
88.98701	0.9
89.02330	6.2
93.03334	0.8
95.01315	1.1
96.95918	3.1
96.96844	0.8
97.02859	1.0
99.00790	1.2
100.19837	0.7
101.02354	11.9
102.02686	0.9
109.02906	1.0
111.00819	2.2
113.02356	5.8
116.92808	0.9
119.03436	1.9
119.04938	1.1
120.93296	0.8
124.01578	0.9
124.68250	0.7
125.02374	2.5
130.00418	0.8
135.04420	0.9
139.11220	0.8
145.02859	1.2
146.02446	1.2
159.03032	0.9
161.04533	4.0
163.03944	1.0
167.03470	1.0
179.05586	2.7
185.11771	2.1
191.03629	0.8
209.08229	0.8
221.06685	1.1
261.87027	0.8
297.24387	2.0
309.24512	1.3
311.26065	2.3
313.27490	1.7
325.23758	1.0
327.25394	9.1
328.25790	1.2
339.25522	3.0
355.25043	1.0
357.26556	100.0
358.26862	9.7
397.12973	0.8
475.32678	1.3
501.30746	1.2
510.73059	1.0
519.32153	2.9
654.63446	0.9
681.37231	47.2
682.37769	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	681.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.4
57.03330	1.7
58.00475	1.8
59.01267	30.4
61.98703	0.7
66.38934	0.4
67.01743	0.4
67.34832	0.4
68.99691	0.6
69.03356	0.7
70.43700	1.4
71.01273	34.0
71.04897	0.6
72.71816	0.4
72.99187	2.2
73.02841	9.0
75.00791	0.6
83.01278	4.7
85.02845	13.5
87.00773	2.0
89.02343	15.4
94.24670	0.3
95.01289	2.7
96.85820	0.4
96.95903	0.9
97.02830	0.6
97.06478	0.9
99.00782	3.4
101.02353	21.6
111.00779	0.7
113.02361	11.7
114.02684	0.5
119.03432	5.6
121.02863	1.0
125.02369	1.1
129.01852	0.5
131.03403	0.6
137.02362	0.8
143.03432	0.9
146.02380	0.5
148.03993	0.5
149.04510	0.4
149.85342	0.4
159.02933	1.0
161.04497	1.8
177.01926	0.5
179.05565	1.6
181.05025	1.0
214.72273	0.4
255.06664	0.5
263.20264	0.5
267.19659	0.8
297.24268	1.3
309.24384	1.4
321.24411	2.4
327.25378	0.6
339.25400	0.9
357.26572	9.4
358.26901	1.0
501.11996	1.2
501.30466	1.8
519.31866	19.5
520.32263	2.6
532.22205	0.5
681.37195	100.0
682.37494	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	680.403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	100.0
71.58718	0.3
78.95805	0.9
78.99385	0.2
87.77545	0.2
92.12033	0.2
108.72910	0.2
136.07762	0.2
136.20021	0.2
163.11394	0.2
173.97952	0.2
201.11366	0.5
209.11830	0.6
255.23343	0.6
289.18268	0.9
291.19803	0.4
307.19235	1.9
309.20798	1.1
325.20523	0.5
360.32523	0.2
443.19513	0.2
680.42114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04618	0.2
61.98720	100.0
69.75428	1.6
78.95795	2.1
78.96156	0.2
80.96416	0.4
96.96859	0.4
98.19823	0.5
103.97658	0.2
117.73694	0.2
128.21828	0.2
185.11853	0.5
200.32716	0.2
201.77789	0.2
252.74156	0.2
277.21890	0.5
289.18222	0.6
307.19159	1.4
309.20737	1.5
325.20108	0.5
332.92340	0.3
582.30511	0.4
657.34174	0.3
681.38080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24751	0.4
57.03333	0.5
59.01270	7.2
61.98719	2.8
70.32400	1.8
71.01277	7.1
72.99210	0.7
73.02842	1.3
83.04918	1.1
85.02855	1.1
87.00774	0.7
89.02345	5.7
96.95912	1.5
101.02345	5.8
113.02354	3.1
119.03440	2.1
125.02373	1.3
131.03429	0.4
137.02440	0.5
139.03917	0.6
139.11151	0.6
141.12782	0.6
143.03423	0.8
153.12752	0.7
161.04517	1.3
171.10118	0.6
177.01857	1.9
179.05623	5.1
185.11807	3.1
195.58949	0.4
209.11783	0.5
211.79066	0.4
221.06587	1.2
236.58229	0.4
244.03847	0.4
275.23969	0.7
293.24945	11.5
294.25162	1.5
295.26434	0.5
299.05164	0.5
301.09589	0.4
309.21317	0.6
309.24625	3.1
311.26007	76.3
312.26389	7.0
319.22815	0.9
325.27728	0.6
337.23975	6.0
338.24301	0.6
355.24988	100.0
356.25354	9.4
358.26569	0.5
373.09494	0.6
379.24921	0.5
397.26038	2.8
517.29547	0.6
619.33887	0.6
679.35754	14.4
680.36206	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	679.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83352	0.2
55.01765	1.0
57.03338	1.1
58.00483	1.7
59.01266	33.3
59.48095	0.3
60.01607	0.3
61.98722	0.3
68.99702	0.4
69.03339	2.0
69.30043	0.9
69.30465	1.5
71.01270	33.8
72.01601	0.7
72.37017	0.2
72.99198	3.2
73.02835	5.1
75.00759	0.8
80.96391	0.3
81.03351	1.6
82.63982	0.2
82.93400	0.2
83.01278	3.3
83.04937	0.3
85.02846	7.3
86.00005	0.5
87.00773	8.1
87.04411	0.4
89.02338	26.4
90.02687	0.4
91.03922	0.8
95.01280	2.0
97.02851	5.8
98.03229	0.3
99.00756	1.5
99.04411	0.6
101.02350	26.7
102.02691	0.6
103.00258	0.3
109.02888	0.6
111.00814	0.3
111.04420	1.4
112.55216	0.2
113.02364	12.1
114.02696	0.4
114.07397	0.2
115.03933	0.6
118.71715	0.2
119.03420	8.2
119.04244	0.5
121.02888	1.1
123.00832	0.3
125.02370	11.8
126.02713	0.5
127.03934	0.7
131.03424	1.6
133.04980	0.8
139.03949	0.9
141.01816	0.4
143.03436	5.7
149.02370	0.3
149.04485	0.8
161.04497	5.8
162.04781	0.3
167.03497	0.6
169.05080	0.5
169.63237	0.3
171.02957	0.3
179.03342	0.3
179.03986	0.4
179.05579	5.1
185.04541	0.6
199.06102	0.4
203.05656	0.4
217.07068	0.7
219.05141	0.4
221.06647	2.0
235.08241	13.3
236.08636	0.6
245.06699	0.6
253.09358	2.7
263.07730	1.5
277.09326	0.7
281.24918	100.0
282.25269	10.4
287.07825	3.3
289.07263	0.2
295.26486	0.4
305.08905	3.7
323.09903	1.9
361.11765	0.5
379.12540	0.8
397.13589	84.4
398.13919	7.2
402.41211	0.3
415.14664	32.3
416.15103	3.1
534.70758	0.2
598.83728	0.3
679.39020	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	677.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02869	0.3
59.01259	0.2
65.03843	0.1
71.01265	0.2
71.48484	0.1
80.04951	0.3
81.03352	7.4
82.03687	0.1
83.04917	20.3
84.05247	0.4
96.95952	0.1
100.07588	0.4
103.88260	0.1
107.06028	0.4
108.04467	0.7
109.02877	0.1
121.02898	0.1
123.00801	0.3
124.01597	0.2
125.07125	1.2
126.05534	0.5
137.02408	0.1
138.03143	0.1
139.03935	0.1
143.08186	0.7
149.02393	0.1
150.03136	0.4
157.13449	0.2
165.05527	0.3
171.15123	0.1
183.03041	0.1
183.15019	0.1
195.06613	0.2
197.04562	0.1
199.18187	0.2
207.15022	1.7
208.13434	0.1
222.16095	0.2
224.17706	2.9
225.16100	13.5
226.16469	0.8
231.27927	0.1
242.18803	0.9
250.15662	0.1
251.14076	0.1
266.18982	0.1
268.16721	0.2
290.22443	0.2
291.20807	0.2
308.23428	0.1
309.21967	0.8
310.22321	0.1
324.26700	0.7
333.23050	0.7
339.27722	0.2
341.08813	0.2
341.29291	0.8
351.24133	0.3
367.27173	1.1
385.28268	0.3
407.33951	0.2
433.31876	1.4
434.32123	0.2
450.34592	1.6
451.33020	6.4
452.33234	0.8
468.35583	0.1
476.33078	0.1
481.13733	0.7
482.13962	0.2
516.39984	0.1
550.43597	0.9
551.43768	0.1
559.39709	0.5
560.39624	0.1
565.44678	0.4
567.46094	0.1
593.43878	0.6
594.44293	0.1
659.48743	1.3
660.49304	0.3
677.49835	100.0
678.50140	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	677.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20995	0.1
58.02868	0.2
59.01272	0.2
63.78281	0.1
71.01266	0.1
71.52294	0.1
71.52674	0.1
72.04448	0.1
80.04961	0.2
81.03349	6.6
82.03685	0.2
83.04918	17.6
84.05242	0.4
84.22463	0.1
95.01300	0.1
98.06041	0.1
100.07603	0.3
101.02354	0.1
107.06047	0.4
108.04460	0.5
123.00816	0.5
124.01543	0.2
125.07140	1.1
126.05521	0.4
128.06999	0.1
137.02361	0.1
138.03157	0.2
139.03960	0.1
141.21259	0.1
143.08203	0.6
149.02382	0.1
150.03180	0.3
157.13408	0.2
165.05522	0.3
168.00647	0.1
177.01944	0.1
183.02983	0.1
195.06552	0.2
197.04457	0.1
199.18213	0.1
207.15056	1.6
208.13495	0.2
208.15239	0.1
222.16158	0.1
222.37903	0.1
224.17700	2.9
225.07668	0.2
225.16095	14.1
226.16428	0.9
242.18767	0.9
250.15649	0.3
268.16669	0.2
290.22495	0.3
291.20770	0.1
308.23483	0.1
309.21838	0.9
310.22116	0.1
324.26569	0.6
333.22958	0.9
334.21344	0.1
339.27658	0.2
341.08630	0.1
341.29297	1.2
350.24707	0.1
351.24207	0.2
352.22266	0.1
367.27185	1.3
368.27271	0.1
385.28271	0.3
407.33994	0.2
433.31882	1.5
434.32327	0.2
450.34619	1.5
451.33026	6.6
452.33304	0.9
462.22995	0.1
468.35602	0.1
476.32816	0.1
481.13663	0.9
482.13876	0.2
533.40778	0.1
535.39032	0.1
550.43652	1.1
551.43866	0.2
559.39862	0.4
565.44904	0.4
577.41376	0.2
593.43982	0.7
659.48792	1.6
660.49280	0.4
677.49847	100.0
678.50159	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03333	1.0
58.00482	1.6
59.01268	34.0
60.01587	0.4
61.29909	0.4
61.98700	0.3
62.34776	0.3
65.12228	0.3
65.33687	0.4
67.01787	0.4
69.03341	2.0
71.01273	34.1
71.53162	0.6
72.01610	0.6
72.99201	2.9
73.02836	5.3
75.00760	0.5
78.95798	2.3
81.03340	1.5
83.01287	4.0
85.02848	6.6
87.00782	7.7
89.02344	25.9
91.03885	0.6
93.03354	0.5
95.01299	2.7
96.95941	0.4
97.02858	5.9
99.00768	2.4
99.04385	0.4
101.02354	26.2
102.02667	0.7
109.02892	0.4
111.00808	0.6
111.04411	0.8
113.02364	12.8
115.03892	0.6
119.02579	0.5
119.03421	8.9
121.02860	0.7
123.07124	0.3
125.02374	12.2
127.03981	0.5
131.03459	1.7
133.04980	1.0
139.03902	0.7
141.01884	0.3
143.03430	4.8
149.04445	0.9
152.99525	1.7
155.56046	0.4
161.04520	5.7
167.03432	0.7
169.05029	0.4
179.05574	5.6
179.52603	0.4
180.05930	0.5
181.05159	0.4
185.04532	0.5
189.54781	0.3
199.06113	0.7
203.05597	0.4
217.07155	0.9
221.06644	2.1
235.08260	12.9
236.08690	0.7
243.99944	0.4
245.06664	1.3
253.09354	2.7
261.22397	0.7
263.07846	1.5
277.09485	0.8
279.23367	100.0
280.23721	9.1
287.07791	4.0
305.08893	4.3
323.09949	1.3
361.11362	0.4
379.12402	1.4
397.13617	91.4
398.13943	8.0
415.14691	35.7
416.15015	2.0
580.32678	0.4
595.28900	2.3
677.37897	0.6
703.80792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76563	0.6
57.03334	2.2
59.01268	1.3
60.68689	0.5
61.98726	2.9
69.03340	0.8
71.01259	1.5
71.04913	1.3
71.39458	0.5
71.59267	0.7
73.02831	2.7
95.04947	0.8
96.95938	1.4
97.06539	0.9
98.03651	0.9
99.08061	1.7
111.08018	0.8
112.05260	0.6
113.09640	1.3
115.07550	1.8
123.04428	1.0
125.09609	1.0
127.07588	3.4
127.11247	1.1
129.09137	16.4
139.11234	2.7
141.09158	7.5
151.11256	1.3
153.12769	1.0
155.10721	11.0
163.11172	0.7
165.12811	1.3
171.10216	9.6
179.10507	2.2
181.12251	1.1
185.11804	19.0
185.13440	1.1
186.12163	0.9
193.08414	3.0
193.12132	1.1
197.11818	20.5
207.10016	41.8
208.10373	1.9
209.11852	3.1
219.10031	21.0
220.10382	1.9
221.11578	3.3
223.09534	1.1
223.13341	0.9
231.10081	2.3
233.11702	1.1
235.20799	0.7
247.20700	1.0
249.11072	1.4
260.10318	5.8
263.20218	0.7
273.18787	0.7
278.10562	0.8
288.13538	0.8
291.19702	8.6
292.20139	0.6
303.19507	2.5
309.20782	19.1
310.21173	1.3
313.18130	1.4
319.18890	1.0
321.20541	1.2
327.17804	1.6
327.21841	62.9
328.22253	6.8
331.18982	100.0
332.19351	9.3
349.19937	25.5
350.19980	2.0
677.42505	5.8
678.43866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.2
57.03332	0.9
58.00490	1.9
59.01268	35.2
60.01598	0.4
68.99723	0.3
69.03345	2.2
69.22005	2.4
71.01272	33.7
72.01606	0.4
72.99199	2.9
73.02837	5.2
75.00761	0.8
78.95811	0.4
80.96418	0.9
81.03362	1.4
83.01276	3.2
83.04928	0.4
85.02847	7.1
85.99986	0.2
87.00230	0.4
87.00774	8.2
89.02340	25.8
90.02679	0.4
91.03917	0.8
93.03394	0.4
95.01291	1.9
95.04896	0.2
97.02859	5.7
99.00785	1.9
99.04451	0.5
99.92487	0.3
101.02352	27.8
102.02702	0.4
103.03893	0.3
109.02892	0.5
111.00809	0.6
111.04420	1.0
112.01524	0.2
113.02364	12.6
114.02717	0.4
115.03901	0.5
115.91948	0.6
116.92735	0.4
119.03420	9.0
120.03838	0.2
121.02865	0.5
123.00809	0.5
123.04435	0.2
124.01596	0.5
125.02375	12.1
127.03950	0.6
129.01837	0.3
131.03430	1.0
133.05037	1.0
135.04451	0.2
137.02451	0.2
139.03955	0.9
140.21156	0.2
141.01869	0.8
143.03444	5.3
149.04520	1.1
152.99608	0.4
157.05058	0.2
161.04512	5.6
164.87590	0.2
167.03473	0.8
169.04948	0.4
171.02966	0.5
179.05580	5.9
181.05035	0.3
185.04579	1.0
199.06058	0.5
203.05693	0.3
217.07120	1.1
219.05249	0.3
221.06647	2.0
235.08258	12.4
236.08694	0.7
245.06711	0.5
253.09354	3.0
259.08090	0.2
263.07794	1.1
277.09314	0.9
279.23358	100.0
280.23688	7.3
287.07791	3.2
293.25018	0.3
305.08868	4.0
306.09375	0.2
323.09790	1.4
361.11459	0.7
379.12463	0.9
397.13605	83.0
398.13943	6.0
415.14682	33.1
416.15002	2.1
577.26727	0.6
579.26917	0.5
582.45270	0.2
595.29028	0.3
677.37872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29892	1.2
59.01266	10.9
61.98720	16.6
65.68295	1.2
71.01270	13.4
71.04906	2.8
71.11625	1.4
71.62596	1.6
73.02829	1.9
78.95764	1.5
83.04911	2.0
85.02836	4.0
89.02343	6.7
96.95918	2.9
101.02353	8.6
109.06499	3.0
109.47388	1.3
113.02361	4.9
119.03409	2.1
123.00865	2.0
124.01580	3.1
125.02241	1.6
137.09642	1.5
138.03169	2.4
139.03938	3.2
139.11244	8.0
140.29863	1.3
143.68381	1.3
145.99510	1.4
149.24036	1.5
151.11226	1.3
153.12834	1.6
161.04611	7.8
169.12331	1.7
171.10228	29.8
172.10622	1.8
177.01840	1.7
179.05521	5.5
184.05267	1.9
197.11752	2.7
199.07648	1.8
199.13358	1.9
209.11848	23.7
210.12135	1.7
211.13249	2.3
227.12935	2.8
235.08185	2.1
249.11226	2.6
253.09258	3.3
291.23257	5.3
292.23608	2.2
301.09360	7.0
309.24432	67.0
310.24756	9.2
335.22250	4.2
339.25568	1.8
342.55154	1.5
353.23438	100.0
354.23669	10.5
357.26645	10.7
395.24387	3.1
610.90393	1.4
641.35669	9.6
642.35156	1.9
677.33875	11.3
678.34735	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	677.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03336	1.5
57.37259	0.7
58.00473	1.2
59.01271	22.9
61.98715	3.1
69.03323	1.4
69.17448	0.7
69.92204	3.1
71.01274	56.6
71.04914	17.2
72.99186	2.3
73.02837	9.1
81.03344	0.9
83.01299	3.6
85.02848	11.3
87.00778	3.8
87.04418	0.9
88.98741	1.0
89.02338	9.7
89.05990	2.2
93.03358	1.1
95.01293	2.8
95.92525	0.7
96.95910	3.7
97.02856	3.4
99.00789	3.2
101.02351	19.4
103.09890	0.8
107.04937	1.3
108.44467	0.8
111.00813	1.0
111.04367	0.8
113.02371	13.6
116.92786	0.9
119.03475	4.3
121.02059	1.4
121.02870	16.4
123.00795	0.8
123.04446	0.8
125.02405	5.7
129.01918	0.7
131.03445	0.9
132.19609	0.7
133.95261	0.8
134.03674	22.4
135.04445	1.8
137.02438	0.8
143.03452	3.4
147.00870	2.2
149.09657	3.4
153.01901	0.9
153.05533	1.7
159.02963	1.5
161.02394	0.8
161.04521	10.7
163.03976	1.0
165.01897	2.1
167.03473	0.9
171.10240	1.9
175.07657	0.8
177.09181	5.9
179.05582	3.3
190.99847	0.9
193.08574	1.0
194.83107	0.8
203.05557	1.3
209.11768	1.6
221.08211	100.0
222.08536	6.7
233.10318	2.3
235.08160	1.3
237.07648	2.9
245.06667	1.1
251.11411	12.6
270.62766	0.9
291.08859	7.1
305.08786	0.8
338.46274	0.8
381.11957	5.2
395.15668	42.1
396.15915	4.3
513.17908	1.1
543.17358	55.5
544.17548	9.2
613.08691	0.8
617.23566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45866	0.5
55.01787	0.6
59.01264	8.0
61.98711	5.4
69.03339	13.6
71.01270	13.1
71.04906	28.1
71.59710	0.7
73.02816	1.8
75.00783	0.7
77.03893	0.9
78.95791	1.0
83.01284	1.6
85.02837	3.0
87.00762	1.3
88.98687	0.7
89.02343	4.0
93.03354	1.4
96.95914	2.7
97.02847	0.8
99.00796	1.1
101.02383	4.5
107.04931	1.2
108.02105	0.9
113.02361	4.7
115.07563	2.6
119.03426	0.8
121.02872	16.3
125.02350	2.9
134.03682	6.5
137.02388	0.7
139.03900	0.9
143.03413	1.0
147.00806	2.0
147.08063	1.6
149.09644	4.0
151.03922	1.3
153.05487	0.9
161.04553	3.2
165.01895	1.0
169.12241	0.8
171.10231	1.7
177.09145	7.8
181.05154	0.7
183.21294	0.6
190.99812	1.1
193.08629	1.3
209.11855	1.8
213.11276	0.8
221.08199	100.0
222.08595	6.9
237.07790	0.8
251.11319	5.3
291.08801	3.0
329.06628	1.1
353.23340	1.6
395.10965	1.3
395.15674	14.1
396.16202	1.1
543.17340	27.6
544.17462	4.3
677.22778	0.9
677.34766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.4
57.03342	1.5
58.00485	2.3
59.01269	46.5
60.01602	0.4
61.98722	0.3
63.74165	0.2
67.01762	0.3
68.99712	0.5
69.03347	2.5
69.98283	0.9
71.01276	42.1
72.01605	0.5
72.99202	3.5
73.02841	7.3
75.00786	1.0
78.95798	1.0
81.03363	1.9
83.01279	4.5
83.04931	0.7
85.02850	9.4
85.99993	0.4
87.00777	10.2
87.04401	0.5
89.02343	34.6
90.02676	0.6
91.03917	0.7
93.03368	0.4
95.01294	2.9
97.02856	7.8
98.19798	0.2
99.00781	2.7
99.04422	0.5
101.02354	34.8
102.02689	0.4
103.00285	0.5
103.03931	0.4
107.03439	0.2
107.04958	0.2
109.02882	0.8
111.00798	0.8
111.04432	1.5
112.01627	0.2
113.02364	16.0
114.02701	0.4
115.03921	0.7
116.09571	0.2
119.03426	10.3
120.03768	0.3
121.02885	0.8
123.00828	0.3
123.04435	0.6
124.01601	0.6
125.02379	14.1
126.02658	0.4
127.03921	0.6
127.07597	0.4
129.01877	0.2
131.03447	1.7
133.04996	1.1
135.04434	0.2
137.02379	0.4
139.03952	1.2
141.01846	0.8
142.02451	0.2
143.03445	6.5
149.04510	1.3
151.03981	0.4
152.99550	1.0
153.01891	0.2
155.03419	0.2
157.05084	0.2
159.02982	0.2
161.04514	7.7
162.04858	0.2
167.03506	0.9
169.04985	0.4
171.02962	0.4
179.05589	7.5
181.04984	0.2
185.04547	0.8
199.06122	0.9
203.05618	0.6
217.07234	1.2
219.05074	0.5
221.06686	2.8
227.05614	0.2
233.22801	0.4
235.08261	15.2
236.08597	0.7
245.06639	1.0
253.09331	3.9
254.09740	0.3
259.08307	0.3
259.20685	0.4
263.07751	1.7
275.20255	0.7
277.09802	1.0
277.21793	100.0
278.22144	9.6
287.07822	3.2
288.08270	0.2
291.23428	0.2
305.08875	4.6
306.09192	0.4
323.09906	2.0
338.59009	0.2
361.11563	0.7
379.12561	1.3
397.13611	91.6
398.13931	7.9
408.41000	0.2
415.14685	37.4
416.15039	2.9
554.13678	0.2
567.48535	0.2
593.27368	0.8
604.84967	0.2
675.35724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53013	0.2
55.01773	1.5
57.03340	1.3
58.00483	2.1
59.01268	47.6
60.01608	0.4
60.99182	0.2
65.87105	0.2
68.99711	0.5
69.03346	2.3
70.13690	0.9
71.01274	40.9
72.01615	0.5
72.99200	3.0
73.02840	7.0
73.19750	0.2
75.00758	0.9
78.95795	0.6
81.03349	1.9
83.01279	4.9
83.04910	0.4
85.02847	8.3
85.99986	0.4
86.03190	0.3
87.00779	9.7
87.04435	0.6
89.02341	35.8
90.02678	0.5
91.03912	0.8
93.03378	0.4
94.17731	0.2
95.01298	3.3
95.04949	0.4
96.89825	0.2
97.02858	7.0
98.03191	0.3
98.20405	0.3
99.00786	2.6
99.04420	0.8
101.02351	32.5
102.02692	0.5
103.00280	0.3
103.03884	0.4
103.58603	0.2
105.57531	0.2
109.02879	0.6
111.00788	0.6
111.04445	1.3
112.01607	0.3
113.02361	16.3
114.02708	0.4
115.03922	0.7
119.03425	10.3
120.03779	0.3
121.02878	0.7
123.00780	0.5
123.04419	0.4
124.01588	0.6
124.58974	0.2
125.02374	13.4
126.02680	0.2
127.03931	0.5
127.07600	0.3
129.01837	0.4
131.03432	2.2
133.04988	1.1
135.04463	0.2
137.02356	0.3
139.03967	1.2
141.01872	0.6
143.03445	7.4
144.03769	0.2
149.02423	0.2
149.04501	1.1
151.03966	0.4
152.99516	0.3
153.05562	0.2
157.04999	0.3
159.02910	0.2
161.04504	7.9
162.04863	0.3
163.03886	0.3
167.03456	0.8
169.05046	0.5
171.03058	0.3
179.05583	7.8
181.05020	0.2
185.04483	1.0
199.06102	0.6
203.05591	0.6
208.80231	0.2
209.11859	0.3
217.07149	1.3
219.04907	0.4
221.06671	3.3
227.05630	0.2
233.22829	0.6
235.08243	14.9
236.08588	0.7
245.06696	1.0
253.09341	3.6
254.09653	0.2
259.08249	0.2
259.20822	0.3
263.07764	2.0
275.20190	0.4
277.09729	1.1
277.21786	100.0
278.22128	9.9
287.07785	3.7
288.08270	0.4
291.23428	0.4
298.92184	0.2
305.08838	4.8
323.09933	1.8
323.27200	0.2
361.11398	0.6
362.88300	0.2
379.12500	1.5
397.13599	95.5
398.13916	8.4
409.23230	0.2
415.14679	38.2
416.15027	2.9
488.10269	0.2
669.55585	0.2
675.35638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18267	0.5
57.03320	1.0
58.00453	0.5
59.01247	2.2
61.98702	1.4
62.73086	0.5
69.03326	0.6
71.01272	26.7
71.04903	0.8
71.52426	1.1
72.02044	0.7
73.02842	0.5
81.03338	0.7
83.04919	2.8
84.02038	2.4
85.02834	1.4
93.03359	1.1
95.01295	2.7
95.04928	6.5
96.95914	0.6
97.02799	0.6
97.06475	1.9
99.04433	1.0
99.08031	1.6
99.97666	0.6
101.02365	1.0
107.20256	0.5
108.44798	0.5
109.02846	1.5
109.06495	1.2
110.03606	1.0
111.08013	0.9
111.12799	0.5
112.01540	0.6
112.05209	0.9
113.02359	1.0
113.06012	1.1
113.09600	0.8
115.07576	0.7
119.04898	0.7
121.02866	1.0
123.04451	11.8
125.09593	2.8
125.99240	1.2
127.07581	11.0
135.08066	2.0
137.09613	1.5
139.00119	0.6
139.07603	4.0
141.09264	2.6
141.10104	0.6
151.11205	1.5
153.09154	6.9
153.12753	0.7
155.10663	1.4
155.74310	0.6
163.11234	3.0
165.01616	1.5
165.12770	1.5
169.12283	2.2
171.10239	8.9
178.10001	1.3
179.10527	0.9
181.12273	1.2
183.10234	0.9
185.11800	7.1
191.10628	0.7
191.14398	1.0
193.04822	0.5
193.08386	1.2
193.12210	0.6
197.11827	9.7
199.13361	1.6
207.06390	1.2
207.10049	19.8
208.10440	1.0
209.11829	39.6
210.12181	2.3
211.13414	1.2
217.04805	1.5
219.10072	6.5
221.07970	9.2
221.11578	0.9
223.09470	0.6
225.11249	1.1
227.12865	4.0
231.10033	3.2
232.10898	0.6
233.11557	1.5
235.09506	2.4
238.12119	2.0
245.19170	1.8
247.09454	0.7
249.11105	1.1
251.11507	0.8
253.09181	0.8
256.13214	1.3
259.09509	1.3
260.10367	39.7
261.10626	2.7
264.09988	2.6
265.17905	0.6
271.17194	0.7
277.10739	6.5
278.11441	100.0
279.11777	6.8
279.19662	0.9
281.21066	0.6
289.18182	4.6
290.18777	0.6
297.20752	0.7
301.17786	1.2
307.19250	46.2
308.19415	3.9
311.16483	0.9
319.19061	0.8
325.20291	56.0
326.20706	5.4
329.17447	91.0
330.17871	7.6
347.18475	57.3
348.18835	5.5
380.84186	0.7
381.62146	0.6
451.34473	1.6
463.21887	1.0
525.81458	0.6
539.27625	0.6
581.25470	0.6
604.31714	1.1
637.33435	0.6
673.31348	2.7
673.41528	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	673.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.2
57.03341	0.3
59.00988	0.2
59.01266	2.3
61.98729	0.7
69.03356	0.2
69.70004	0.1
69.90234	0.2
69.90649	0.5
71.01275	2.2
71.04910	0.1
73.02843	0.4
80.02570	1.0
81.03346	1.1
83.01278	0.4
83.04921	4.8
84.02058	0.9
85.02842	0.4
85.48692	0.1
87.00770	0.4
89.02344	1.5
93.03359	0.1
95.01299	0.2
95.04932	0.5
96.95900	0.3
97.02869	0.3
97.06506	0.2
99.00787	0.3
101.02347	1.9
109.06510	0.3
112.53090	0.1
113.02375	1.2
119.03429	0.4
125.02371	0.3
125.06019	0.5
125.09639	0.3
131.26080	0.1
135.08159	0.6
137.02357	0.1
143.03494	0.2
145.04988	0.2
147.11790	0.2
149.09660	0.2
161.04495	0.8
163.11238	3.3
164.11543	0.3
165.12813	2.3
171.10246	1.9
179.05656	0.2
181.12381	0.6
183.13931	0.1
185.11803	0.3
191.10794	0.7
192.04184	0.1
197.11902	0.1
199.13406	0.6
200.13721	0.1
207.10226	0.3
209.11830	100.0
210.12166	7.0
211.13416	0.6
220.85661	0.1
221.11858	0.3
225.11247	0.4
227.12898	14.5
228.13213	1.1
229.14609	0.2
235.08270	1.7
247.13428	0.8
253.09332	5.6
254.09720	0.3
265.14539	0.5
293.08853	1.0
305.21378	0.1
319.22870	1.3
320.23251	0.2
349.20361	0.2
359.27930	0.3
401.23239	0.3
419.24487	0.4
445.20999	1.0
446.21191	0.2
463.21640	0.1
496.30594	0.6
511.32822	0.6
592.43024	0.1
611.30621	0.2
613.32550	0.2
623.69788	0.1
637.31921	0.7
655.33478	0.4
673.33124	0.4
686.71942	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77341	1.3
59.01266	10.7
61.98719	10.6
63.94927	1.2
69.03320	1.5
71.01273	60.4
71.55340	1.6
71.55723	2.3
73.02850	2.4
78.95799	20.0
80.02576	1.5
81.03357	1.8
83.01291	1.6
83.04920	5.5
84.02055	2.0
85.02835	2.9
87.00778	2.4
89.02351	4.7
95.94297	1.2
96.95916	1.5
96.96912	1.6
97.02843	3.7
99.00790	2.7
101.02352	7.2
109.06502	8.6
113.02360	4.8
119.03425	1.6
125.09647	2.2
135.08075	1.7
138.23698	1.2
145.05014	2.0
146.80673	1.3
151.06325	1.2
152.99582	7.2
154.51009	1.3
155.10826	1.5
161.04514	3.0
163.11281	7.4
165.12811	3.7
171.10240	8.9
178.59554	1.5
179.05612	1.3
179.10783	1.6
181.12331	5.4
181.59836	1.2
183.13890	13.5
185.11823	3.9
193.12331	2.3
199.09792	1.6
199.13388	24.6
201.11377	7.7
207.10255	28.5
208.10597	2.3
209.11821	56.2
210.12206	4.2
211.13396	100.0
212.13742	8.2
225.11334	22.8
226.11774	1.9
227.12900	58.3
228.13231	4.3
235.08286	5.5
235.13483	1.5
247.13329	2.5
253.09314	14.2
253.14406	1.5
293.21332	2.7
295.22885	1.8
302.78137	1.2
311.22284	1.4
357.24734	1.6
373.24011	1.3
375.25519	2.4
383.22357	3.5
391.24820	1.4
401.23322	7.7
419.24496	5.3
443.19144	1.5
447.22009	2.3
461.20486	4.6
463.22046	9.7
637.32568	5.7
655.33563	9.9
656.33905	3.8
673.34113	19.9
674.34802	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	667.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
57.03350	1.9
57.87687	0.3
58.00457	1.4
59.01267	29.0
59.29840	0.3
60.01601	0.5
61.98718	3.1
65.62701	0.4
71.01271	30.1
71.53989	0.5
72.01584	0.5
72.99208	2.9
73.02837	6.0
78.95801	1.1
83.01264	3.4
83.74382	0.4
85.02840	10.2
87.00780	2.3
89.02339	16.5
94.48476	0.4
95.01296	2.8
96.95924	0.7
97.02837	0.7
99.00772	2.1
101.02347	20.2
102.02672	0.5
108.02083	0.4
111.00780	0.7
113.02361	10.2
114.02723	0.4
119.03429	7.3
125.02348	1.4
129.01906	0.5
131.03438	0.8
134.03629	2.1
135.54462	0.4
137.02443	0.5
139.00343	0.5
141.12747	0.6
143.03427	1.3
145.02899	0.5
152.01080	0.7
152.99490	0.9
159.02994	0.7
160.01581	0.4
161.04486	2.5
165.01956	0.4
167.03436	1.7
174.01588	0.4
175.03902	0.6
179.05553	1.8
185.15398	1.3
186.15744	0.7
193.05020	0.9
230.51398	0.4
233.12039	0.4
235.06015	0.4
271.02527	4.5
285.04025	0.7
299.02060	12.2
300.02423	1.3
313.03564	1.0
314.04404	15.7
315.04782	1.7
325.27478	1.4
329.06744	17.2
330.07050	2.0
341.27032	2.4
342.27271	3.3
343.28259	5.2
344.28836	0.7
431.22040	0.5
452.81125	0.4
487.32925	0.9
491.12009	2.4
505.26627	0.7
505.33978	10.2
505.50256	0.4
506.34171	2.1
667.16547	4.1
667.39294	100.0
668.39569	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	669.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03333	2.3
58.00477	1.1
59.01269	19.6
61.98722	4.9
66.03383	0.6
66.52087	0.7
69.88533	0.7
71.01276	28.2
71.52725	1.4
72.99189	2.0
73.02831	6.1
75.00775	1.5
78.68548	0.7
78.95816	3.1
78.96566	0.7
83.01285	3.8
85.02846	11.1
87.00784	2.7
88.98740	0.8
89.02339	8.4
93.03358	0.8
95.01295	2.7
96.95928	4.5
97.02838	1.3
99.00789	3.1
101.02357	17.3
108.02148	1.3
109.02850	2.1
111.00790	1.8
113.02366	12.4
116.92793	1.1
117.03389	11.5
117.68508	0.8
119.03432	2.5
119.04953	7.1
121.02898	3.1
122.03614	2.2
123.04401	1.2
125.02367	2.6
129.01956	1.0
129.22159	0.7
132.90070	0.8
133.02826	1.3
135.04424	1.5
137.02403	2.3
139.03952	1.0
141.01846	1.2
143.20325	0.7
145.02901	43.4
146.03279	2.9
147.02908	0.8
147.04466	1.9
149.06020	0.9
150.03067	0.9
152.01100	1.7
152.99530	2.2
153.01874	1.7
160.01595	0.9
161.02419	0.8
161.04478	2.2
161.05945	1.6
163.03975	7.0
164.04402	0.7
165.05540	6.3
167.03526	1.6
179.03543	0.8
179.07108	2.0
183.13724	1.0
195.06636	1.0
207.06612	0.7
209.11884	4.7
211.13432	5.4
220.07655	4.2
227.12885	2.5
247.08774	1.4
255.02849	0.8
255.23431	1.7
287.02023	0.9
300.05731	0.9
307.08313	26.1
308.08649	2.3
315.12466	1.3
345.30313	2.9
346.14261	2.8
347.15030	3.0
361.16739	10.6
397.13504	3.1
415.14368	1.9
472.43350	0.8
489.10614	1.4
507.35501	7.1
620.66803	0.8
642.26721	1.0
669.25751	17.5
669.40851	100.0
670.26270	3.5
670.41199	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	671.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27341	0.2
59.01266	6.3
61.98705	1.2
71.00920	0.7
71.01270	4.1
72.99203	0.4
73.02798	0.5
78.95794	0.6
83.01316	0.4
85.02835	0.7
87.00775	0.3
88.98694	0.6
89.02343	5.2
93.03353	1.0
94.10812	0.3
96.95908	1.0
101.02325	0.9
103.74767	0.3
108.02087	1.1
109.02856	2.3
113.02348	0.6
119.04936	0.5
121.02889	2.9
122.03645	1.3
123.00756	0.4
123.04450	0.8
124.01559	0.4
125.02391	2.4
129.03349	0.7
131.03416	1.0
133.02895	0.3
134.03651	0.6
135.02930	0.3
135.04486	1.5
137.02382	1.7
139.03957	0.3
145.02870	1.5
146.03656	1.0
147.04478	4.8
148.05217	0.4
149.04524	1.0
149.05998	0.7
150.03148	0.6
151.03975	0.4
152.01102	0.7
152.99474	0.5
153.01881	0.8
159.04503	0.7
161.02342	0.7
161.04645	0.5
161.05994	1.6
161.07225	0.3
162.03032	0.3
163.03952	0.6
164.04765	0.6
165.01978	0.4
165.05533	10.5
166.05919	0.7
167.03455	0.6
172.23453	0.2
175.04033	0.7
179.03360	0.3
179.07106	3.0
202.06357	0.3
203.23601	0.3
209.11833	0.8
217.05057	0.3
223.07738	0.3
224.04916	0.3
237.05632	0.5
238.06384	2.3
239.07137	2.4
240.08087	0.3
241.04936	0.4
250.06357	0.3
251.07257	0.3
253.05031	0.4
257.00876	0.3
265.05093	0.6
265.08707	0.4
266.05899	4.5
267.06668	4.8
268.07431	2.7
269.07828	0.4
270.05487	0.4
280.07245	0.5
281.08310	2.1
282.09036	7.3
283.09583	0.6
286.01099	0.3
293.08292	1.3
294.09033	1.1
295.09900	3.3
296.07092	0.7
296.10495	0.9
298.04868	0.7
299.05661	0.4
300.06424	0.4
306.09094	0.3
307.09622	0.9
308.10583	1.2
309.07965	0.5
309.11322	3.7
310.08731	0.5
310.11972	0.5
311.09323	0.4
314.08026	6.9
315.08374	0.6
321.11438	0.7
323.09198	0.5
323.12827	0.3
324.10022	0.8
325.10880	2.4
328.09689	0.5
329.02908	1.4
339.12411	3.5
340.12946	0.4
353.14072	0.9
355.12012	0.5
369.13486	0.7
383.15005	0.4
417.42511	0.3
430.14764	0.4
443.14847	0.4
445.16919	1.7
457.16452	0.4
458.17123	0.4
461.16061	0.6
463.17609	0.4
465.28870	0.6
473.15735	0.5
475.17911	3.8
476.14383	0.3
476.18439	0.4
491.09360	0.7
491.17172	8.1
492.17535	1.2
505.18741	0.4
506.19522	7.8
507.20062	1.7
521.21948	100.0
522.22302	17.9
555.19745	0.4
627.35211	0.3
671.16742	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.4
57.03332	1.9
58.00476	1.7
59.01268	23.1
60.01590	0.4
61.98692	0.9
69.48300	0.9
69.48727	1.1
71.01273	31.6
72.01598	0.4
72.99216	2.0
73.02842	9.1
75.00768	0.5
83.01279	4.6
84.02065	0.5
85.02847	13.4
86.03172	0.3
87.00778	2.0
89.02341	11.5
95.01286	3.0
97.02862	0.6
99.00787	2.7
101.02351	20.7
109.70309	0.3
111.00786	0.7
113.02360	10.6
113.09349	0.2
114.02724	0.4
115.14323	0.2
119.03418	4.1
119.16825	0.2
121.02871	0.3
122.97142	0.3
125.02353	0.8
129.01852	0.8
131.03400	0.5
132.31210	0.2
135.04475	0.3
141.01833	0.4
143.03409	0.8
145.02866	0.5
159.02942	1.2
161.02373	0.9
161.04488	3.7
167.03268	0.3
179.05618	1.4
189.33858	0.3
191.03520	0.3
197.56195	0.2
239.23672	0.4
267.23230	0.8
281.24817	0.4
297.24396	0.5
311.25912	0.3
313.27448	0.5
314.04269	0.3
323.07773	0.3
323.25916	0.3
325.27551	1.0
329.02951	0.3
341.26923	0.7
343.28598	6.1
344.28912	0.9
359.07758	0.4
487.32855	1.1
505.34000	16.6
506.34103	2.1
667.39294	100.0
668.39655	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	667.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55584	0.3
55.01777	2.6
57.03346	2.5
58.00489	1.7
59.01267	29.1
61.98707	0.6
69.03336	0.6
69.34895	1.4
69.35319	1.6
71.01273	39.6
71.29790	0.3
72.01613	0.6
72.99207	2.3
73.02841	8.5
75.00764	0.8
75.01183	0.3
81.03326	0.5
83.01278	4.9
84.02054	0.3
85.02846	17.6
86.00045	0.5
86.03179	0.6
87.00771	2.1
89.02343	16.1
95.01293	3.2
96.95912	0.7
97.02851	0.9
98.20570	0.6
99.00788	3.1
101.02352	24.4
102.02660	0.7
111.00808	2.1
112.49927	0.3
113.02361	13.8
119.03421	5.7
125.02354	1.1
129.01851	1.1
131.03424	0.6
137.02380	0.4
141.01874	0.4
143.03418	0.8
145.02927	1.7
149.04500	0.5
157.12352	0.5
159.02968	2.0
161.04495	3.4
171.13846	0.9
179.05571	1.3
261.91541	0.3
307.08282	0.3
313.27637	0.4
343.28635	2.0
487.32840	1.1
505.33960	16.4
506.34525	2.4
667.39288	100.0
668.39606	21.4
696.29706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82332	0.3
53.07398	0.2
55.01767	1.8
57.03337	1.7
58.00493	1.5
59.01266	28.2
61.98719	2.2
69.03348	0.6
69.34097	2.7
71.01271	31.0
72.01603	0.5
72.99197	2.2
73.02836	5.1
73.48343	0.3
73.82487	0.3
75.00788	0.4
78.95800	0.6
80.01926	0.3
81.03368	0.3
83.01281	4.0
85.02847	12.5
85.14687	0.3
87.00771	1.8
87.53713	0.3
88.98677	0.6
89.02341	16.5
93.03377	0.4
95.01305	2.6
96.95912	0.9
97.02863	0.7
99.00793	2.0
101.02353	18.6
102.02660	0.4
105.01833	1.3
111.00803	1.7
111.36192	0.3
113.02367	10.9
113.03169	0.5
117.03377	6.0
118.03712	0.4
119.03432	5.8
119.04923	3.7
121.02880	0.7
122.03643	0.5
125.02335	1.0
129.01863	0.4
131.03406	0.6
137.02362	1.0
143.03436	1.1
145.02895	23.3
146.03253	1.3
147.03215	0.4
150.03142	0.8
159.03047	0.5
159.04436	0.8
160.01601	0.4
160.05240	2.2
161.04504	3.0
161.06006	1.0
163.03946	3.7
171.13860	0.8
173.06041	0.3
175.03984	0.6
175.07576	2.0
177.05544	0.7
178.06305	0.6
179.05586	1.3
205.05150	0.3
209.11807	1.2
211.13412	0.3
227.12782	0.5
236.94402	0.3
251.13013	0.7
262.23441	0.3
307.08307	11.1
307.19211	0.4
308.08740	1.3
315.12405	1.2
329.06839	0.7
329.13837	2.9
330.14136	0.3
343.28574	0.7
345.13391	2.2
428.75308	0.3
487.33255	1.6
505.26663	0.6
505.33975	9.7
506.34436	1.4
667.24670	5.9
667.39294	100.0
668.24957	2.0
668.39648	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	667.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	4.1
61.98726	1.8
65.00231	0.5
67.53772	0.3
69.03345	0.4
69.25554	3.2
69.25979	1.3
71.01270	5.5
73.02834	1.7
75.00780	0.5
78.95792	0.6
83.01303	1.0
85.02837	3.3
88.98691	0.6
89.02364	2.0
93.03368	0.6
95.01289	0.9
96.95935	1.0
99.00780	0.7
101.02350	4.5
111.00800	0.8
113.02354	2.1
116.78103	0.4
116.92763	0.7
117.03384	0.8
119.01331	0.8
119.03433	0.9
121.02866	0.5
124.14040	0.4
125.02404	0.7
125.16095	0.4
133.02800	0.4
134.03697	0.5
135.04515	0.6
137.02350	0.6
145.02855	0.7
147.00917	0.9
149.02383	1.1
150.03134	1.3
151.00330	0.8
160.01588	1.1
161.02376	1.2
161.04538	0.7
163.03925	0.5
164.04752	1.1
165.01869	0.9
167.03529	0.4
174.98827	0.4
175.00334	6.2
175.03923	1.7
176.01111	2.5
179.03397	0.4
179.06987	0.4
182.03705	0.5
183.04515	1.6
190.02716	11.2
191.03447	3.7
191.05252	0.5
193.04985	0.5
194.02261	0.4
201.48540	0.4
205.05055	7.1
205.06885	0.3
209.04526	1.2
209.11893	0.6
211.04002	1.0
223.06133	1.0
227.03505	28.6
228.03853	1.4
234.42570	0.4
251.05675	0.5
255.03035	46.9
256.03635	6.6
269.04358	0.5
271.02560	0.9
283.02560	18.4
284.03326	49.7
285.03745	4.7
297.03970	0.4
298.04855	3.4
299.05667	100.0
300.06000	6.8
313.07251	8.9
314.04364	2.0
314.07684	0.9
323.07498	0.6
329.06772	4.1
330.07068	0.8
337.09454	1.2
353.08887	15.6
354.09329	0.9
367.10532	2.7
475.60620	0.4
477.30615	0.4
479.44467	0.4
505.33942	3.4
550.90778	0.4
562.20099	0.4
567.42072	0.4
652.14343	0.6
666.38751	0.6
667.16760	22.6
667.39337	16.7
668.17163	4.4
668.39056	0.6
670.72217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	1.1
57.03342	1.5
59.01263	16.7
60.67476	1.1
61.98711	7.1
64.90257	1.0
70.82658	2.6
71.01276	17.8
72.99216	2.2
73.02839	4.1
78.95828	0.8
81.43908	0.9
83.01282	3.4
85.02834	6.7
87.00781	3.1
89.02341	8.2
95.01318	1.8
97.02872	1.0
99.00809	2.0
100.62273	1.1
101.02353	12.6
113.02354	8.6
116.92786	1.9
119.03456	2.2
121.02876	2.9
123.04449	1.4
125.02376	2.1
131.03528	1.2
131.14751	1.0
141.12790	4.6
143.03458	1.3
151.07576	2.2
153.12842	1.0
156.17967	1.1
161.04530	3.5
171.10210	1.4
171.13847	8.3
175.02457	1.1
185.15450	1.4
221.06679	2.5
295.22903	1.3
295.26425	2.2
309.50668	1.0
323.26065	5.7
329.03055	1.0
341.27054	41.3
342.27536	3.9
467.33859	2.2
503.26456	1.4
503.32520	10.1
504.32465	2.8
629.39227	55.1
630.39612	12.0
647.36768	1.3
665.37762	100.0
666.28271	1.9
666.38092	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	667.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.9
60.99204	0.2
61.98715	2.5
69.23339	0.3
69.23660	2.8
71.01277	1.9
73.02865	0.5
75.00774	0.2
78.26581	0.2
78.95816	0.4
81.80042	0.3
85.02874	0.5
87.00807	0.3
88.98709	2.5
89.02356	1.1
96.95930	0.5
99.00805	0.3
101.02352	1.6
105.15612	0.3
107.01344	0.3
113.02401	0.7
116.92816	0.2
117.03378	9.3
119.04952	3.0
125.02409	0.3
145.02896	20.7
146.03276	0.6
151.00305	0.6
152.01112	0.3
152.99640	0.3
161.02431	1.0
161.04634	0.3
161.06070	0.8
163.03952	2.2
173.06044	0.3
177.01862	0.4
179.05566	0.4
187.04071	0.4
201.01909	0.2
202.02779	0.5
205.05122	0.4
209.11852	0.4
213.01828	0.3
214.02628	0.4
229.01434	0.7
230.02222	1.6
235.06183	0.3
241.01498	3.8
242.02232	7.7
243.02971	2.3
257.01001	2.6
257.04709	0.4
258.01761	8.1
259.02118	0.8
265.07297	0.6
268.98425	0.4
269.00894	2.0
270.01740	4.4
271.02356	1.3
272.03394	2.4
273.04129	11.2
274.01553	0.4
274.04532	0.8
285.00449	1.7
286.01270	8.8
287.02124	0.4
287.05673	2.9
288.05978	0.3
298.01410	0.6
298.04788	0.3
299.02087	0.6
300.02673	2.0
301.03610	12.2
302.03952	0.9
307.08310	8.3
308.08774	0.3
314.00931	1.5
315.01736	0.4
315.05246	2.1
316.05899	4.1
328.02161	0.6
328.97302	0.5
329.03104	23.2
330.03622	2.3
343.04684	3.9
344.05435	38.2
345.05881	4.2
359.07806	100.0
360.08182	8.4
477.30783	1.5
503.10971	0.3
505.33813	0.8
521.13147	0.4
631.40594	1.1
652.14392	1.1
666.39215	0.3
667.16766	18.3
667.38983	6.6
668.17096	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	667.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31227	0.2
58.00481	0.2
59.01268	3.2
61.98718	2.3
62.25251	0.2
63.11097	0.2
69.03332	0.3
70.00874	0.2
71.01270	3.2
71.52820	0.4
73.02858	0.6
83.01292	0.4
85.02833	0.6
87.00774	0.5
88.98717	0.8
89.02337	2.1
96.95930	0.4
97.02882	0.3
99.00791	0.2
101.01678	0.3
101.02336	1.9
105.73576	0.2
108.02082	0.4
108.60566	0.2
109.02859	0.4
113.02380	1.2
116.92780	0.6
118.28424	0.3
119.03403	0.6
119.04931	0.5
121.02880	0.5
123.00817	0.2
123.04459	0.2
125.02383	0.7
132.02103	3.8
133.02859	0.7
134.03685	2.2
135.04437	0.7
139.04005	0.2
143.03452	0.4
145.02919	0.5
147.04497	0.2
148.03943	0.3
149.02385	0.2
151.00348	0.5
160.01610	12.7
161.02412	1.6
161.04498	0.8
163.03961	0.4
175.00417	0.3
175.03961	7.0
176.04408	0.5
177.01830	0.4
179.03442	0.4
179.05630	0.4
190.02635	0.3
193.05052	1.1
199.04034	1.2
201.01981	0.5
204.44914	0.2
205.05032	0.3
205.54935	0.2
209.11818	5.4
210.12180	0.3
214.02750	0.4
215.03624	1.0
217.30302	0.2
221.06697	0.4
226.02722	0.2
227.03505	1.7
229.01170	0.2
235.06065	0.3
235.08229	0.6
241.01472	0.7
242.02229	5.7
243.03018	19.4
244.03302	1.4
245.00951	0.8
255.03015	1.1
257.04605	6.2
258.05014	0.5
270.01767	7.1
271.02533	22.4
272.02841	1.8
283.02573	0.4
284.03372	2.4
285.04117	13.8
286.04803	4.5
287.05240	0.4
287.07947	0.3
298.01257	1.2
299.02081	10.8
299.05664	1.5
300.02509	1.1
313.03619	8.6
313.07257	0.5
314.04398	44.0
315.04794	4.5
323.07709	4.0
328.06110	0.6
329.06738	100.0
330.07050	7.8
337.09332	3.5
338.09866	0.3
343.08240	2.2
353.08813	0.3
359.07547	0.3
369.64883	0.2
371.07785	0.5
395.20773	0.2
397.13620	6.4
398.13773	0.3
413.21893	0.5
415.14838	1.7
467.33832	0.4
468.34097	0.3
505.33685	0.3
607.25879	0.4
645.61816	0.3
652.14685	0.7
667.16858	12.1
667.38831	2.1
668.16962	2.4
668.25092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	1.4
59.01268	46.2
60.81207	1.3
61.98714	2.4
69.03331	1.4
71.01276	48.3
71.58595	1.8
71.58979	1.6
72.99172	2.6
73.02847	2.1
73.11855	1.3
78.95787	2.9
80.96397	1.6
83.01291	3.4
85.02840	8.2
87.00776	12.7
87.92410	1.4
89.02341	44.1
90.86632	1.3
95.01289	2.5
96.92056	1.5
99.00771	2.0
99.64462	1.3
101.02356	19.9
104.80267	1.7
113.02349	20.4
119.03418	18.7
120.64420	1.4
125.02384	1.6
131.03439	3.1
143.03439	7.9
149.04630	1.5
152.99516	1.4
161.04501	9.8
179.05588	18.7
179.07013	2.5
271.20468	1.5
279.23355	100.0
280.23724	8.8
293.25018	3.7
309.31503	1.6
321.24377	3.8
323.09906	30.8
324.10455	2.3
341.10971	58.4
342.11301	3.4
579.27814	2.2
596.13348	1.7
603.33984	19.7
604.34607	3.4
684.48425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39703	0.2
56.92356	0.2
59.01252	0.4
61.98721	100.0
71.01291	0.2
71.33057	0.3
79.19838	0.2
89.02338	0.3
91.44468	0.2
101.02336	0.2
102.94534	0.2
105.52583	0.2
114.64624	0.2
116.59336	0.2
140.72755	0.2
234.40306	0.2
275.62436	0.2
277.21786	0.3
278.22137	0.5
332.10864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	1.1
57.03342	1.5
59.01263	16.7
60.67476	1.1
61.98711	7.1
64.90257	1.0
70.82658	2.6
71.01276	17.8
72.99216	2.2
73.02839	4.1
78.95828	0.8
81.43908	0.9
83.01282	3.4
85.02834	6.7
87.00781	3.1
89.02341	8.2
95.01318	1.8
97.02872	1.0
99.00809	2.0
100.62273	1.1
101.02353	12.6
113.02354	8.6
116.92786	1.9
119.03456	2.2
121.02876	2.9
123.04449	1.4
125.02376	2.1
131.03528	1.2
131.14751	1.0
141.12790	4.6
143.03458	1.3
151.07576	2.2
153.12842	1.0
156.17967	1.1
161.04530	3.5
171.10210	1.4
171.13847	8.3
175.02457	1.1
185.15450	1.4
221.06679	2.5
295.22903	1.3
295.26425	2.2
309.50668	1.0
323.26065	5.7
329.03055	1.0
341.27054	41.3
342.27536	3.9
467.33859	2.2
503.26456	1.4
503.32520	10.1
504.32465	2.8
629.39227	55.1
630.39612	12.0
647.36768	1.3
665.37762	100.0
666.28271	1.9
666.38092	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	661.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83355	0.1
54.46243	0.1
59.69871	0.1
61.98709	0.2
71.52660	0.2
78.95805	0.7
79.95630	2.4
89.02413	0.1
96.87492	0.1
96.95918	100.0
97.95844	0.4
109.02858	0.6
125.02364	0.3
137.02402	0.1
139.03960	0.2
165.01955	0.1
167.03418	0.2
177.01889	0.4
181.05098	0.1
189.01958	0.5
195.06540	0.1
215.03505	0.1
217.01399	0.9
218.30925	0.1
227.03561	1.3
228.03928	0.2
231.03273	0.1
243.02991	0.2
255.03029	2.4
256.03564	0.3
267.65137	0.1
269.01041	0.1
273.03952	0.2
274.01285	0.1
284.03348	4.7
285.03967	0.8
340.99857	0.1
357.06323	0.6
391.14029	0.1
409.06009	0.5
467.09937	1.0
468.10452	0.2
483.43381	0.1
519.09583	0.4
563.14191	5.3
564.14606	0.8
661.16107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.8
61.98714	1.7
69.03343	0.2
71.01275	0.8
71.55801	0.3
78.33917	0.2
78.95779	0.3
79.95647	0.2
80.96426	0.2
81.09856	0.2
85.02847	0.5
88.98726	0.2
89.02351	0.3
96.95921	0.7
99.04428	1.0
101.02362	0.3
108.02056	0.2
109.02872	0.3
111.04465	0.3
112.82727	0.2
113.02381	0.3
113.06013	0.4
118.75890	0.2
119.03452	0.2
121.02879	0.8
121.06498	0.5
125.02374	0.3
135.04466	0.2
135.08104	0.7
136.05237	0.8
137.02361	0.2
137.05988	0.7
139.00356	0.2
140.01077	0.5
141.12796	0.3
148.05328	0.3
149.06033	5.6
150.06813	55.1
151.07133	2.5
152.99487	0.2
153.01836	0.3
153.52280	0.2
155.03444	0.9
161.04494	0.2
161.09688	0.7
163.07600	7.4
164.08391	8.5
165.05469	0.2
165.09048	0.8
165.12868	0.2
171.10240	0.4
171.13823	0.3
176.08406	0.5
177.09148	0.3
178.09981	2.7
179.10742	28.8
180.11092	1.6
183.13773	0.3
193.08653	0.6
209.11839	4.0
210.12169	0.8
211.13402	3.5
212.13815	0.2
227.12874	0.6
253.09364	0.6
275.20181	0.3
299.02063	0.2
306.07788	0.4
327.21887	0.2
333.20752	0.3
392.26184	0.4
462.33527	1.3
472.37613	0.2
477.36081	1.0
480.34689	11.3
481.35052	1.9
493.35190	0.3
494.36313	4.1
495.37045	100.0
496.37427	16.3
557.37524	0.2
651.25983	0.2
657.43469	3.7
658.43555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	4.9
61.98722	8.6
71.01272	5.1
71.52831	1.8
78.95799	1.1
79.95629	65.5
80.96413	11.1
81.03386	1.1
83.04877	0.9
85.02843	2.0
87.00748	1.4
88.98689	1.5
89.38652	1.0
94.97979	1.4
96.95901	5.4
101.02317	1.3
106.98019	0.9
109.02847	2.2
111.94633	2.9
113.02393	1.4
116.60065	0.8
121.01971	0.8
121.02916	1.6
121.06538	1.2
123.00816	2.9
123.04450	2.3
124.01587	4.0
125.02389	1.7
135.04504	1.4
136.05238	53.4
136.99028	1.1
137.02361	1.2
137.05585	1.9
138.03125	1.8
139.00310	1.4
139.03928	4.0
140.01094	2.2
146.02464	1.1
147.08000	1.0
148.99100	0.9
149.06056	8.5
150.06815	33.5
151.04025	1.0
151.07501	1.1
153.01924	2.0
154.02277	0.8
155.03433	2.6
157.12325	1.1
161.04491	2.6
163.06406	0.9
163.07582	4.2
164.08353	3.3
164.98639	1.8
165.05525	1.6
165.09166	36.1
166.09479	1.1
167.03456	1.3
169.12331	1.1
179.10741	7.0
185.11855	1.0
195.06595	1.0
196.71146	0.9
206.99573	1.1
209.11833	14.6
210.12254	1.7
211.13414	10.8
212.13567	1.3
225.00700	5.2
227.12924	2.0
241.00233	2.6
253.09305	0.9
256.77655	0.9
283.08215	1.4
299.04697	2.5
311.22427	1.7
327.21811	1.4
329.23419	27.4
330.23660	1.4
333.20728	1.1
373.26016	2.1
399.09802	3.3
425.72247	1.0
465.40817	1.0
477.32312	7.7
480.34613	2.7
494.32047	2.0
495.33328	25.8
495.37140	16.6
496.33432	2.9
496.38513	1.6
507.16510	6.4
508.16946	1.1
509.34402	1.1
531.56641	0.9
537.34381	1.5
609.25720	1.0
610.73059	1.0
639.27020	2.5
657.28156	13.4
657.38678	100.0
658.28625	2.9
658.39142	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	653.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39462	0.1
55.01778	1.1
56.99709	0.1
57.03342	1.1
58.00484	2.1
59.01267	35.0
60.01596	0.5
61.98727	0.2
66.68475	0.1
67.01788	0.2
67.62662	0.1
68.99709	0.4
69.03348	2.3
69.97672	0.1
70.11102	0.4
71.01271	35.7
71.87944	0.1
72.01601	0.5
72.99200	2.8
73.02840	5.8
75.00762	0.9
81.03347	1.4
83.01281	4.1
83.04898	0.3
85.02846	7.6
85.99987	0.3
87.00773	9.1
87.04423	0.2
89.02340	30.1
90.02686	0.6
91.03875	0.6
93.03374	0.2
95.01287	2.7
95.04942	0.3
95.97057	0.1
97.02858	5.8
98.03183	0.2
98.20522	0.1
99.00783	2.1
99.04412	0.5
101.02351	30.6
102.02688	0.6
103.00282	0.5
103.03931	0.4
103.33956	0.1
109.02872	0.7
109.82466	0.1
111.00792	0.5
111.04409	1.0
112.01605	0.2
113.02360	14.0
114.02678	0.3
115.03911	0.8
119.03420	9.2
120.03793	0.2
121.02859	0.5
123.00784	0.3
123.04458	0.4
124.01567	0.3
125.02372	11.6
126.02715	0.4
127.03930	0.4
131.03442	1.7
133.05016	0.8
135.04472	0.2
137.02386	0.4
139.03934	1.1
141.01881	0.6
142.02602	0.2
143.03439	5.9
143.04570	0.3
144.03798	0.2
149.02434	0.2
149.04521	1.1
155.03442	0.2
157.05032	0.2
159.02982	0.2
161.04504	7.2
162.04832	0.2
167.03380	0.9
169.05028	0.4
171.02951	0.3
179.05574	6.5
180.05949	0.2
181.05002	0.2
185.04517	0.6
197.04486	0.1
199.06107	0.4
203.05551	0.4
209.11882	0.3
217.07175	1.0
219.05075	0.4
221.06662	2.0
223.06226	0.1
233.06801	0.2
235.08249	14.9
236.08568	0.8
237.22241	0.2
245.06676	0.8
245.84958	0.1
253.09354	3.6
254.09535	0.2
255.23338	93.8
256.23679	9.2
259.48587	0.1
263.07773	1.3
269.24918	0.6
277.09232	0.8
287.07800	4.0
288.08319	0.2
297.24414	0.2
305.08868	4.1
306.09204	0.3
314.34912	0.2
323.09915	1.9
341.10782	0.1
344.53638	0.2
361.11246	0.7
379.12439	1.1
397.13593	100.0
398.13947	8.9
415.14667	34.3
416.15030	3.2
634.15381	0.1
653.38501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
57.03330	5.1
58.00481	2.6
59.01259	6.3
61.98721	24.5
69.27354	5.4
69.27773	6.3
71.01275	25.5
71.04923	1.8
72.99197	2.2
73.02840	31.5
74.02389	1.3
78.95804	7.5
79.95612	2.0
80.96404	3.5
81.03352	1.5
83.01276	4.7
84.02074	1.1
85.02843	12.7
87.00768	1.3
87.04414	25.6
87.04896	1.9
88.98721	2.8
89.02345	2.5
90.74055	1.1
95.01280	6.4
96.95897	5.9
96.96877	1.6
97.02870	1.5
99.00789	4.1
99.04432	1.6
101.02356	12.9
108.02086	1.6
109.02902	1.8
110.10650	1.2
111.00790	3.1
111.04369	1.1
113.02371	14.1
113.09644	2.9
119.03391	1.3
119.04945	1.4
120.99612	2.0
121.02896	4.0
122.03698	1.1
123.00801	58.9
123.04427	4.5
123.08085	2.1
124.01595	72.1
125.02490	5.5
125.09725	2.1
128.03452	2.0
135.04469	2.2
136.05212	2.0
137.02391	4.6
137.09645	2.8
138.03169	26.4
139.00294	1.5
139.03954	39.1
139.11206	3.7
140.04276	1.3
143.03476	1.7
143.04559	3.5
143.10739	3.8
149.02390	2.6
150.03116	1.5
150.06773	1.1
151.00284	2.1
151.04053	1.7
151.11230	3.0
152.99554	3.8
153.01859	3.2
153.09134	2.5
153.12695	1.3
155.10698	1.9
159.02972	3.2
160.00677	2.0
161.04501	29.3
163.03925	1.9
163.11203	1.4
166.02686	2.0
167.03464	5.5
167.10736	3.3
169.12341	9.5
170.12819	1.2
171.10216	4.3
171.13902	1.2
179.10735	1.3
181.05038	6.5
181.12390	1.2
187.13376	5.5
191.03551	1.9
191.05559	1.3
193.05116	3.0
207.06612	1.2
209.11832	6.1
211.13486	2.1
216.13594	1.8
217.14441	5.8
225.00879	1.3
225.11307	1.4
235.34821	1.1
253.09386	1.3
254.07793	1.1
301.09369	71.7
302.09656	5.9
306.07721	13.2
307.08261	1.2
311.26004	1.3
313.24231	1.3
327.25516	10.0
329.27072	18.5
330.27383	1.6
337.20313	2.2
355.25021	28.1
356.25189	3.6
362.20215	1.2
373.26041	100.0
374.26401	11.3
389.69748	1.3
397.25983	4.9
409.19452	1.3
427.27213	1.8
439.27115	1.4
495.18829	2.2
495.37692	2.1
517.30261	2.6
596.76160	1.1
621.17944	1.4
657.35950	38.6
658.36133	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	653.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18869	0.4
59.01267	0.9
65.40884	0.4
69.97677	2.1
71.01275	0.8
71.57677	0.4
76.01825	2.1
85.02863	0.4
89.02346	1.1
107.49976	0.4
113.02368	0.5
118.02907	21.7
119.03318	1.4
129.61670	0.4
146.02420	100.0
147.02769	3.8
179.05592	1.5
298.13901	0.4
458.80963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79352	0.2
55.01772	1.1
55.25515	0.3
57.03337	1.2
57.39882	0.2
58.00482	2.2
59.01268	35.4
60.01612	0.4
61.98707	0.3
67.30779	0.2
68.99712	0.4
69.03345	1.8
71.01273	33.9
72.01617	0.4
72.99207	3.0
73.02840	6.4
75.00772	0.7
78.95802	0.3
81.03360	1.2
83.01275	3.9
85.02343	0.5
85.02850	7.7
86.00033	0.3
86.67848	0.2
87.00777	8.3
87.04391	0.3
89.02341	33.0
90.02675	0.5
90.10644	0.2
91.03894	0.5
93.03367	0.3
95.01282	2.2
97.02850	6.6
99.00791	2.5
99.04409	0.4
101.02351	29.3
102.02728	0.4
103.03923	0.4
109.02880	0.6
111.00813	0.6
111.04443	0.9
113.02361	14.9
114.02741	0.3
115.03947	0.8
119.02566	0.5
119.03425	10.1
121.02862	0.3
123.00809	0.4
123.04399	0.3
124.01630	0.4
125.02372	13.8
126.02727	0.3
127.03953	0.3
131.03432	1.7
133.04993	0.9
137.02359	0.3
139.03972	1.1
141.01878	0.6
143.03441	5.8
149.04538	1.0
157.05064	0.3
161.04517	6.4
162.04904	0.3
167.03462	0.7
169.05028	0.6
171.02939	0.3
179.05576	6.5
180.05893	0.2
185.04535	0.6
199.06139	0.5
203.05695	0.4
217.07210	0.8
219.05119	0.5
221.06676	2.2
222.06970	0.3
235.08257	14.7
236.08673	0.6
245.06711	0.9
253.09328	3.0
255.23341	100.0
256.23682	7.8
263.07690	1.3
269.24905	0.6
277.09293	0.7
287.07791	4.1
297.24258	0.2
305.08856	4.2
306.09183	0.3
312.86874	0.2
323.09915	1.8
361.11520	0.6
379.12549	1.2
397.13599	96.4
398.13937	8.5
398.19238	0.3
415.14682	34.5
416.14981	2.9
433.84225	0.2
598.40985	0.3
653.38110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1743
Annotation	Syringetin 3-rutinoside
Peak:m/z	Relative Intensity
55.23641	0.3
57.37371	0.3
60.83968	0.3
63.02297	0.4
65.00224	0.4
70.55421	0.3
71.01259	0.3
71.05354	0.7
71.05699	0.3
83.01274	0.4
93.77306	0.3
96.95952	0.5
101.90843	0.3
107.01313	0.7
124.63661	0.3
125.02412	0.3
151.00313	2.6
163.00366	0.5
165.01802	0.3
169.01393	0.4
172.90935	0.3
177.01817	0.3
178.99875	0.9
182.87593	0.3
189.01894	0.3
196.74516	0.3
199.04106	0.5
202.02705	0.8
203.03438	0.7
213.01926	0.7
214.02682	1.0
215.03459	0.9
217.01454	0.3
227.03488	0.4
230.02222	4.3
231.02885	0.6
234.05385	0.5
241.01456	2.7
242.02249	7.6
243.03001	2.8
245.01010	0.5
257.01038	1.6
257.04388	0.3
258.01736	7.6
259.02527	3.8
261.00525	0.5
269.00986	1.3
270.01797	6.6
271.02475	4.5
272.03275	1.7
273.01093	0.3
273.01715	0.2
273.04111	7.6
274.01215	2.1
274.04755	0.9
285.00797	0.6
285.04156	1.7
286.01294	8.5
286.04346	0.3
287.02011	7.1
287.05591	1.6
288.02469	0.7
289.07379	0.5
297.00464	0.6
298.01169	1.8
299.02023	2.3
300.02701	1.0
301.03625	11.2
302.04160	1.4
314.00842	1.6
315.01581	15.4
315.05096	1.4
316.01923	1.4
316.06000	2.1
317.06784	1.6
326.76096	0.3
329.03113	51.8
330.03802	24.8
331.04312	2.5
343.04739	2.5
344.05447	34.6
345.06210	58.7
346.06573	6.1
387.07483	0.8
503.19366	0.5
653.17395	100.0
654.17749	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	653.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08771	0.2
50.15527	0.3
59.01260	1.1
60.25304	0.2
70.28845	0.2
71.01264	1.0
71.20857	0.6
76.01813	2.5
85.02856	0.3
89.02322	1.1
91.64175	0.2
101.02390	0.3
113.02345	0.4
118.02905	21.9
119.01375	0.2
119.03292	1.0
125.52753	0.2
146.02419	100.0
147.02762	4.4
163.18643	0.2
179.05528	1.0
181.32753	0.2
183.72441	0.2
307.93893	0.2
326.08844	0.3
540.69257	0.3
653.70258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30427	0.1
59.01266	0.9
60.18560	0.1
61.98719	100.0
69.19828	1.2
71.01274	1.1
73.02834	0.2
80.29025	0.1
85.02853	0.2
89.02348	0.3
90.83945	0.1
92.45850	0.1
96.95923	0.2
101.02380	0.3
113.02365	0.3
121.02917	0.1
124.01540	0.1
125.02381	0.2
141.01668	0.4
166.49847	0.1
171.10271	0.8
209.11906	0.1
221.08252	0.3
222.08548	0.2
223.08858	0.1
225.11461	0.1
284.65298	0.1
333.28256	0.1
365.14087	0.2
367.15427	0.3
515.17377	0.2
516.16937	0.3
651.40155	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.6
61.98723	7.4
71.01271	3.0
71.55480	0.6
71.55883	0.9
73.02854	0.8
78.95809	0.7
80.71642	0.7
85.02856	1.6
89.02319	0.9
93.03371	1.0
96.95924	1.7
101.02367	1.9
105.90632	0.6
107.59737	0.6
113.02381	1.1
116.64593	0.7
117.03392	27.7
118.03706	1.3
119.04956	14.2
121.02885	1.3
123.04440	0.9
130.56483	0.6
137.02400	0.6
145.02901	100.0
146.03294	4.6
147.04404	0.7
147.68855	0.8
153.01926	0.7
161.04597	0.8
161.06061	1.5
163.02689	1.0
163.03981	10.7
171.10197	0.8
177.00644	0.7
187.03929	1.0
209.11902	1.2
213.05457	0.7
242.02275	2.7
247.06192	1.5
254.02295	1.8
255.02864	1.0
257.04617	3.4
269.04578	2.0
270.01804	1.1
283.02789	1.9
284.03192	1.0
285.04132	2.1
298.01273	0.7
298.04855	1.2
299.02194	1.7
299.05612	0.8
307.08319	76.2
308.08698	7.0
313.03662	23.6
313.07056	1.6
314.04236	3.2
328.06018	11.0
328.13190	1.4
329.06662	4.8
329.14075	1.1
343.08304	15.2
343.15549	1.8
344.08661	2.1
349.69104	0.8
388.24237	0.7
651.16687	5.5
651.40222	3.0
652.17853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1529
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
52.81601	0.4
55.44882	0.4
56.23143	0.4
59.01262	1.2
61.29359	0.4
61.72896	0.4
61.98709	1.5
63.02281	0.6
65.00225	1.3
70.03185	2.0
71.01272	1.4
73.02839	0.7
83.01283	1.0
88.98689	0.9
89.02326	0.5
93.03398	0.6
96.95916	1.0
100.25844	0.4
101.02374	0.7
107.01286	2.1
108.02114	1.0
109.02870	0.7
113.94180	0.5
116.92775	0.6
117.03384	2.8
119.04929	1.1
121.02859	0.4
123.00727	0.4
124.01556	0.4
125.02372	0.5
132.02094	1.5
133.02872	2.8
134.03687	2.7
135.00870	0.6
135.04451	2.2
137.02388	0.7
137.05983	0.6
139.03964	0.5
143.05022	0.5
145.02896	4.1
149.02356	0.5
149.05981	0.6
151.00285	4.3
159.04541	0.6
160.01610	5.8
161.02400	6.3
163.00333	1.7
163.03952	0.7
171.04460	1.6
174.03271	0.4
175.03975	5.0
177.01901	0.5
178.99844	0.5
179.03456	1.5
183.04506	0.9
186.03223	0.5
187.03911	0.9
193.05038	1.4
198.03088	0.4
199.04019	3.9
201.01898	1.5
202.02690	0.9
203.03508	1.0
213.02151	0.6
214.02722	0.5
215.03496	2.5
216.04164	0.7
221.04555	0.8
226.02771	3.3
227.03520	4.5
230.02190	2.6
231.02985	0.8
241.01575	0.5
242.02222	0.9
243.03023	13.2
244.03555	1.1
254.02269	2.7
255.03050	9.2
256.03580	0.9
258.01736	4.0
259.02545	2.8
269.00992	1.1
269.17633	1.1
270.01654	0.7
271.02554	80.8
272.03006	6.9
273.04095	0.5
282.01801	0.6
284.03256	0.8
285.04062	1.3
286.01288	8.6
286.04517	0.5
287.02011	6.7
287.05115	0.4
298.01340	0.6
299.02057	58.6
300.02808	71.1
301.03470	14.1
302.04089	1.1
307.08292	0.9
313.03690	0.7
314.00671	2.6
314.04358	4.0
315.01620	7.4
315.05151	79.5
316.01886	1.0
316.05463	6.1
323.07800	14.2
323.11618	0.8
324.08170	0.8
329.03064	17.1
329.06763	8.2
330.03848	17.8
331.04288	1.4
337.09366	0.9
345.06250	24.1
346.06723	1.9
357.06171	0.8
409.68201	0.5
459.09436	0.7
462.08176	0.5
477.10516	4.0
507.11353	0.8
565.27405	0.5
616.76941	0.4
621.24152	0.4
623.10327	0.8
638.12830	7.8
639.13165	1.0
653.15283	100.0
654.15649	17.7
678.90033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21372	1.0
50.70709	1.3
59.01257	3.1
61.98701	2.1
69.03336	2.0
83.04929	2.2
84.02052	4.3
95.04948	1.4
97.02849	4.2
97.06506	9.2
99.00780	1.5
99.04406	2.3
106.04125	1.3
109.02873	2.7
109.06517	2.0
123.04451	3.8
123.08057	1.5
125.09636	5.3
135.08092	2.6
137.09599	2.0
141.05508	3.3
153.01862	2.4
153.09181	7.7
158.22456	1.0
163.07713	1.5
163.11234	5.9
165.12811	2.1
171.10237	31.2
179.10767	1.7
181.12325	2.9
185.11819	7.2
191.14403	8.8
193.12294	8.9
196.81607	1.3
197.11815	1.7
201.11195	1.4
207.10207	6.2
209.11850	10.6
211.13412	3.7
217.16034	1.3
225.11475	7.1
225.14963	13.3
227.12907	2.3
237.34221	1.3
243.12436	11.6
243.16029	4.5
245.19167	16.9
263.20221	2.2
289.18167	60.0
290.18350	5.5
291.19998	1.3
305.17621	2.6
307.19238	100.0
308.19543	8.7
323.18674	2.1
325.20279	31.2
326.20618	2.8
341.23410	64.4
342.23627	5.1
519.77515	1.2
567.28729	2.7
613.41016	3.5
631.42181	4.3
632.43060	1.3
649.32739	4.4
649.43286	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	649.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05948	0.9
57.03337	2.3
59.01257	3.7
61.40857	1.1
65.27687	1.0
69.03353	1.1
69.36443	10.1
71.01283	3.9
73.02826	1.3
77.17344	0.9
80.02581	2.2
81.03365	3.1
83.04916	6.5
84.02084	3.2
85.02869	1.3
93.03360	1.1
95.04918	5.4
96.95929	1.3
97.02858	3.1
97.06493	5.6
98.03629	1.2
99.08106	1.2
103.64735	1.0
107.04948	5.6
108.02090	2.9
109.06515	4.2
110.03684	1.7
111.08067	1.2
111.44757	0.9
113.05974	1.2
113.09626	1.1
115.07590	2.5
121.02881	1.9
121.06537	2.2
123.04452	3.0
123.08079	3.5
125.02351	2.0
125.06027	6.4
125.09646	14.1
127.07572	7.3
135.04520	1.2
135.08073	8.8
137.09663	1.8
139.07568	6.6
141.05542	1.5
141.09142	1.9
151.07573	4.4
151.11221	2.6
153.09154	13.9
153.12721	1.4
155.10748	2.2
163.11232	10.6
165.09180	1.6
165.12840	4.1
169.08667	3.1
171.10226	16.3
172.10561	1.1
176.08411	2.4
178.09962	3.7
181.12314	3.8
185.11826	19.0
186.12170	1.2
187.09740	1.6
191.10751	2.8
191.14421	3.5
197.11821	17.0
199.09692	4.3
201.11266	7.3
207.10246	10.2
209.11823	100.0
210.12112	6.1
211.13434	2.0
225.11314	12.7
226.11781	1.1
227.12976	3.5
236.10631	3.6
237.11205	1.8
238.12167	3.2
243.12346	2.0
243.17648	2.7
245.19176	6.4
256.13208	1.2
261.14871	1.2
261.18668	4.0
277.18179	2.1
279.19577	4.8
287.16547	9.1
288.17038	1.7
289.18192	20.7
290.18594	3.5
291.19656	1.8
301.92352	1.0
305.17661	78.2
306.18124	8.5
307.19238	51.6
308.19644	4.4
309.20770	1.0
323.18698	13.2
324.19220	1.6
325.20285	22.6
326.20685	3.5
368.85742	1.2
378.55750	1.1
401.23471	1.5
425.27103	1.1
443.28217	1.5
461.29913	1.2
481.16412	1.1
499.30701	2.3
517.32092	1.6
533.30786	1.6
595.36536	1.7
613.38037	5.6
614.38257	1.7
631.38910	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	647.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	1.2
65.47446	1.0
70.82003	0.9
72.62980	1.0
72.99208	5.8
73.52566	0.9
78.95803	3.7
85.08590	0.8
85.43649	0.9
97.02861	1.1
97.06491	6.4
109.06558	0.9
123.04359	1.2
125.06003	21.0
125.09662	2.6
137.09485	1.2
143.07082	86.1
144.07431	3.4
151.11240	17.5
152.11557	1.3
163.11322	2.2
169.12302	100.0
170.12662	4.6
171.10165	1.5
185.11807	2.8
191.14398	4.2
195.10094	1.5
207.10324	1.2
209.11827	3.0
213.11325	91.0
214.11581	5.6
245.19122	6.1
255.23335	5.8
289.18161	15.8
290.18497	2.2
307.19235	29.1
308.19604	2.8
311.22141	1.1
325.20261	2.7
339.18201	43.7
340.18518	4.4
433.26187	5.2
483.27325	4.9
490.74304	1.0
521.31366	24.1
522.31464	3.6
647.38177	15.0
648.38306	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01038	0.3
59.01266	3.2
61.98713	1.0
64.01814	0.3
71.01278	2.3
71.58765	0.4
72.89006	0.2
75.98051	0.2
76.01823	3.0
78.95798	0.5
85.02859	0.3
89.02326	1.8
90.98643	0.3
92.01315	0.3
95.01274	0.3
96.26180	0.2
96.95892	0.3
99.00801	0.3
101.02343	1.1
107.01229	0.2
109.02897	0.5
113.02357	1.0
118.02905	22.8
119.01333	0.4
119.03336	1.3
120.04453	0.4
125.02407	0.5
135.00810	3.1
146.02417	100.0
147.03217	23.7
148.03545	1.0
153.01842	0.4
156.27020	0.3
161.01128	0.4
162.01918	30.1
163.02345	1.1
179.05580	0.9
183.06819	0.4
212.10800	0.9
264.05170	0.4
297.06171	0.8
324.07495	0.6
325.08002	1.5
409.20490	0.4
418.20438	1.0
436.21359	5.6
437.21622	0.5
468.24088	2.8
469.24368	0.3
648.30090	1.3
649.30878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54765	0.7
59.01261	10.8
59.81221	0.7
61.98709	3.1
64.92976	0.7
65.82302	0.7
69.03346	15.9
69.80616	2.9
69.81036	1.2
71.01271	11.1
71.04912	31.3
72.99180	1.6
73.02833	2.4
75.00777	1.1
75.02302	1.0
77.03847	0.8
78.95813	0.8
83.01270	1.8
83.04921	0.9
85.02824	3.5
87.00764	4.6
88.98712	0.7
89.02328	3.4
89.05984	1.6
93.03362	1.8
95.01266	0.7
96.95911	1.1
97.02854	0.7
99.00805	2.5
101.02351	5.2
107.04932	1.2
109.02853	0.6
113.02371	4.8
119.04900	0.8
121.02873	18.1
123.04422	1.5
125.02401	3.2
131.03410	0.7
134.03679	7.3
137.02370	0.9
141.01662	3.9
141.09151	1.3
143.03430	1.0
147.00797	2.2
147.08119	1.7
149.04446	1.1
149.09653	3.9
161.04489	1.9
162.01825	0.8
165.01939	1.2
171.10201	0.7
177.09175	8.0
187.07608	1.3
190.36292	0.7
190.99849	1.1
193.08719	2.0
201.11313	1.3
209.11783	1.0
221.08199	100.0
222.08524	6.2
233.10417	0.7
251.11438	3.5
257.08258	1.9
275.18619	3.7
290.66858	0.7
291.08810	2.1
365.14590	26.4
366.15094	2.6
381.11917	2.8
383.15591	2.0
400.89355	0.7
439.21735	1.6
484.36349	2.1
505.68341	0.7
513.16241	44.4
514.16510	4.8
562.46356	0.8
581.50854	0.7
603.27777	1.1
647.30670	2.0
647.40326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.3
58.02858	0.4
59.01266	0.9
61.98714	3.2
66.77898	0.3
69.66881	1.4
71.01269	1.5
73.02837	0.3
74.02366	1.1
78.95796	0.6
78.98511	0.3
79.95626	1.4
80.96413	5.2
85.02812	0.5
86.02402	0.6
87.00773	0.4
89.02366	0.3
94.97977	1.1
96.95928	0.8
96.96866	0.3
97.02843	0.4
97.03975	0.2
99.04430	0.7
99.05553	0.7
101.02338	0.7
107.04961	0.4
109.02848	0.5
109.06504	0.3
111.04446	0.5
113.02357	0.3
121.02895	0.3
121.06496	1.1
122.03671	1.1
122.97507	0.6
123.04447	0.7
123.05580	0.3
123.08096	0.3
125.02368	0.8
127.21278	0.3
128.03458	2.6
131.51653	0.2
134.97491	0.5
135.04483	2.6
135.08107	0.3
136.05237	44.6
137.02335	0.5
137.05672	1.3
139.04027	0.2
141.12788	0.7
143.04558	3.3
147.08101	1.1
148.99071	0.6
149.06027	4.5
150.06813	4.6
151.03896	0.4
151.07544	0.9
152.98570	0.5
153.01874	0.2
160.00691	0.8
161.04503	0.3
162.06827	1.2
163.07603	0.7
164.04686	0.3
164.08398	3.7
164.98619	0.8
165.09171	39.5
166.09512	2.0
167.03410	0.4
167.07111	0.3
177.03409	0.3
179.04564	0.6
179.07079	0.7
192.12593	0.3
197.11836	2.2
206.99663	0.4
207.10225	0.3
209.11813	2.6
210.08847	0.7
225.00761	2.2
227.12891	0.3
253.09201	0.4
254.07826	0.7
271.02484	0.6
272.09036	1.6
276.31110	0.2
288.06638	0.4
293.27701	0.3
299.01938	0.5
299.04965	0.3
300.02921	0.4
306.07712	8.6
307.19196	0.3
315.05237	0.8
350.99142	0.3
413.71252	0.3
448.32022	0.6
463.12106	0.2
463.34387	1.8
466.33191	2.9
479.34290	1.1
480.35010	1.2
481.35477	100.0
482.35822	17.1
620.68127	0.3
643.30060	8.0
643.40057	2.3
644.30286	1.6
644.40479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86760	1.3
57.03349	1.4
59.01259	4.3
60.06173	1.2
60.36839	1.2
61.98725	1.7
62.78229	1.3
71.01258	6.6
71.55244	1.5
71.55640	2.1
73.02834	1.5
83.17509	1.2
85.02845	4.3
89.02351	3.6
96.95900	2.3
101.02343	3.0
108.02043	1.6
111.08080	9.4
111.12680	1.6
112.08427	2.3
113.02342	3.2
118.02872	2.5
120.00864	1.9
121.02847	1.7
121.80708	1.2
123.08170	1.3
127.07578	1.8
133.01636	3.0
133.02690	1.2
134.03671	6.5
135.04413	3.5
136.01591	30.1
137.02391	28.1
146.02478	6.2
161.01134	42.2
161.04436	2.3
162.01840	2.0
169.12309	2.9
173.04585	2.1
178.02753	2.3
197.11823	27.9
197.13539	2.7
198.12135	11.4
199.12471	1.3
208.97423	1.3
211.13371	5.7
212.13713	2.7
219.10034	17.6
220.10350	8.0
233.11684	6.6
234.11938	3.4
243.13873	3.4
264.20700	2.0
265.18030	1.9
271.13321	6.7
291.19757	4.4
292.20148	3.4
309.20807	23.3
310.21133	24.3
311.21878	10.0
315.12662	2.2
331.18991	7.4
332.19333	5.7
333.19763	2.6
342.13541	3.7
427.21381	6.5
469.22360	8.5
616.27740	100.0
617.27997	19.1
642.40845	2.5
643.29657	1.4
643.40625	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	643.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.1
59.01278	6.3
61.98703	1.1
71.01271	10.9
71.53043	2.0
73.02838	2.2
81.95273	1.1
83.01289	1.2
85.02850	2.9
86.44250	1.1
89.02358	3.2
95.01337	1.6
95.63109	1.0
96.95872	1.1
97.02863	3.1
101.02358	4.4
102.90884	1.0
108.02093	3.1
109.02836	2.0
111.00793	1.3
113.02379	3.4
118.02867	1.4
120.00844	2.7
125.09615	1.1
133.01646	3.2
135.04425	1.0
136.01611	32.0
137.02397	23.1
138.02760	1.0
140.58757	1.0
141.22588	1.1
146.02403	6.7
147.03197	2.8
148.03967	1.5
161.01144	41.7
161.04449	1.3
162.01802	2.2
165.12825	1.2
211.13408	3.9
224.07133	1.1
237.11545	1.1
243.13991	2.5
255.14000	2.2
262.11853	1.4
271.13477	3.0
287.13031	1.1
291.19794	1.7
292.20206	1.5
293.21204	3.8
309.20874	4.0
310.21225	2.1
311.20761	1.0
315.19528	15.7
321.77301	1.1
331.19037	2.3
332.19543	1.5
342.13669	2.0
427.21310	9.0
436.21381	2.1
482.24753	1.2
616.27734	100.0
617.28137	16.2
642.40509	2.2
643.41632	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.3
61.98705	0.4
62.09718	0.3
67.01781	0.3
67.25936	0.4
69.03345	4.4
69.96640	1.3
70.30252	0.2
71.01257	1.1
81.96483	0.2
84.02036	0.2
93.03344	0.4
95.04884	0.4
97.02852	26.0
97.06469	0.8
98.03190	0.6
107.04924	0.3
111.04397	0.9
113.09608	0.3
125.05998	1.7
127.07520	0.5
152.00865	1.3
163.02361	0.3
165.12764	0.7
167.14308	0.3
168.00284	0.6
176.97911	0.3
177.01627	0.3
178.02437	3.8
178.61156	0.2
180.00430	0.3
181.12299	0.8
183.13866	0.3
191.03214	3.6
195.13928	0.4
210.01437	3.7
211.13383	2.6
212.13846	0.3
219.06413	3.6
220.06828	0.5
221.11618	0.3
222.29395	0.2
223.13203	0.6
233.07973	0.9
233.11627	1.2
234.08707	0.7
247.20721	0.5
261.11133	33.9
262.11899	76.3
263.12241	4.9
267.12112	0.7
271.00119	0.3
273.18591	0.4
291.19742	4.2
292.20218	0.4
293.08948	0.3
294.10968	8.3
295.10901	1.0
309.20798	11.9
310.21188	0.8
313.17963	0.7
315.62146	0.3
329.16470	0.4
331.18976	100.0
332.19333	9.2
333.95963	0.3
363.16510	0.3
454.12546	0.3
465.99460	0.3
533.83313	0.3
572.32007	1.8
573.32684	0.4
641.27612	0.3
641.39429	1.1
642.38776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68472	0.4
57.03336	1.0
59.01263	1.0
61.98719	0.6
64.83120	0.4
69.03352	1.4
69.53865	2.9
71.01269	0.7
83.04913	0.6
93.07016	0.4
95.04928	0.5
97.02842	0.7
97.06522	0.5
98.20535	0.7
99.00787	0.4
101.02377	0.4
109.06469	0.8
111.08072	20.6
112.08387	0.9
127.07554	1.7
130.28384	0.3
137.09648	0.4
139.11253	0.4
141.09134	0.4
147.11768	1.9
149.09665	0.6
151.11256	3.1
153.09230	0.6
153.12808	1.4
165.12814	3.0
167.10684	0.5
169.12299	6.0
179.10730	0.6
181.12315	1.2
183.13939	1.8
193.12263	0.8
197.11818	63.5
198.12175	4.3
199.13373	2.6
209.11780	0.5
211.13399	17.1
212.13750	0.6
215.10419	1.9
217.08449	1.3
219.10028	41.5
220.10350	3.0
227.12888	1.1
231.10190	0.5
233.11610	19.6
234.11948	1.1
247.20525	0.5
251.11354	0.6
253.09473	0.6
261.11108	0.9
263.20218	3.5
265.18158	1.5
273.18558	0.8
287.16321	1.3
291.19720	11.8
292.20139	1.0
309.20792	100.0
310.21124	10.6
313.18076	1.0
331.18982	26.4
332.19385	2.5
375.18076	4.6
376.18076	0.5
431.23071	0.6
445.24680	1.8
447.22556	0.5
543.31720	0.9
554.13373	0.4
641.40247	16.7
642.40692	4.4
648.29578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
59.01258	0.6
61.98721	0.8
70.57379	0.9
70.57770	0.8
71.01271	1.6
78.20438	0.4
78.95804	0.4
79.32623	0.4
81.79939	0.4
95.04926	0.4
97.02861	0.9
104.56281	0.3
107.58481	0.4
111.08054	2.4
113.05984	0.5
123.08122	0.5
125.09682	0.7
127.07589	0.7
137.05951	0.4
139.07614	2.7
141.09152	0.5
149.00900	0.4
150.69246	0.4
151.11189	1.1
153.12825	1.8
155.10779	0.7
160.41541	0.3
167.06966	0.4
167.10730	1.3
169.12312	1.7
179.14383	0.9
181.12329	2.0
181.37071	0.4
197.11841	0.7
205.03578	0.9
207.10081	0.9
207.13864	1.1
209.11633	4.0
211.13403	4.6
212.13786	0.5
215.12863	0.4
219.05109	0.4
219.10039	5.4
220.10312	0.4
221.11610	1.6
221.15318	0.4
223.09525	1.2
227.12891	0.4
228.13620	0.4
237.11128	1.1
247.09583	0.9
247.20685	0.9
248.10255	2.7
249.11043	2.3
251.09026	0.8
253.10655	4.9
263.12784	0.8
263.20245	1.3
264.95264	0.4
265.10559	0.5
273.18686	0.6
274.11938	1.5
276.13507	0.5
284.69968	0.4
291.19724	9.2
292.20270	0.7
294.09714	2.0
301.17920	1.5
302.15176	0.8
303.19513	3.8
304.20047	0.4
309.20792	31.7
310.21051	3.2
313.18054	1.5
317.17334	0.5
329.16971	0.7
329.68832	0.4
331.18988	100.0
332.19305	9.1
363.16852	3.2
364.16830	0.6
641.39624	2.2
642.39752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3927
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
52.22026	0.1
53.22086	0.1
57.03345	0.4
59.01252	0.6
61.98722	4.0
63.19419	0.2
65.10743	0.1
69.30106	1.6
71.01270	0.8
72.99214	0.2
78.95782	0.5
84.76601	0.1
85.02853	0.4
88.98709	0.4
89.02339	0.3
93.03335	0.2
96.95917	1.0
99.04433	0.6
101.02371	0.3
107.04922	0.2
109.02879	0.4
111.04433	0.4
113.02354	0.2
121.06494	0.8
122.03647	0.8
123.00855	0.2
123.04447	0.7
123.08060	0.3
124.01584	0.5
135.04497	1.0
135.08136	0.2
136.05235	33.3
137.02393	0.4
137.05878	1.0
137.09653	0.3
138.03156	0.4
139.03926	0.6
141.12775	1.0
147.08083	0.8
148.05176	0.3
149.06018	4.6
150.06822	3.8
151.03899	0.2
151.07491	0.5
152.99498	0.4
161.04517	0.3
162.06819	1.0
163.07600	0.5
164.04733	0.3
164.08408	3.1
165.09167	31.2
166.09509	1.7
171.10266	0.2
171.13858	0.2
179.07089	0.6
197.11935	0.2
200.14198	0.4
201.14738	0.2
207.10248	0.5
209.11784	0.2
225.11320	0.3
274.15808	0.2
277.18307	0.2
279.50351	0.2
289.18082	0.4
292.16965	1.0
292.19913	0.2
293.17505	0.1
306.18481	0.3
307.19223	4.3
308.19635	0.4
321.20779	0.8
336.19458	1.0
350.20950	0.5
357.26474	0.5
446.30911	0.2
450.87207	0.2
461.20871	0.2
461.33188	0.9
462.32822	0.3
464.31177	0.8
477.32379	0.5
478.33017	1.1
479.33899	100.0
480.34238	16.6
641.29083	0.2
641.39740	2.1
642.39777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51671	0.5
57.03331	1.2
58.00488	0.6
59.01258	1.5
61.93924	0.5
61.98714	1.1
69.03345	1.9
71.01264	1.1
71.34175	1.1
83.04920	1.3
87.31052	0.6
93.06998	0.5
97.02856	1.5
97.06432	0.7
101.02361	0.5
109.06516	0.6
111.08073	16.8
119.08578	1.3
127.07567	0.9
147.11783	4.8
151.11192	1.0
153.09163	0.7
153.12811	1.5
165.12788	5.8
167.10750	0.8
167.14114	0.6
169.12312	7.6
170.12654	0.7
173.06339	0.5
179.10721	0.9
181.12305	1.7
183.13901	1.5
193.12334	0.9
197.11824	79.8
198.12151	4.2
199.13394	2.3
205.12115	0.7
211.13416	17.5
211.15424	1.0
212.13766	0.9
215.10489	7.9
217.08351	0.6
219.10085	5.5
227.12935	1.6
231.10068	0.8
233.11620	80.6
234.11966	5.2
251.11298	0.7
259.09506	0.9
261.11185	1.8
262.11902	4.2
263.20221	2.6
265.18143	2.0
291.19748	13.1
292.20068	1.0
294.10800	0.6
309.20813	100.0
310.21146	10.6
311.22446	0.6
313.17920	2.3
331.18997	16.8
332.19360	1.8
375.18008	1.0
431.22794	1.6
445.24481	2.3
446.25052	0.9
543.31976	1.5
551.88831	0.7
641.40558	17.5
642.40656	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	641.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90525	0.2
57.03299	0.7
59.01233	0.7
61.98703	0.4
69.03304	0.7
70.06065	1.2
71.01260	0.2
74.83133	0.2
80.02538	0.3
81.03320	0.7
88.19241	0.2
90.22014	0.2
93.03369	2.7
95.04919	0.6
97.02852	1.6
97.06492	0.4
98.03608	0.3
104.81297	0.3
107.04935	2.2
109.06462	0.4
111.04374	0.5
111.07996	0.5
121.06527	0.5
123.04375	0.4
123.08060	0.4
125.05982	0.4
125.09611	1.0
126.40049	0.3
127.07557	0.3
127.11185	0.3
137.09695	2.0
139.11253	0.3
141.09146	0.4
141.12848	0.4
142.02509	0.3
151.07590	0.4
151.11203	0.4
153.12753	0.6
161.09737	0.3
162.10367	0.4
163.11217	3.0
165.09138	0.6
165.10526	0.3
165.12808	4.7
166.01132	0.4
166.09918	0.6
166.13043	0.4
168.73062	0.2
171.10254	0.5
177.12759	0.5
179.10692	0.5
179.14418	1.5
181.12308	1.9
183.13841	0.4
193.08357	1.3
193.15935	1.2
197.11774	0.6
205.03505	0.3
205.08618	0.3
207.10063	2.5
209.11780	0.9
211.11484	0.4
211.13379	5.6
215.10472	0.4
217.08531	0.3
219.10046	1.7
221.11664	0.9
223.13377	1.7
227.18040	0.7
231.10081	1.8
231.98778	0.3
243.10045	0.3
244.10780	2.1
245.11646	0.5
245.19150	1.4
247.09621	1.4
247.20694	4.2
248.10335	4.5
248.21005	0.5
249.10973	1.1
262.11884	1.3
263.12610	0.8
265.10461	0.2
273.18723	1.3
283.13354	0.5
283.16885	0.4
284.13940	0.3
285.18512	0.4
287.16376	0.4
291.19742	33.1
292.20093	3.3
293.15564	0.4
294.09784	0.6
295.16809	0.8
303.19550	0.4
309.20798	48.2
310.21136	4.7
313.17926	20.9
314.18204	2.1
317.17450	0.3
331.18985	100.0
332.19351	9.2
447.22726	0.4
641.40399	7.3
642.40717	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15256	0.5
55.01787	0.5
57.03338	5.4
58.00488	0.9
59.01263	3.4
61.98723	5.3
68.99740	0.5
69.03356	1.0
69.95834	2.8
71.01278	24.3
71.04916	1.1
72.01631	0.7
72.99210	0.8
73.02838	11.1
74.53127	0.6
75.00811	0.7
78.50844	0.4
78.95795	7.3
79.95642	2.0
80.96406	4.7
81.03366	1.6
83.01265	3.5
83.04944	0.6
85.02847	9.1
87.00793	1.6
87.04416	12.0
88.98749	0.6
89.02341	2.5
92.55124	0.4
94.97993	1.9
95.01289	4.2
96.95927	1.8
96.96866	3.1
97.02879	1.8
97.06468	0.5
98.19872	0.7
99.00797	2.3
99.04425	0.5
101.02354	13.9
107.07118	0.5
108.02090	0.9
109.02896	0.7
110.00060	0.6
111.00803	1.3
111.08113	0.8
113.02363	13.5
113.09650	0.9
121.02898	1.7
123.00805	52.9
123.04411	1.0
124.01595	70.7
125.02367	1.6
125.09650	1.2
127.11199	3.6
136.05240	0.6
137.02383	2.2
137.09622	0.8
138.03169	22.1
139.00346	1.4
139.03954	38.9
139.11217	5.3
140.04285	1.5
143.03481	1.6
143.10797	0.6
149.02405	1.4
151.03961	1.0
151.11266	1.6
152.99550	6.5
153.01866	0.7
153.12837	1.1
155.10744	0.7
157.12332	1.3
159.02951	2.0
160.98851	0.5
161.04503	27.3
164.98549	0.6
165.09305	0.5
166.02675	0.8
167.10760	0.6
167.14377	1.3
169.12306	2.6
171.10178	1.2
171.13852	7.0
179.10768	0.8
181.05011	2.8
193.05009	0.8
197.11877	1.1
199.13445	0.7
200.14182	1.5
201.14937	9.4
205.03503	0.9
207.10240	0.6
209.11852	1.7
211.13232	0.6
221.11674	0.6
223.00160	0.6
225.00795	1.3
225.11488	0.9
227.13013	0.8
229.18207	1.3
241.01161	3.3
253.21808	0.8
267.23380	1.0
282.18765	0.5
293.25089	0.7
297.24484	1.9
301.09363	41.1
302.09689	3.0
311.25980	11.2
312.26154	0.8
313.27585	16.8
314.27826	1.4
315.04871	1.3
339.25439	10.4
340.25729	0.7
357.26550	100.0
358.26886	10.7
358.31076	0.8
381.26590	5.6
393.26526	1.8
399.27594	1.0
411.27585	1.1
423.27777	2.7
424.28195	0.6
453.28610	1.6
471.15231	0.7
501.30927	2.3
555.18719	1.6
623.23877	0.7
641.26379	4.9
641.35608	22.1
642.26050	1.1
642.28485	0.7
642.35883	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	641.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91927	1.3
55.01788	1.5
57.03341	9.0
59.01258	5.7
61.98726	9.6
71.01271	27.1
71.04910	15.1
71.54037	1.9
73.02851	5.3
75.00797	1.5
78.95795	3.9
79.95628	1.3
80.96420	3.3
83.01289	2.4
83.04915	1.9
85.02849	8.8
89.02337	3.5
95.01292	2.6
96.95926	5.9
97.02885	1.6
97.06504	2.9
99.00806	2.8
99.08018	1.7
101.02357	11.4
109.02897	1.7
111.00778	1.7
113.02357	11.4
113.09650	1.6
120.24000	1.4
121.02854	2.0
123.00799	55.6
124.01593	77.3
125.02451	2.9
135.04442	1.3
136.05249	17.4
137.02391	3.3
138.03175	15.6
139.00346	2.3
139.03944	44.7
139.11250	4.0
141.09120	1.4
143.03410	3.3
149.06041	3.7
150.06816	4.3
151.04002	2.0
152.99527	3.0
153.01884	1.5
153.12816	7.0
155.10733	2.8
157.12294	16.7
159.02989	2.5
161.04494	25.4
164.08365	1.4
165.09175	21.7
166.02612	1.4
171.10239	2.1
171.13847	9.8
181.05084	2.1
203.84628	1.4
207.10408	1.6
209.11784	1.3
225.00853	1.4
225.11450	3.2
227.03499	2.8
255.03169	6.9
281.02188	1.5
284.03348	11.2
285.03723	1.6
299.05664	13.9
300.06003	1.7
301.09335	35.3
302.09650	3.2
313.27573	14.2
314.28033	3.0
330.99170	1.2
339.25418	4.3
357.26550	100.0
358.26904	12.0
381.26526	5.2
411.27850	1.8
423.27158	2.1
453.28806	1.7
462.13940	1.3
479.33957	58.0
480.34314	8.2
501.30710	2.3
641.25586	3.4
641.35693	24.7
642.35565	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	641.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71081	0.5
59.01270	3.1
61.98716	8.6
63.96126	1.2
71.00894	0.7
71.01275	9.6
71.53779	0.4
71.54222	0.6
72.48776	0.5
72.99173	0.5
73.02830	1.8
78.95793	0.8
78.98492	5.3
79.81063	0.5
79.95620	10.2
80.96411	58.0
81.03339	1.1
82.86761	0.4
83.01279	0.5
83.04882	0.5
85.02866	2.6
87.00763	3.3
89.02344	0.6
94.97987	12.9
95.01306	0.5
96.95915	3.3
97.02846	1.5
99.00790	0.6
101.02377	3.0
106.98009	2.6
109.02884	0.7
113.02355	1.0
122.97504	4.8
123.00832	0.6
123.04420	0.9
124.01501	0.5
125.02390	4.4
127.03895	1.0
134.97517	4.2
135.04431	0.5
136.05229	4.8
136.99066	1.3
137.02397	0.7
138.03096	0.6
148.99088	5.2
149.05991	0.9
152.98563	6.8
152.99666	0.8
160.01538	0.5
161.04552	0.9
163.03996	0.5
164.98589	11.1
165.09142	2.1
167.00096	0.6
167.03447	1.0
171.10286	0.9
182.99626	3.2
188.98512	0.5
195.10318	1.0
206.99672	3.4
207.10175	0.6
209.11783	1.5
225.00755	22.5
243.01836	2.1
299.04480	3.1
303.08963	2.7
313.03635	0.9
317.05524	0.6
329.06711	0.9
341.23520	1.0
479.33978	10.6
480.34079	1.2
497.59729	0.6
527.18085	0.7
623.23962	0.6
641.28583	100.0
642.28943	17.9
642.37653	0.4
654.75494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.6
59.01258	1.9
60.60135	0.4
61.98724	4.3
62.03915	0.4
63.64735	0.4
63.96129	0.8
66.97997	0.4
69.03345	1.0
71.00897	0.6
71.01272	7.7
71.52775	0.7
72.99200	0.7
73.02843	1.7
75.00782	0.4
78.95786	0.8
78.98482	5.6
79.95627	12.6
80.96413	60.5
81.03343	1.2
83.01277	0.8
84.01997	0.5
85.02857	2.9
86.04062	0.4
87.00764	2.4
88.69023	0.4
88.98711	1.7
89.02341	0.5
94.97991	14.6
96.95925	2.6
97.02860	1.6
97.06445	0.5
99.00797	0.8
101.02354	3.7
106.97994	2.6
108.02077	0.5
109.02835	0.7
113.02338	1.0
116.92767	0.6
121.02863	0.8
122.97516	5.7
123.00826	0.6
123.04460	0.5
125.02371	4.1
127.03980	0.5
134.97523	3.9
136.99069	1.5
137.02353	0.7
138.03192	0.7
139.03835	0.6
148.99086	5.4
151.00221	0.4
152.98576	6.0
152.99667	0.5
153.14093	0.4
163.03896	0.4
164.98593	9.8
164.99998	0.5
165.01828	0.6
171.10185	1.0
174.48398	0.5
181.04999	0.5
182.99673	3.2
192.65285	0.4
193.12350	0.6
206.99649	2.8
209.11839	0.5
211.06013	0.5
225.00758	19.5
225.11322	0.7
225.14948	0.6
226.01126	0.6
243.01750	2.3
243.15819	0.5
281.07034	0.4
299.04535	2.6
300.02716	0.5
315.05151	0.8
323.28900	0.4
329.02994	0.6
341.23651	0.6
345.06021	0.5
471.15277	0.7
479.34064	0.7
571.22113	0.4
572.98718	0.4
623.25403	0.7
641.28632	100.0
642.29004	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	639.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.6
58.00486	2.3
59.01267	47.0
61.62291	0.8
61.98703	0.8
69.03355	0.9
71.01272	39.8
71.45515	1.6
71.45885	1.1
72.99203	2.2
73.02847	1.6
78.95796	1.4
80.96413	5.9
83.01286	3.6
85.02848	7.3
87.00774	9.6
89.02337	44.2
94.97958	1.9
95.01283	2.6
97.02895	1.1
99.00793	1.5
99.43752	0.9
101.02353	22.0
113.02364	18.0
119.03421	18.0
125.02383	1.4
129.01918	1.0
130.35281	0.8
131.03423	2.5
141.01830	1.1
143.03455	6.7
149.04495	2.0
159.02901	1.1
161.04497	7.4
163.89075	0.8
179.05574	18.9
225.00856	1.4
255.23337	100.0
256.23715	8.9
269.24991	7.3
297.24435	3.3
323.09912	33.1
324.10236	1.8
341.10980	53.3
342.11349	3.0
555.28436	6.5
557.28998	5.1
579.34064	32.6
580.34247	6.4
581.29907	1.2
638.41754	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37761	1.4
58.00156	1.2
59.01266	1.9
59.33395	1.7
61.86379	1.4
61.98714	1.7
62.54372	1.3
68.15451	1.4
69.90788	1.2
71.55354	1.9
74.96570	1.3
80.40356	1.2
84.10318	1.3
97.06507	1.9
125.09669	3.6
146.02451	2.3
163.11209	4.3
167.10756	2.0
181.12292	1.6
185.11858	2.0
204.82138	1.3
209.11798	4.5
245.19321	2.6
249.22287	4.4
289.18222	2.4
293.21307	52.4
294.21698	6.2
309.20874	1.6
311.22360	100.0
312.22769	9.0
411.25626	2.8
637.32867	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	1.2
58.81939	0.7
59.01256	1.0
67.50211	1.0
69.03342	1.4
71.01268	1.2
71.62157	1.2
71.62525	0.7
73.02839	1.6
73.67619	0.6
78.95795	0.9
80.02565	0.9
80.96413	8.1
83.04922	1.1
94.97983	1.5
97.06502	2.2
98.03645	0.9
99.08115	0.9
112.05223	1.0
113.09624	1.3
115.07529	1.8
116.92762	4.3
122.97475	1.0
125.06028	0.9
125.09647	1.4
127.07574	2.4
127.11143	1.0
129.09145	13.2
141.09164	6.7
143.07079	1.0
145.02919	1.3
148.99115	1.4
150.12386	0.8
153.12749	0.9
155.10724	12.4
156.11031	0.9
163.11209	1.2
164.98563	2.1
165.12816	5.3
167.10799	1.0
171.10239	10.1
177.40211	0.7
181.12270	1.7
185.11806	26.3
193.12344	1.0
193.15927	1.6
197.11823	25.3
198.12125	1.8
207.10341	1.2
209.11787	4.9
225.00766	3.1
247.20842	5.5
273.18637	1.3
281.21445	0.8
291.19757	35.3
292.20135	3.1
299.04590	1.4
307.19217	1.7
309.20792	57.8
310.21133	6.8
325.20294	0.9
327.21854	100.0
328.22217	11.5
465.32330	1.9
555.28601	20.4
556.29144	3.0
602.42554	0.9
619.42755	2.0
637.43396	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	639.1588
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
59.01254	0.7
59.69407	0.3
60.64772	0.3
61.98724	0.4
63.02285	0.6
65.00225	1.1
68.16248	0.4
71.55914	0.5
72.99223	0.5
75.00771	1.0
83.01277	0.3
85.02847	0.4
87.00774	0.3
87.61018	0.3
88.98692	0.4
96.95932	0.8
101.02328	0.6
107.01323	1.3
109.02909	0.4
114.42566	0.3
115.00279	1.0
116.92773	0.8
124.01608	1.0
125.02390	0.9
135.00835	0.4
135.02884	0.4
136.01505	0.3
137.02365	0.4
143.04912	0.5
151.00320	8.0
151.03987	0.6
152.00989	0.4
152.31718	0.4
157.02905	0.7
163.00346	2.7
167.03464	0.8
169.01297	0.4
169.12343	0.4
171.04498	0.9
171.10214	0.8
173.02426	0.5
175.02469	1.4
175.03827	0.4
178.99828	5.1
187.03970	1.6
189.01987	0.5
197.11818	1.4
199.03996	1.6
201.01907	0.6
203.03510	5.3
204.03981	0.4
207.28363	0.4
213.02130	0.4
214.02750	0.5
214.91722	0.3
215.03514	4.2
217.01324	0.5
219.03036	0.4
227.03433	0.8
231.03032	4.9
232.03494	0.5
241.01601	0.5
242.02330	1.6
243.03015	7.5
244.03470	0.5
255.02931	0.6
257.00989	1.4
258.01794	0.6
259.02548	13.8
260.02957	1.0
269.01077	0.7
270.01715	2.6
271.02542	19.2
272.03015	2.4
285.00616	0.8
285.04132	1.8
285.13370	0.6
286.01337	1.9
287.02042	27.1
288.02426	2.5
299.01785	0.5
300.02905	1.6
301.03485	3.1
302.04318	0.9
303.05231	0.5
313.03638	0.5
315.01547	57.3
316.02185	18.1
317.02643	1.0
328.02341	0.7
329.03085	0.8
330.03882	64.0
331.04599	35.2
332.05017	2.6
343.04611	5.7
344.05176	0.9
373.05930	0.4
519.20679	0.5
521.22455	3.3
639.15814	100.0
640.16150	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	637.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.5
57.03331	4.9
58.92872	1.0
59.01266	4.5
61.98720	5.3
66.23428	1.0
67.01769	1.3
69.03326	2.3
71.01300	1.3
71.04935	1.2
71.55562	2.1
75.13241	1.0
80.02571	5.0
81.03339	6.6
81.90714	1.0
83.01287	10.2
83.04916	5.3
84.02053	1.5
91.05433	1.4
95.04912	5.8
96.95911	1.9
97.02856	5.3
97.06499	10.4
98.03676	1.4
106.04141	2.3
107.04936	1.6
109.02866	1.8
109.06509	3.0
110.03624	1.6
111.08080	1.8
118.92525	1.5
119.03401	1.0
119.08599	1.5
119.94600	4.4
121.02866	12.5
121.06517	3.6
123.04446	11.5
123.08064	4.8
125.09650	21.8
135.08092	5.5
136.05267	1.2
137.06033	1.5
137.09653	10.9
138.09941	1.6
139.11224	1.3
141.12785	3.5
142.02643	3.0
145.10213	1.2
149.06035	2.1
149.09660	1.1
151.11258	1.5
161.09641	2.0
162.10480	1.7
163.07571	2.8
163.11240	22.8
164.08391	0.9
164.11623	1.3
165.09085	2.6
165.12791	6.3
167.10738	2.6
171.10172	2.2
175.07405	5.7
175.11230	1.3
177.09259	1.2
177.12756	2.1
179.10730	2.3
181.12305	4.4
185.11812	15.3
189.12894	1.3
191.10817	5.9
191.14391	17.9
192.14642	1.4
193.08392	1.0
201.09059	1.4
203.10643	1.4
203.14468	1.1
207.10220	15.6
209.11824	90.9
210.12140	6.2
211.13496	1.9
217.15979	3.1
219.06346	3.2
221.11755	1.6
225.11331	9.5
226.11964	1.3
227.18091	1.4
231.10051	94.1
232.10416	6.1
233.11685	7.0
235.09517	1.9
243.17784	1.2
245.19145	34.4
246.19460	2.2
247.09544	2.4
247.27597	1.0
249.11143	2.3
259.13199	2.2
261.18695	1.4
263.20251	2.6
265.10648	1.5
271.17035	3.2
283.16812	2.3
285.18433	5.8
289.18173	100.0
290.18472	9.0
291.19589	2.7
307.19238	88.9
308.19574	10.0
311.16269	1.6
317.17361	14.6
318.17618	1.6
329.17413	36.0
330.17737	5.1
361.16534	1.1
471.15106	1.3
539.30225	7.3
637.37482	30.3
638.37781	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	637.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	30.8
61.98723	2.3
68.33220	0.9
70.04152	5.2
70.96933	1.0
71.01273	71.5
72.99225	1.5
73.02838	3.0
80.02584	1.7
81.03357	3.0
82.89970	0.9
83.04914	3.0
84.02057	1.2
85.02850	4.6
87.00731	1.1
89.02341	8.9
94.48239	1.0
96.95889	1.4
97.02863	7.3
97.06494	4.1
99.00774	3.1
101.02346	12.4
109.06508	35.4
110.03661	1.8
110.06811	1.2
113.02375	4.1
118.02919	1.9
119.03374	2.6
120.03895	1.0
121.02892	1.8
121.06514	2.1
125.02362	1.2
125.09655	2.6
129.71712	0.9
135.00810	1.2
135.08118	3.3
142.02640	2.3
146.02434	7.8
147.02859	2.4
155.10733	1.5
156.57677	1.1
161.04510	3.8
161.09682	2.9
162.01918	3.2
163.02315	1.3
163.11253	20.1
164.11649	1.4
167.10806	1.3
171.10239	11.4
179.05617	1.4
181.12260	6.7
185.11867	3.2
189.09178	2.4
197.11865	1.2
199.09836	3.8
199.13293	1.4
201.11331	7.8
207.10263	100.0
208.10576	7.0
209.04541	1.7
209.11842	3.1
223.11174	1.3
225.11339	58.6
226.11642	3.6
235.08424	1.9
243.12411	3.0
253.09319	27.9
299.15198	1.2
401.23438	2.9
457.24411	1.2
461.14426	1.9
461.20438	22.1
462.21039	7.2
619.31476	2.8
637.32312	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	637.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90482	0.6
58.94163	0.6
61.98700	0.7
64.76794	0.7
65.90303	0.7
69.02949	0.7
70.91522	2.1
74.00099	0.6
78.95798	100.0
83.04913	1.6
96.96865	8.1
97.40483	0.7
127.11242	1.1
131.41641	0.7
134.98434	1.5
136.22151	0.7
149.54987	0.7
152.99535	57.5
153.99872	1.4
158.51089	0.9
162.01862	0.7
163.11234	1.3
171.10243	1.0
191.10753	1.0
201.11314	13.3
209.11836	24.7
210.12170	1.5
227.12930	2.7
255.23344	77.1
256.23676	6.7
291.19836	0.8
293.21350	1.0
309.20755	2.9
311.22311	4.1
321.50739	0.9
336.60870	0.8
343.24805	1.0
363.12338	3.6
381.13196	4.3
391.22665	13.3
392.22989	1.2
399.14090	0.8
409.23660	5.6
593.34564	3.6
619.36322	28.7
620.36865	5.3
636.64587	0.8
637.37384	50.0
638.37836	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	637.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.6
59.01276	5.4
61.98722	2.5
67.74245	0.9
69.03324	1.1
71.01272	2.8
71.52801	1.1
71.53197	1.7
73.79141	1.0
80.02597	1.4
81.03336	2.1
89.02327	1.5
93.03355	3.0
95.01287	2.0
95.04947	2.3
97.02863	2.9
97.06499	2.5
99.86665	1.0
101.02388	1.2
107.04959	1.4
109.02834	1.8
109.06519	2.0
110.03644	1.1
121.02881	79.2
121.06522	2.8
122.03197	2.7
123.04438	6.2
123.08089	1.4
125.09654	6.0
126.30484	1.0
129.20047	1.0
135.08104	3.1
137.09648	3.8
139.11183	2.3
141.12787	1.7
146.02405	3.4
149.05997	2.5
151.07596	1.2
153.05435	1.7
161.09541	1.2
162.01901	3.0
163.11249	6.7
164.08298	1.2
165.01866	3.8
179.10684	5.5
181.06651	1.9
181.12268	1.8
185.11795	9.4
191.14398	8.9
207.08124	1.4
207.10094	28.6
208.10352	1.4
209.04559	77.0
209.11876	1.3
210.04926	5.6
210.08557	1.0
217.15971	2.5
225.05615	1.5
225.11299	7.1
245.07988	2.7
245.19157	17.1
246.19472	2.2
247.09555	8.3
248.10358	1.6
271.17221	1.9
289.18179	77.7
290.18585	7.1
296.65335	1.2
301.17249	1.5
307.19235	100.0
308.19620	10.9
309.20895	2.6
311.16312	2.1
322.77145	1.0
329.17429	88.4
330.17847	8.7
345.13910	1.2
373.14691	1.4
401.22556	1.3
427.10437	1.7
472.85754	1.4
542.91418	1.2
619.31104	2.0
637.16223	5.4
637.37775	20.8
638.25812	2.3
638.37500	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	637.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
61.98698	1.6
67.04036	0.4
69.24745	0.8
69.25141	4.0
73.02818	0.6
80.93058	0.4
84.73931	0.4
85.02837	0.5
88.98672	0.6
89.02300	0.9
96.95907	0.8
101.02386	1.8
113.02367	0.5
116.92769	3.9
117.03374	8.5
118.02906	0.4
119.04920	1.8
121.02823	0.4
125.02346	0.7
132.02098	2.8
133.02841	1.1
134.03671	1.9
135.04456	1.0
145.02899	17.4
145.04074	0.8
146.02348	2.3
146.03372	0.5
150.67500	0.4
151.00275	0.8
160.01611	9.2
161.02396	3.4
163.03935	1.1
171.10168	0.6
175.03961	7.8
179.03481	0.9
183.04422	1.2
193.05009	0.8
199.04007	1.1
209.11728	0.6
211.03920	0.8
215.03427	0.9
221.04485	0.5
227.03505	25.2
228.03873	1.6
242.02248	3.9
243.03020	19.9
243.06825	0.4
244.03331	1.7
245.00995	0.8
253.09323	0.7
255.03033	40.6
256.03613	5.7
257.04608	5.7
258.05069	0.5
270.01788	6.1
271.02539	24.2
272.02881	1.6
283.02539	13.7
284.03333	43.6
285.04025	17.5
286.04858	4.3
295.08188	0.5
298.01105	1.1
298.04892	2.3
299.02115	12.6
299.05618	78.9
300.02496	1.8
300.06024	7.2
307.08267	4.0
313.03558	5.6
313.07266	5.1
314.04391	46.4
315.04840	6.1
323.07803	9.5
324.07950	0.5
329.06738	100.0
330.07062	9.6
337.09399	2.1
341.23312	2.1
622.13702	1.7
637.15790	34.1
637.38245	1.6
638.16235	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	636.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82798	1.0
58.00507	1.1
59.01274	11.2
60.87971	1.3
61.87563	1.1
61.98713	4.8
67.01758	1.2
71.01271	9.7
71.53089	1.6
73.02860	1.4
76.01807	2.2
81.03363	1.9
85.02834	1.6
87.00749	1.9
89.02356	6.3
95.01255	1.3
96.95895	1.1
101.02351	3.6
107.01304	1.6
109.02862	2.3
109.06510	1.9
113.02348	2.6
115.97828	1.2
118.02911	14.9
119.03338	2.3
121.02879	3.4
123.00793	2.4
123.04485	1.4
125.09641	3.1
133.01530	1.1
135.00835	12.9
136.01617	1.4
137.02357	1.4
141.09146	1.4
146.02434	69.8
147.03233	43.2
148.03900	4.8
153.01865	3.3
161.01166	7.7
161.04546	1.1
162.01936	100.0
163.02271	3.2
171.10249	2.2
176.03448	1.9
184.04041	1.6
207.10249	4.8
209.11865	3.4
210.12219	1.7
225.11415	2.9
231.14059	1.4
237.04085	1.7
264.05264	1.7
283.13412	1.6
295.13736	1.3
297.06366	3.1
301.14420	3.0
307.19107	1.3
311.22406	3.0
313.14520	3.2
324.07233	4.0
326.13910	1.3
328.15747	6.2
329.14139	2.2
340.15567	5.3
356.15265	6.5
383.22412	2.5
420.21973	5.0
429.22968	2.1
438.22980	39.8
439.23465	6.8
456.23856	10.8
457.24142	1.4
619.31500	1.6
636.30450	39.8
637.31519	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	636.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02866	1.1
55.17706	1.1
59.01266	13.9
61.98706	4.8
71.01270	13.9
71.53784	1.4
72.99188	1.4
73.02815	1.7
76.01821	2.4
80.96420	2.3
83.01289	1.3
83.04912	1.4
85.02831	3.3
87.00778	2.0
88.98694	2.7
89.02350	6.8
95.01274	2.6
97.06497	2.4
99.00727	1.1
100.44540	1.1
101.02347	5.5
109.02856	1.8
109.06470	2.9
113.02335	4.2
115.05392	1.2
118.02910	18.3
118.03679	2.3
119.03361	4.0
120.81364	1.2
121.02906	2.8
123.00803	2.1
125.02394	1.8
125.09654	5.8
135.00798	11.1
136.01549	1.1
137.02435	1.8
138.16257	1.2
141.09113	1.2
146.02422	79.7
147.03218	36.2
148.03880	3.7
153.01836	4.3
153.05661	1.1
161.01096	5.8
161.04471	1.8
162.01923	100.0
163.02245	5.2
171.10220	3.0
179.05560	1.7
179.97171	1.3
182.06219	1.4
187.14912	1.4
201.41475	1.1
207.10205	4.8
209.11798	5.2
213.12770	1.9
225.11298	2.9
231.13905	3.4
237.04068	1.4
253.09148	2.0
297.06268	4.9
301.14432	2.0
309.20978	1.7
310.14197	1.1
311.22394	2.5
313.14551	1.9
320.34106	1.2
324.07220	3.3
328.15619	3.8
329.14099	1.4
339.15106	1.4
340.15640	3.8
356.15262	6.1
383.22223	4.7
393.20294	1.3
401.23502	7.1
420.21790	5.3
429.22784	3.3
438.22919	31.9
439.23315	4.2
456.23993	11.1
457.24567	2.1
461.20499	1.8
498.35526	1.3
619.31470	32.7
634.65277	1.5
636.30469	38.0
637.31885	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	635.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71358	0.6
57.03353	1.6
59.01283	2.5
61.98724	0.7
63.43474	0.6
69.03357	1.5
70.69018	1.8
71.01297	2.5
71.04929	1.3
73.02847	1.4
78.95808	1.0
80.02596	1.8
81.03388	1.6
83.04920	4.8
84.02084	1.7
85.02879	1.1
95.04971	2.4
96.95955	0.9
97.06506	3.3
98.03651	1.1
99.08089	2.3
109.06502	0.9
111.08098	1.1
112.05230	2.0
113.09654	2.3
115.07572	4.1
121.02929	0.7
121.34576	0.6
121.65546	0.7
123.04489	1.9
123.08099	1.6
125.06004	1.1
125.09653	4.7
127.07574	10.8
127.08453	0.8
127.11259	1.5
129.09207	2.3
135.08148	1.3
137.09702	1.1
139.07602	2.6
139.11230	1.3
141.09192	2.4
141.12798	0.9
143.07129	1.5
151.11304	1.0
153.09155	3.8
153.12720	0.7
155.10713	21.7
156.11076	1.0
163.11255	6.2
165.12810	10.8
167.10756	1.6
167.14336	0.9
171.10236	18.5
171.11656	1.2
172.10611	1.1
178.09967	3.2
179.10753	1.2
179.14450	0.7
180.11594	0.8
181.12350	4.0
183.09956	0.6
183.13956	1.1
185.11801	16.2
189.12895	0.7
191.10754	1.9
191.14371	1.2
193.12349	1.5
193.15991	2.7
197.11818	19.4
198.12189	0.9
207.10266	1.9
209.11826	60.4
210.12123	3.2
211.13396	1.8
225.11496	1.7
227.12883	1.3
236.10591	1.1
237.11435	0.9
238.12122	3.6
245.19148	3.2
247.20708	8.4
255.12584	0.8
256.13229	1.8
263.20282	1.2
265.21790	1.1
273.18716	2.5
281.21051	1.4
289.18140	8.1
291.19730	59.2
292.20062	5.0
307.19226	79.1
308.19531	7.7
309.20786	100.0
310.21100	7.3
325.20267	81.6
326.20667	6.2
327.21844	46.7
328.22095	3.3
445.30017	1.4
463.30774	1.8
472.24011	0.6
555.41052	0.7
581.38824	1.4
599.39471	2.5
617.40741	1.9
635.41913	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	635.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	1.8
59.01295	1.7
61.98734	0.5
66.60152	0.4
69.03346	0.7
70.69095	1.2
71.01300	0.8
71.04940	1.0
73.02837	2.0
78.95832	1.0
80.02600	0.4
81.03388	1.1
83.04950	1.3
95.04959	1.1
97.02876	1.0
97.06503	1.9
98.03662	0.7
99.04482	0.6
99.08078	1.5
106.04154	0.4
109.02882	0.4
109.06535	1.1
111.08061	0.9
112.05260	0.7
113.09670	0.7
115.07607	1.4
121.06569	0.7
123.04484	1.3
123.08126	1.5
125.06057	0.6
125.09659	4.7
127.07578	3.6
127.11259	0.8
129.09145	14.6
135.08098	2.0
137.09679	1.2
139.11200	0.5
141.05550	2.2
141.09152	8.4
141.12811	1.3
142.09473	0.4
145.36786	0.4
151.11201	1.0
153.09160	6.6
153.12830	1.0
155.10730	4.2
161.09705	0.5
163.11238	3.6
163.24693	0.4
165.09052	0.5
165.12782	1.9
166.21750	0.4
171.10234	12.5
172.10558	0.8
173.08173	1.1
177.12860	0.5
178.09944	0.7
179.10732	0.6
181.12329	1.4
185.11804	33.6
186.12102	1.8
191.14389	4.3
193.12341	0.7
197.11824	32.8
198.12177	1.7
199.13501	0.7
207.10309	1.6
209.11836	11.3
210.12267	0.6
211.13403	1.4
217.15926	0.7
225.11327	2.0
227.12897	0.9
238.12212	0.8
245.19141	8.2
246.19348	0.5
247.20842	1.0
255.12453	0.5
261.18561	0.5
265.18143	0.4
271.17145	0.8
273.18524	0.6
279.19849	0.7
287.16644	0.6
289.18176	32.4
290.18460	2.1
291.19717	8.6
292.20151	0.7
305.17798	1.3
307.19232	51.0
308.19571	3.9
309.20792	12.3
310.21051	0.9
323.18668	0.7
325.20276	23.6
326.20758	2.0
327.21841	100.0
328.22192	8.1
445.29779	1.3
463.30933	0.6
573.41815	0.6
599.39606	3.1
600.39941	0.4
617.40564	4.2
618.40814	0.7
635.41943	3.7
636.42023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	7.7
61.98419	1.6
61.98721	21.4
68.43112	1.0
69.28893	11.4
71.01269	4.2
72.99207	1.7
78.95792	1.8
79.67508	1.0
85.02855	2.3
87.00778	1.7
88.98695	3.4
89.02341	3.3
95.01295	1.0
96.95921	12.7
100.47863	1.1
101.02346	2.9
104.47572	1.0
113.02369	2.2
116.92798	2.0
121.02898	1.6
125.02360	3.4
125.09656	1.8
140.67621	1.0
145.02893	1.5
146.02411	4.4
146.03667	12.3
147.03189	2.4
147.71826	1.1
149.56357	1.0
153.01790	1.4
159.04436	3.6
160.05231	9.7
161.06053	1.3
162.01936	11.5
163.03918	1.2
171.03175	8.9
171.10222	12.4
172.05222	3.7
173.06035	3.4
184.04005	33.2
185.04689	5.7
185.06140	1.5
186.06821	1.4
187.07640	6.1
188.04649	1.8
197.04674	2.1
197.06239	1.3
198.05562	6.9
199.07527	1.4
201.11270	2.8
209.11781	5.7
211.04053	1.6
212.04730	1.3
213.09100	1.7
215.03522	1.6
225.05519	1.5
227.12987	1.4
229.05064	1.7
238.08803	1.5
239.09448	2.0
241.12379	7.7
242.13002	1.2
253.09200	1.2
267.10309	3.0
269.11880	3.4
271.02356	1.4
283.13412	5.3
285.11395	6.4
285.14783	1.8
287.12961	4.3
294.11481	1.2
301.14587	7.7
304.05600	1.6
309.20673	1.3
311.12622	3.2
312.12576	13.8
313.13242	17.6
314.13995	5.6
327.14816	1.2
328.15579	3.2
329.13907	2.0
340.12964	2.1
356.83057	1.0
358.14346	1.3
385.15259	3.1
391.19083	3.0
409.20386	6.2
427.21313	17.9
428.21933	2.4
445.22256	2.5
454.22449	100.0
455.22739	15.7
484.44125	1.3
499.56192	1.3
575.27124	1.5
635.32794	1.5
641.53558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99131	0.4
57.03343	3.1
59.01269	2.7
61.98739	0.7
69.03339	2.5
69.98286	2.4
71.01294	1.8
76.86516	0.4
77.35685	0.4
78.95806	1.6
80.02575	0.6
80.96424	1.9
81.03355	1.1
83.04935	1.7
84.02106	0.5
85.02850	8.0
95.04955	1.5
96.95934	1.9
97.02853	2.8
97.06480	3.9
98.19857	0.5
106.04177	0.6
109.06499	1.1
111.08055	0.6
112.05217	0.7
119.08579	0.5
119.39969	0.5
121.02955	0.6
123.04474	1.2
123.08062	2.0
125.05991	0.6
125.09650	4.1
127.11244	2.4
135.08109	1.8
136.08481	0.5
137.09641	3.9
141.01700	0.5
141.05544	2.2
141.09192	0.4
141.12801	0.7
148.08760	0.6
151.11220	0.5
152.99525	0.9
153.09163	7.0
153.12846	0.5
155.10738	1.4
163.11258	2.9
164.98682	0.5
165.12839	1.7
167.14421	0.8
170.14847	0.5
171.10233	32.5
172.10606	1.4
177.12753	1.1
177.32249	0.5
179.10814	1.1
181.12340	1.6
183.13939	3.2
184.14336	0.5
185.11826	4.9
191.14401	4.5
193.12326	1.1
195.13884	0.6
197.11748	2.1
201.11333	0.9
203.10797	0.5
207.10184	2.1
209.11798	6.2
211.13390	17.1
217.16109	0.7
219.13818	0.5
221.11833	3.5
225.00696	0.6
225.11285	2.7
227.12912	0.9
229.14459	10.4
230.14743	0.6
239.13046	1.6
243.17578	0.6
245.19125	11.1
246.19492	0.9
247.20627	0.5
263.20175	0.7
271.17184	1.1
279.19855	0.7
289.18188	35.2
290.18475	2.7
291.19690	2.8
302.40906	0.5
307.19229	64.8
308.19611	5.0
309.20709	1.4
325.20285	23.0
326.20633	1.9
327.21841	100.0
328.22156	7.9
445.29807	1.5
463.30737	1.0
573.42230	0.6
577.26764	2.9
599.39636	4.2
600.39679	0.7
617.40601	5.3
618.41199	0.8
635.41882	9.3
636.42041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.3
57.03332	1.2
58.00483	0.4
59.01263	1.5
59.33794	0.3
64.50199	0.3
69.03336	0.8
71.01285	1.7
71.01913	0.8
71.04900	1.1
72.02032	0.5
73.02829	0.6
73.65993	0.3
78.95821	0.4
80.02570	1.6
81.03362	1.6
83.04923	3.3
84.02067	1.6
85.02850	0.9
93.03316	0.4
95.04926	2.0
96.95914	0.3
97.02847	1.5
97.06490	1.8
99.04433	0.9
99.08060	1.3
107.04935	0.4
107.08616	0.3
108.02077	0.5
109.02852	0.6
109.06512	1.6
111.08062	0.7
112.05223	0.9
113.06091	0.3
113.09642	0.4
115.07571	1.2
121.02878	0.4
121.06512	0.8
123.04447	1.4
123.08087	1.4
125.06032	0.6
125.09648	5.5
127.07583	6.4
127.11174	0.4
135.08090	2.7
137.06070	0.4
137.09660	1.9
139.07593	1.7
139.11232	0.5
141.05524	2.7
141.09152	0.9
141.12787	0.9
145.02878	0.7
149.05920	0.4
149.09726	0.4
151.11208	0.6
152.99577	0.3
153.09158	8.7
154.09650	0.3
155.10750	2.0
159.08147	0.3
161.02861	0.3
163.07620	0.3
163.11259	5.6
165.09152	0.3
165.12843	2.0
171.10240	10.0
172.10628	0.7
175.11215	0.4
177.12891	0.4
178.09996	2.5
179.10704	0.8
181.08725	0.3
181.12320	1.2
185.11818	11.1
186.12131	0.5
187.09656	0.4
191.10736	1.3
191.14397	3.8
197.11827	10.1
198.12181	0.9
205.12413	0.3
207.10301	2.4
209.11833	42.6
210.12135	2.6
211.13388	0.8
217.15956	0.6
219.10158	0.4
219.13846	0.5
225.11354	2.0
227.12895	0.5
235.20689	0.3
236.10631	0.9
237.11336	0.6
238.12163	3.7
239.16504	0.5
243.12383	0.3
243.17491	0.4
245.19135	9.0
246.19421	0.9
247.17072	0.3
251.16594	0.4
253.10641	0.4
253.18176	0.4
255.12413	0.8
256.13184	1.8
261.18741	0.4
263.20236	0.8
271.17059	1.0
279.19806	1.1
281.21173	0.7
287.16544	0.4
289.18170	35.2
290.18384	2.8
297.20694	0.5
307.19226	100.0
308.19574	8.5
325.20279	73.4
326.20657	6.4
443.27966	0.8
461.29181	1.0
553.39172	0.4
579.36700	0.7
580.37494	0.4
597.37750	1.9
598.38318	0.4
615.39465	3.2
616.38745	0.5
633.40021	2.4
634.40289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.6
59.01271	8.6
61.98713	1.2
66.38681	0.4
67.58372	0.5
71.01269	6.5
71.11000	1.1
72.99211	1.1
74.76557	0.4
76.01826	1.4
80.96410	0.7
81.03364	1.1
82.82595	0.5
85.02859	2.0
86.37151	0.5
87.00773	0.8
87.65157	0.4
88.98708	2.4
89.02339	5.4
95.01287	1.0
97.06536	0.7
101.02364	2.4
105.37688	0.4
107.01318	1.6
107.04947	0.9
109.02869	1.8
113.02354	2.3
117.88522	0.5
118.02910	18.4
119.01330	0.5
119.03432	2.0
120.04449	0.5
121.02869	2.4
123.00794	1.5
125.02377	1.7
125.06020	0.6
125.09648	2.1
131.04916	0.5
132.04509	0.6
133.06505	0.7
135.00816	11.7
136.01585	1.4
137.02364	1.2
139.07587	1.1
142.73170	0.5
144.04448	0.5
146.02425	71.9
147.03217	39.8
147.04308	0.9
148.03996	5.3
153.01859	4.4
154.10324	0.4
158.03746	0.6
161.01120	5.6
161.04515	0.6
161.06073	0.6
162.01923	100.0
163.02303	3.0
163.03833	0.5
171.10240	0.9
172.05246	1.0
175.03979	0.7
176.03526	1.0
179.05632	1.4
186.06931	0.7
207.02959	0.6
224.07133	0.7
237.04013	1.3
238.08743	0.7
257.15570	0.6
264.05182	2.0
266.12024	0.7
283.13477	1.4
284.13095	0.9
291.16165	0.5
291.19531	0.6
297.06183	5.5
301.14563	4.5
303.15939	1.1
305.17688	0.7
307.19244	1.8
309.20938	2.6
310.14688	1.2
310.21204	0.7
310.74115	0.5
311.13000	0.8
311.22357	0.6
312.16159	1.6
313.14514	2.3
324.07291	3.7
325.08044	1.0
326.14178	0.7
327.14798	1.0
328.15637	4.4
329.14005	1.8
330.14377	0.5
331.47052	0.5
338.14117	0.6
339.14786	1.0
340.15689	3.2
355.14294	1.1
356.15128	7.7
357.15714	1.1
374.21072	0.6
408.21860	0.8
409.20309	1.8
418.20352	5.4
426.22931	0.7
427.21069	2.2
436.21378	36.7
437.21750	4.3
445.22614	0.6
454.22455	8.6
455.22955	1.5
634.28851	28.2
635.29144	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	633.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.2
61.98719	100.0
71.58665	0.3
78.95817	0.3
83.04907	0.2
115.07572	0.2
125.09651	0.4
152.04803	0.3
153.09030	0.2
155.10707	0.2
165.12767	0.2
171.10225	0.4
181.12251	0.2
185.11865	0.2
196.03752	0.2
197.11826	0.5
201.11320	0.3
209.11880	1.5
211.06171	0.6
225.11388	0.3
227.12872	0.2
247.08542	0.2
253.21759	0.2
291.19693	1.0
305.17667	1.6
307.19189	0.5
309.20767	1.8
319.75742	0.2
323.18887	0.3
341.23480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.5
58.00479	1.8
59.01265	31.4
61.98710	4.0
69.03348	2.2
71.01273	33.9
71.24072	1.6
72.99203	2.0
73.02839	4.8
85.02850	6.1
87.00776	2.9
88.98712	1.5
89.01825	1.7
89.02339	19.4
95.01294	2.8
96.95878	1.1
97.02859	2.9
97.06478	1.8
101.02355	15.3
104.50531	0.8
113.02361	9.0
113.09630	3.2
115.07606	1.3
119.03436	6.8
123.00790	3.0
123.08020	0.9
125.02366	17.6
125.09650	1.2
131.03432	1.0
135.04474	0.9
139.49228	0.8
141.01840	1.3
141.09154	1.2
143.03426	2.4
146.02431	6.0
161.04482	2.3
165.12811	5.0
167.10788	1.2
167.14400	1.7
168.34869	0.8
171.10321	2.2
171.63229	0.9
175.07591	0.9
179.05560	3.2
179.14316	0.9
181.12312	3.7
183.13892	1.1
191.17020	1.0
193.12302	2.4
195.13898	1.1
205.12344	1.5
207.10229	1.5
211.13382	3.2
221.15631	1.3
240.13603	1.6
241.14456	1.2
247.20663	4.2
271.20859	2.6
273.18723	3.3
281.21289	0.9
291.19730	45.2
292.20200	4.3
293.21292	7.6
307.19339	1.9
309.20801	100.0
310.21179	8.9
315.19717	9.2
327.19482	1.1
333.20734	9.8
334.21286	1.2
341.11179	1.4
345.20667	4.5
356.15308	1.4
363.21948	4.8
381.22934	12.7
382.23700	1.3
399.21808	2.3
411.23911	11.2
412.24472	1.3
436.21237	2.2
453.25146	7.8
454.22717	3.1
471.26120	16.3
472.26208	2.2
601.40967	1.0
633.31464	96.1
634.31799	16.8
647.88251	1.1
648.32172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35671	0.2
56.59824	0.2
58.02867	5.0
58.99492	0.2
59.01273	0.2
61.95535	0.2
61.98713	0.9
61.99018	0.2
64.81427	0.2
66.03366	0.6
69.99190	0.2
70.02885	0.8
70.69373	0.6
71.01279	0.7
72.00792	0.7
74.02364	11.3
76.86504	0.2
78.95799	0.8
81.04482	0.5
82.02881	1.1
84.04453	0.5
85.02843	0.2
86.02383	4.0
86.06006	0.7
86.98994	1.0
87.05534	2.8
88.03919	0.4
90.00085	1.3
95.02407	0.4
96.95918	8.0
96.96905	0.7
97.03973	1.2
99.01970	0.3
99.05553	9.6
100.00275	0.3
101.02354	0.5
101.07140	1.3
102.05511	1.7
107.06027	0.3
109.03997	1.0
109.07629	0.6
111.05564	0.8
112.03975	1.2
116.01665	0.7
119.89839	0.2
120.01173	0.5
120.05723	0.4
123.05552	0.8
124.03950	0.6
124.43733	0.2
125.02511	0.4
125.03483	1.5
126.01907	0.6
127.05072	1.6
127.08629	0.3
128.03468	26.5
129.03833	0.7
129.99605	0.5
131.04553	0.6
135.05554	2.5
135.08096	1.7
136.08476	0.4
137.07085	0.7
141.06641	2.3
143.04567	36.8
144.04907	0.9
145.06119	1.6
146.04535	3.1
149.07181	0.3
153.06645	3.2
155.08220	0.5
160.00697	10.2
161.01154	0.3
166.09853	1.6
167.04593	3.2
167.08217	1.3
168.05031	0.2
170.03226	0.4
171.04080	0.3
171.07756	0.5
171.10233	0.6
177.03374	3.1
179.04599	7.5
180.04979	0.5
181.06189	1.1
184.10864	0.5
185.05652	0.9
192.07764	0.9
197.05737	1.1
198.08801	0.5
199.07269	0.3
206.44559	0.2
209.11900	0.5
210.08861	8.3
211.09244	0.5
213.03413	0.4
228.09900	0.4
231.04420	0.3
242.07870	0.8
254.07887	7.2
255.08273	0.3
265.10861	0.2
272.08951	13.3
273.09189	0.9
288.03589	0.4
288.06680	6.0
288.09872	0.4
306.07742	100.0
307.08026	6.8
368.75388	0.2
477.30688	0.6
478.31152	0.8
550.27435	0.3
632.40698	0.5
633.30682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03374	1.2
58.99396	1.1
59.01267	2.1
59.17171	1.4
61.98732	1.6
69.51844	10.5
78.95779	2.6
80.02595	2.0
81.03333	1.9
83.04910	6.9
85.02843	1.4
85.39028	1.2
94.16613	1.3
95.04945	2.1
96.95904	2.4
97.02854	1.9
97.06499	4.0
98.20522	2.6
107.04943	8.8
109.06507	3.7
121.02903	1.4
123.04444	1.8
123.08096	2.6
125.05991	2.8
125.09653	10.8
127.07590	2.8
130.76463	1.2
135.08110	6.6
137.05957	1.2
145.02960	1.2
147.04459	1.4
151.10963	1.4
152.99522	2.1
153.09175	10.1
163.11264	6.7
165.12790	3.6
171.10225	4.6
176.08374	2.6
178.09947	3.4
179.10696	2.0
181.12317	1.5
185.11816	10.0
186.12259	1.2
190.10167	1.2
191.10771	2.5
191.14381	2.5
197.11803	11.4
207.10248	6.8
209.11823	83.5
210.12167	6.0
211.13445	1.8
225.11348	9.3
227.12924	1.8
236.10468	2.9
243.17639	2.8
245.19104	2.6
261.18689	5.5
263.16611	1.4
277.17972	1.5
279.19550	2.9
287.16583	7.4
289.18185	13.2
305.17679	100.0
306.18033	7.2
307.19238	24.9
308.19479	1.8
323.18723	59.0
324.19052	6.3
325.20358	16.6
425.27036	1.3
443.15930	1.2
443.28256	1.5
460.90823	1.2
499.30710	2.9
517.31085	1.5
530.94965	1.6
577.35437	1.9
595.36597	7.2
596.36926	1.6
613.37439	18.4
614.38171	3.0
631.38635	11.4
632.38977	2.5
643.47821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19667	1.2
57.03349	2.2
59.01271	4.0
61.98723	1.7
69.91325	7.7
78.95785	2.8
80.02579	2.8
81.03346	3.2
83.04923	7.1
95.04942	2.9
96.95927	1.9
97.02892	3.3
97.06504	3.6
98.20457	1.9
100.53152	1.3
107.04961	8.4
109.06528	5.3
121.02893	2.3
123.00782	1.6
123.04441	2.7
123.08131	2.0
125.02396	1.7
125.06015	2.8
125.09656	12.2
135.08116	8.5
137.09668	1.5
141.05536	3.2
141.09167	1.5
151.11244	1.4
152.99483	2.1
153.09167	16.2
163.11247	9.5
165.12810	4.9
171.10242	13.0
171.30791	1.2
176.08315	2.9
178.09982	4.4
179.10738	1.6
181.12288	3.0
185.11824	9.7
187.09743	1.4
191.10817	1.9
191.14423	8.4
197.11815	14.0
207.10313	13.7
209.11832	81.5
210.12242	5.0
211.13394	1.8
225.11346	13.1
227.13007	2.3
227.23787	1.4
236.10587	4.9
243.17499	1.8
245.15471	1.7
245.19142	16.6
251.13124	1.4
261.18625	3.7
271.17093	2.4
279.19873	3.2
287.16669	7.9
289.18164	67.3
290.18536	4.6
305.17657	100.0
306.18036	7.6
307.19238	92.6
308.19553	6.8
323.18723	34.8
324.18976	2.0
325.20261	32.1
326.20636	3.0
348.83823	1.6
441.26523	1.8
577.35168	2.6
595.36627	2.5
613.37439	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	630.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11097	0.1
58.02867	4.9
58.99506	0.1
59.01238	0.1
61.98724	0.3
66.03381	0.5
67.02913	0.1
70.02863	0.7
70.72787	0.2
70.73119	0.2
71.01267	0.3
72.00795	0.7
73.54116	0.1
74.02364	11.6
78.95804	0.5
80.03688	0.2
81.04475	0.6
82.02873	1.1
82.06546	0.2
84.04448	0.6
85.02846	0.1
85.03973	0.3
86.02375	3.9
86.06016	0.7
86.98994	1.2
87.05540	2.6
88.03953	0.4
90.00079	1.2
95.02409	0.2
96.04462	0.4
96.95927	0.3
97.03984	1.0
98.05997	0.1
99.05545	9.6
100.00319	0.2
100.03967	0.3
100.05894	0.2
101.07122	1.7
102.05518	1.3
107.06069	0.7
109.03996	1.5
109.07640	0.4
110.02401	0.2
111.03335	0.1
111.05573	0.7
112.03961	1.1
113.03493	0.3
113.07108	0.3
116.01672	0.8
120.01167	0.5
121.03986	0.2
123.05578	1.0
124.03948	0.7
125.03481	1.0
126.01886	0.4
126.04322	0.2
127.05084	1.6
128.03464	27.3
129.03796	0.7
129.99609	0.3
131.04575	0.5
135.05568	2.8
137.07143	0.7
139.01408	0.2
139.05052	0.3
141.06644	2.8
143.04562	38.2
144.01213	0.3
144.04951	1.0
145.06131	1.6
145.92101	0.1
146.04530	3.2
147.04842	0.2
149.07120	0.3
153.06639	2.8
155.08191	0.5
160.00694	11.0
161.01068	0.3
166.09827	1.4
167.04585	3.3
167.08215	1.3
168.04791	0.1
170.03279	0.4
171.04085	0.6
171.07771	0.4
177.03357	3.7
179.04594	7.8
180.04942	0.4
180.07774	0.2
181.06194	1.0
184.10866	0.6
185.05670	1.4
187.94197	0.1
192.07726	0.6
197.05643	1.4
198.08800	0.8
205.05095	0.2
209.11868	0.1
210.08839	7.4
211.09053	0.2
213.03296	0.2
228.09877	0.3
231.04526	0.4
236.06744	0.2
242.07825	1.1
254.07870	7.6
255.08215	0.4
260.08966	0.1
272.08954	13.8
273.09271	0.8
288.06662	5.7
289.07016	0.4
306.07724	100.0
307.08002	6.5
375.27551	0.2
376.27939	0.2
630.27930	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	629.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47590	0.3
55.01769	0.6
57.03322	0.3
57.13132	0.3
58.00487	0.3
59.01264	3.7
60.75230	0.2
61.98717	1.9
70.80384	0.6
70.80750	0.5
71.01271	3.9
72.99194	0.7
73.02834	1.3
78.95800	0.3
80.96445	0.2
83.01274	1.3
85.02847	1.9
86.00002	0.3
87.00775	0.8
88.98727	0.3
89.02345	0.7
96.95922	2.8
96.96899	0.3
99.00756	0.9
101.02361	2.3
106.14651	0.3
107.08578	1.4
111.00787	0.8
113.02359	1.1
121.02890	2.5
123.04448	4.7
125.02357	0.3
133.06502	0.6
135.04442	1.1
135.08066	0.5
136.04271	0.4
136.05244	4.6
149.06012	1.1
150.06723	0.5
151.07599	6.3
165.05585	0.3
168.04250	0.9
174.01646	0.4
235.62221	0.3
293.21161	0.4
306.07635	0.3
449.32794	1.7
467.33835	6.9
468.34125	0.9
469.35532	0.3
611.38184	1.1
629.39197	100.0
630.39551	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	629.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55968	1.1
56.41105	1.0
59.01269	6.2
61.98719	5.9
71.01271	4.7
73.02849	1.3
79.95634	3.2
80.96416	10.3
81.03326	1.8
81.95204	1.8
82.96001	3.6
83.01271	2.3
83.51289	1.0
85.02854	3.2
87.00760	2.3
88.98693	1.3
93.03333	1.3
94.97984	2.8
95.01302	7.6
96.95916	11.3
96.96882	2.0
96.97547	1.2
101.02359	2.7
108.02040	1.5
109.02853	3.2
111.00790	1.5
113.02326	1.7
116.41019	1.1
121.02876	7.9
122.03601	1.3
123.00812	100.0
123.04441	2.9
124.01611	35.0
125.02397	5.3
133.02922	1.3
134.03607	1.4
137.02376	4.8
138.03175	32.7
139.00278	1.7
139.03969	21.3
145.02858	2.1
148.98984	1.1
149.02467	1.5
150.03180	2.1
151.00302	2.6
151.03964	1.8
153.01866	3.8
153.05516	1.2
162.03171	1.5
163.03941	1.8
164.98637	1.0
165.01813	1.6
165.05508	1.2
166.02626	2.3
167.03513	2.0
167.79253	1.1
168.04248	1.4
169.06654	1.3
174.08424	0.9
175.03917	1.4
177.01721	1.2
181.05009	2.4
183.04494	1.7
183.06604	1.1
185.06038	2.4
187.03900	1.0
190.02718	1.0
193.05144	2.1
195.04579	1.3
197.06038	5.2
206.53088	1.2
209.06123	1.4
211.03908	2.0
212.04839	1.4
213.05591	6.7
223.03949	1.4
224.04776	4.3
225.00717	1.8
225.05583	8.1
225.07419	1.5
227.00354	1.8
227.03644	1.3
236.04863	1.3
237.05602	1.6
239.07146	1.8
240.04242	3.4
241.05106	17.7
242.05804	2.5
243.06577	1.6
251.07098	1.5
253.05180	10.3
254.05701	3.5
255.02982	2.0
255.06546	3.4
256.03705	1.4
256.07465	4.6
257.04538	3.2
257.08182	2.3
259.06168	3.5
267.03043	1.3
267.06549	1.6
268.07483	32.8
269.04651	3.1
269.08029	4.6
271.06110	2.9
271.09656	2.0
273.07800	1.5
281.04642	1.8
283.06094	2.8
283.09677	2.0
285.04156	9.2
286.04562	2.2
287.05643	2.2
295.06250	1.7
297.04068	4.8
297.11469	1.5
298.04416	1.3
299.05347	2.0
300.03433	1.2
300.06354	6.8
301.07196	4.7
310.08557	1.2
312.06445	4.7
313.07217	8.9
314.07895	1.9
315.05408	1.2
315.08783	18.2
325.07257	1.9
325.10889	1.1
326.08066	1.8
327.08844	55.2
328.09222	5.6
339.08704	2.3
341.10498	5.4
348.37793	1.3
355.11774	1.2
356.09024	2.0
369.09900	20.3
370.09998	1.3
383.11523	6.9
399.10983	3.1
411.10986	37.1
412.11273	4.8
423.11020	1.1
429.12204	1.8
444.10553	1.8
457.11386	4.8
459.12918	6.5
471.13254	5.6
493.13593	1.9
569.11200	2.8
599.17883	81.8
600.18250	13.3
611.17865	50.6
612.18420	11.5
628.27740	6.3
629.18347	6.8
629.27423	21.6
630.27618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69372	0.8
59.01291	1.6
61.98718	8.3
71.01311	1.4
72.46346	0.7
72.99249	0.7
75.00819	0.9
81.03394	3.2
83.04980	0.7
87.00799	1.1
88.98726	0.7
93.03365	4.0
93.97240	0.7
95.01349	1.4
96.95918	3.9
101.02409	1.1
107.11376	0.8
108.02126	1.2
109.02866	55.1
110.03252	1.9
111.04446	5.2
113.02388	0.8
119.04971	0.8
121.02885	3.4
122.03735	0.8
123.00860	2.9
123.04552	0.7
124.01650	2.9
125.02372	12.8
133.02934	1.6
135.04506	2.2
137.02371	7.9
138.03172	0.9
139.00269	0.7
139.03946	26.9
140.04265	1.1
145.02884	1.0
147.04492	1.0
149.02481	1.9
149.64201	0.7
161.02373	4.8
165.01933	0.9
165.05504	1.7
166.02623	0.8
167.03462	18.9
169.02954	2.0
177.01904	11.2
179.07155	1.0
187.03998	0.9
189.01913	20.5
190.02527	2.2
191.03552	2.0
197.02548	2.5
201.01945	1.1
202.02795	2.5
203.03535	3.1
214.02658	1.7
215.03505	25.4
216.00703	2.2
216.03986	1.7
217.01434	38.1
218.01863	2.4
219.02908	4.0
225.02115	1.1
229.01495	4.4
229.05020	1.4
231.03018	6.7
233.04628	2.0
234.01703	3.5
237.05495	0.8
239.03548	2.1
240.04234	1.3
241.01555	1.3
241.05118	1.1
242.02191	8.1
243.03027	20.0
244.03511	1.7
245.04608	0.8
246.01727	1.0
255.03073	2.2
257.04706	2.0
259.06061	1.4
265.05078	1.3
269.00961	13.5
271.02560	1.1
274.01190	5.7
279.06595	1.3
281.06799	10.1
282.06995	0.9
284.03406	3.6
285.03946	1.8
292.04147	1.0
297.04150	1.6
309.04129	10.8
309.07309	1.1
310.04514	1.4
321.04187	1.4
323.05734	2.9
324.06558	1.7
337.03610	5.8
338.04224	0.9
339.05154	5.4
347.05878	1.2
347.15158	6.6
349.07294	2.6
351.05179	5.9
352.05969	2.6
353.06815	1.3
357.06226	28.5
358.06744	2.5
365.06909	1.4
379.04718	26.4
380.05075	3.2
381.06207	5.3
384.05081	1.3
393.02359	1.6
393.06720	1.6
394.07104	2.6
395.07855	1.5
409.05777	26.4
409.11261	1.3
410.06134	2.8
453.04532	1.3
461.09070	5.2
467.10226	6.1
489.08502	3.3
490.08737	1.4
491.09906	2.6
519.09479	100.0
520.09827	14.7
629.13165	94.4
630.13519	17.6
630.23291	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92230	0.3
57.03329	0.6
59.01257	1.6
61.98722	4.2
71.01269	1.5
71.04889	0.5
71.42728	0.6
72.62231	0.3
75.53714	0.3
78.95800	40.5
80.96378	0.5
83.01268	0.5
85.02850	0.9
86.27573	0.3
89.02334	0.7
93.03307	0.4
95.04887	0.4
96.95933	2.2
96.96869	7.2
97.06477	0.6
101.02374	0.7
113.02350	0.5
113.09628	0.6
121.02911	0.9
122.03705	0.5
123.00801	0.4
123.04443	1.4
125.02397	0.5
125.06073	0.3
125.09670	0.5
129.09227	0.4
133.06540	0.5
135.04420	0.6
135.08095	1.4
136.05255	1.6
139.11215	0.6
149.06010	1.4
150.10423	0.4
150.97984	0.4
151.07579	4.4
152.99541	38.4
153.99846	0.5
163.11244	2.2
164.11917	0.4
165.12897	0.6
167.10724	0.5
167.14371	1.1
168.11533	0.7
171.00641	0.9
171.10147	0.4
181.12308	0.8
182.13048	0.5
183.13835	0.7
195.13863	2.8
197.11827	0.7
199.13396	0.5
211.13396	1.1
223.00078	3.6
241.01224	19.0
242.01486	0.7
249.22269	3.0
250.22675	0.5
259.02252	1.2
264.72787	0.3
267.23499	0.5
270.87381	0.3
284.03189	0.5
293.21323	37.9
294.21603	3.3
299.05710	0.7
311.22379	33.7
312.22610	2.5
315.04996	4.6
333.06073	1.1
447.31323	0.6
465.31955	1.7
609.36310	0.6
627.27930	100.0
627.37708	31.1
628.28534	15.5
628.38165	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	627.28
Annotation	Primary fluorescent chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01283	0.5
59.23341	0.5
59.74183	0.4
61.98700	1.5
62.96282	0.6
70.91431	0.6
70.91763	1.0
71.01269	1.6
78.95797	42.5
79.95624	3.5
80.96423	1.6
81.95200	2.3
81.96047	0.6
82.95992	0.9
85.02848	0.5
96.96866	8.1
99.08103	0.8
101.02327	1.0
103.13316	0.5
112.46530	0.4
113.02359	0.7
113.09631	1.5
115.07567	1.6
125.02352	0.7
125.08765	0.5
127.07574	0.8
127.11236	0.6
128.08337	0.8
135.04448	0.5
136.05217	0.6
146.93764	0.5
150.98012	0.5
151.07579	2.1
152.99535	32.7
153.99820	0.6
163.63223	0.5
165.12730	0.7
167.14363	4.3
171.00618	1.4
183.13916	2.6
191.83255	0.5
195.13882	14.2
196.14229	0.8
199.13362	0.6
209.11766	1.2
211.13377	1.5
213.14978	1.4
223.00163	3.8
225.00677	0.8
229.14426	0.6
241.01219	18.8
242.15218	1.9
249.22339	0.7
259.02377	1.0
265.21811	0.6
267.23431	1.1
275.20270	1.0
283.23013	0.6
291.19772	0.8
293.21329	11.8
294.21494	1.1
311.22366	64.4
312.22678	6.2
315.04993	2.4
370.83615	0.6
541.18103	1.8
627.28009	100.0
627.36633	4.4
628.28345	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	626.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98721	100.0
72.99208	0.6
74.06324	0.3
75.00762	0.5
83.01279	0.4
87.58844	0.3
88.98727	0.4
94.48038	0.4
96.95917	0.6
98.19717	0.7
109.02885	0.6
119.20322	0.4
132.02180	0.4
135.00812	0.7
149.83319	0.4
151.00339	1.0
178.99821	0.5
191.05742	0.5
196.88451	0.4
227.03505	15.6
228.03911	1.2
229.80267	0.4
255.03041	28.6
256.03467	3.4
257.04520	1.2
283.02472	0.7
284.03348	49.1
285.03955	9.9
286.04330	0.5
388.50250	0.4
413.09302	0.5
422.98090	0.5
473.35413	0.4
563.14221	69.2
564.14526	9.6
627.13556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2711
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
57.03338	0.6
59.01256	1.6
61.19162	0.3
61.98720	6.7
63.74257	0.3
63.96125	0.9
69.03347	0.6
69.85547	0.9
69.85960	1.0
71.01275	6.6
72.99203	0.5
73.02835	1.7
74.45335	0.3
78.95769	1.6
78.98483	4.5
79.95629	10.1
80.96413	54.7
81.03345	1.1
83.01271	0.6
85.02834	2.9
87.00773	2.4
88.98695	0.5
89.02341	0.8
94.70888	0.3
94.97382	0.7
94.97990	12.3
96.95918	2.4
96.96863	0.4
97.02872	1.2
99.00790	0.7
101.02355	2.8
106.98043	2.5
107.01274	0.5
108.02094	0.9
109.02866	1.1
113.02383	0.9
117.37659	0.3
118.95784	0.3
122.97493	4.9
123.04409	0.3
125.02362	3.7
127.03902	1.4
134.97527	3.9
135.04453	1.1
136.99083	1.1
139.60297	0.3
141.09149	0.5
148.99066	4.7
151.00334	1.0
152.00800	0.4
152.98576	7.2
155.10712	0.5
161.04570	1.7
164.98590	12.0
167.00169	0.6
167.03387	0.4
171.10274	0.9
182.99637	2.3
185.11812	1.2
197.11864	0.8
197.20120	0.3
206.99706	2.9
225.00757	22.6
226.01103	0.7
243.01819	2.3
243.19998	0.4
271.08362	1.1
291.19772	0.7
299.04568	2.7
309.20901	0.4
313.03674	0.8
329.06650	0.6
355.25089	0.4
373.26038	7.2
374.26440	0.7
515.40723	0.4
591.17670	1.0
627.27051	100.0
628.27405	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	627.271
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
51.18491	0.3
51.90853	0.3
53.90878	0.3
59.01267	1.0
59.43986	0.3
60.04737	0.4
61.98715	1.6
63.96126	0.9
69.03344	0.6
71.01270	5.6
71.52637	0.6
72.99194	0.4
73.02833	1.5
74.40578	0.3
75.00781	0.5
78.95798	0.5
78.98479	4.3
79.95626	13.0
80.96413	49.9
81.03374	0.7
85.02863	2.7
87.00778	1.7
93.03321	0.4
94.97990	12.1
95.01255	0.5
96.95922	1.8
97.02850	1.4
99.00799	0.6
101.02330	2.6
102.01959	0.3
106.98005	2.5
108.02054	0.4
111.64545	0.3
113.02367	0.8
122.97501	4.3
124.01595	0.5
125.02387	3.5
127.03948	0.6
134.46124	0.3
134.97520	3.8
136.99088	1.3
138.70663	0.4
148.99089	5.3
152.97433	0.5
152.98576	5.9
161.02356	0.7
161.04466	0.4
164.97275	0.7
164.98601	10.1
167.00128	0.4
167.03484	0.3
171.10208	1.0
182.99646	2.6
188.98569	0.4
194.37506	0.4
206.99690	2.5
211.13414	0.7
211.37462	0.4
225.00760	20.0
226.01115	0.8
229.14468	0.6
243.01756	2.5
257.04489	0.4
269.04724	0.5
271.05981	0.5
299.04553	2.8
317.05661	0.4
323.02429	0.4
327.21841	0.6
415.11230	0.4
417.09860	0.7
432.12335	1.0
447.14615	4.6
448.15195	0.4
529.19818	0.4
627.27069	100.0
628.27399	17.4
630.48584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34516	0.4
58.00468	0.7
58.76905	0.4
59.00993	0.9
59.01268	12.2
61.69072	0.5
65.63012	0.5
69.03347	0.7
71.01276	11.6
71.62135	0.8
72.01575	0.4
72.99194	1.1
73.02840	1.6
75.00774	1.0
80.02562	1.5
81.03351	1.4
82.80648	0.5
83.01295	1.3
83.04921	5.9
83.64484	0.4
84.02054	1.9
85.02852	2.5
87.00783	2.9
89.01823	0.8
89.02344	12.7
89.11127	0.5
93.03368	0.6
95.01296	0.7
95.04891	0.7
96.95943	0.6
97.02853	1.4
99.00728	0.8
101.02348	9.4
109.02868	0.7
109.03878	0.5
111.00790	0.8
113.02359	5.3
119.03418	4.0
124.01644	0.5
125.02368	3.8
125.47664	0.5
131.03419	0.5
133.05035	0.5
135.08081	1.0
139.00273	0.5
140.01073	0.5
143.03445	2.1
147.11810	0.7
149.04538	0.6
153.05411	0.5
161.02473	0.7
161.04553	2.4
163.11258	5.4
165.12823	2.7
177.01860	0.5
179.05643	2.7
181.12305	0.8
189.06363	0.5
191.10733	1.1
197.06123	0.5
209.11821	100.0
210.12137	4.9
217.07240	0.6
221.06743	1.2
227.12895	18.8
228.13168	1.3
235.08289	4.8
236.08690	0.5
245.06844	0.5
253.09322	1.3
263.07706	0.7
271.02655	0.5
277.09262	0.6
287.01883	0.6
287.07819	1.3
305.08691	1.0
316.02396	2.3
317.03177	0.7
323.09943	0.7
347.17474	0.5
397.13596	32.1
398.14081	2.8
415.14658	17.4
416.15057	2.0
446.05402	1.1
463.08972	2.1
607.26501	0.6
625.14032	2.2
625.26660	0.9
626.12469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
58.24029	0.3
59.01260	1.5
60.38486	0.3
61.98707	1.1
63.96121	0.7
64.74054	0.3
65.12579	0.2
69.03336	0.5
70.87950	0.3
70.89735	0.6
70.90057	0.3
71.01273	6.1
72.99207	0.5
73.02840	1.3
78.95805	0.3
78.98483	4.7
79.95253	0.3
79.95628	22.6
80.96413	52.4
81.03346	0.9
85.02845	1.7
87.00778	2.2
87.90937	0.3
91.49271	0.3
94.97374	0.6
94.97986	12.6
95.01299	0.3
96.95911	1.1
97.02866	1.7
99.00739	0.7
99.04417	0.4
101.02345	2.7
104.02358	0.3
106.97993	2.8
113.02371	0.5
122.97506	5.6
125.02364	3.1
127.03938	0.7
134.71568	0.3
134.97507	4.5
136.99110	2.0
139.75510	0.3
140.95602	0.3
143.03455	0.3
145.02921	0.4
148.99094	5.2
152.98590	6.6
153.05489	0.3
153.09023	0.3
161.04482	0.4
164.98587	12.1
167.00072	0.5
177.50600	0.3
179.00180	0.5
182.99640	2.5
197.11859	0.4
206.99689	3.7
209.11826	0.8
225.00758	23.6
226.00978	0.8
241.00294	0.7
243.01851	2.7
299.04501	4.4
315.04083	0.5
371.06635	0.9
385.08188	0.6
399.09924	0.8
401.58594	0.3
413.11288	0.5
427.13168	0.6
441.14618	1.8
481.17764	0.5
509.17108	2.5
510.17441	0.3
625.25525	100.0
626.25848	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	625.264
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.28871	0.3
55.02248	0.2
57.03311	0.4
59.01256	1.6
61.98716	6.5
62.96278	0.5
71.01261	1.7
71.89835	0.3
72.99191	0.6
73.02852	0.4
78.95796	100.0
79.95635	2.6
80.96411	7.5
81.23323	0.3
85.02837	0.6
87.00782	0.3
88.98692	1.2
93.03398	0.3
94.98000	1.5
96.96867	65.3
99.00771	0.3
101.02353	0.9
106.97969	0.5
108.02068	0.5
113.02386	0.4
121.02925	0.3
122.97486	0.6
125.02363	1.0
134.97507	0.5
135.04462	0.3
145.02898	0.6
145.17464	0.3
146.02345	0.3
148.99101	0.8
151.00420	0.3
152.01100	0.5
152.98541	0.7
153.01895	0.3
161.04520	0.4
164.98538	1.7
165.98920	0.3
166.38229	0.3
167.03479	0.3
182.07217	0.3
187.08748	6.1
188.09105	0.4
199.13411	0.3
206.99611	0.3
209.11786	0.9
212.05994	0.3
221.42741	0.3
225.00757	2.5
227.12872	1.0
231.07994	0.3
241.09790	2.5
243.06609	0.3
257.05670	1.2
257.12994	1.4
285.08969	0.8
287.05426	0.3
299.05450	0.3
301.11990	5.4
302.12421	0.4
307.08310	0.4
371.24237	0.3
397.13492	0.3
403.17917	0.4
441.14221	0.4
463.17294	9.7
464.17505	1.4
540.62366	0.3
625.26233	53.3
626.26544	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	625.265
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
57.03323	0.8
59.01266	3.2
61.98725	4.8
63.73639	0.6
65.47238	0.6
71.01260	3.5
73.02856	0.8
74.00585	0.6
78.95798	29.0
78.98473	2.0
79.95630	5.9
80.96416	20.5
81.95210	0.7
83.04879	0.6
85.02843	2.0
87.00777	1.2
94.97971	5.0
96.95903	1.7
96.96863	5.2
97.02849	0.6
97.06501	0.9
99.00790	0.6
99.13655	0.6
101.02328	2.7
106.97995	0.6
115.07580	0.7
116.92788	0.6
122.97492	2.5
123.00739	0.8
125.02344	1.9
127.03992	0.6
134.97504	1.8
136.00665	1.2
137.02417	0.7
141.09091	1.0
148.99081	2.3
151.03935	1.0
152.99559	22.4
156.67989	0.6
164.98576	4.6
165.05542	0.7
165.12834	1.8
167.14308	1.1
171.00630	0.7
171.10130	0.7
181.12296	2.5
182.99612	1.3
183.13852	0.9
193.12285	1.1
195.13882	1.1
197.11893	3.4
201.05508	1.1
206.99648	1.1
209.11852	5.0
211.13434	2.8
219.06714	1.0
221.15483	0.9
223.00139	2.5
225.00778	7.7
229.14563	0.7
240.13823	1.3
241.01236	13.5
243.01691	0.9
247.20662	2.7
259.02313	0.8
273.18732	1.8
291.19766	16.8
292.20071	2.5
299.04633	1.7
302.03415	0.6
309.20801	26.3
310.21121	2.7
310.24789	0.7
315.04941	2.0
461.29758	0.9
523.18732	2.0
537.20673	0.7
625.26147	100.0
626.26398	18.5
626.35419	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86593	0.4
59.00983	0.3
59.01254	1.1
61.98719	2.0
63.96124	0.7
69.03336	0.5
71.01275	4.4
71.42770	0.8
73.02834	1.2
75.00751	0.5
78.95798	0.7
78.98477	3.1
79.95628	100.0
80.96410	38.2
81.03336	0.4
82.38042	0.3
83.04929	0.4
85.02853	2.0
87.00773	1.2
89.02343	0.4
94.97992	8.8
96.95897	1.7
97.02851	1.1
99.04436	0.4
101.02343	2.1
106.98006	1.9
111.94637	2.5
113.02335	0.7
121.76758	0.3
122.33300	0.3
122.97498	3.8
125.02332	2.6
127.03924	0.5
134.97507	3.4
136.99092	1.6
143.04582	0.3
148.99084	2.5
149.06049	0.3
152.98553	4.7
152.99553	0.3
160.73015	0.3
161.04514	1.8
164.98576	6.9
165.98874	0.5
167.00136	0.5
171.10123	0.6
179.00159	0.7
182.99673	2.6
188.98566	0.4
197.01199	0.4
197.11801	1.3
206.99715	3.9
209.11777	1.2
221.11885	0.5
222.12384	0.3
222.37920	0.3
223.99799	0.7
225.00751	18.0
226.01108	0.6
241.00243	3.7
243.01868	2.5
298.03668	0.6
299.04495	6.2
300.04764	0.4
304.45740	0.3
315.04126	1.0
330.02994	0.4
341.05304	0.4
371.06607	1.9
385.08423	1.6
399.09750	4.7
413.11407	1.6
427.12561	0.4
441.14502	0.6
463.34491	0.4
471.15369	0.8
474.14178	0.4
497.17126	5.7
498.17316	0.7
509.17108	0.6
539.18182	33.3
540.18469	4.7
607.24335	7.1
608.24786	1.3
625.25519	43.3
626.25818	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	625.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84665	0.4
57.03343	1.5
59.01271	2.8
60.99199	0.6
61.98481	0.2
61.98722	13.8
63.02282	1.2
65.00213	14.1
66.00550	0.6
71.01286	2.0
71.36612	0.5
71.36961	0.9
72.99199	0.5
73.02867	0.5
78.95800	30.6
79.95647	0.7
80.96428	1.3
81.03341	0.5
82.94212	0.4
83.01283	5.9
85.02844	0.6
88.98700	4.8
89.02344	0.8
95.01265	0.6
96.95919	2.0
96.96872	2.9
97.02873	0.5
101.02372	1.1
107.01305	21.0
107.04981	0.5
109.02873	2.1
113.02383	0.7
116.92754	0.6
121.02899	0.9
123.04459	0.4
125.02377	12.1
126.02721	0.6
132.02090	1.2
133.02893	2.0
134.03670	6.2
135.04459	69.9
136.04788	2.5
137.02393	0.8
137.06007	0.5
141.09129	0.7
149.06049	1.0
151.00320	100.0
152.00650	3.7
152.99553	0.8
153.01936	0.6
159.04462	1.4
160.01622	7.7
160.02869	0.8
161.02412	11.5
161.04504	1.0
165.01862	1.1
169.01401	2.3
171.10204	0.7
175.00334	1.3
175.03972	13.7
176.04427	0.7
177.01880	2.1
177.05589	0.7
178.02304	0.5
185.11839	1.2
193.01375	0.9
193.05052	4.5
197.11830	1.5
209.11913	1.0
227.12869	1.3
240.83836	0.5
243.06686	5.0
287.05704	52.2
288.06021	4.5
291.19836	0.6
309.20660	0.6
323.07809	0.8
327.21786	1.0
329.06683	1.0
337.09402	11.7
338.09628	0.9
371.24487	1.5
449.11063	6.0
473.14688	3.4
489.10391	0.8
499.12613	5.4
500.12946	0.9
552.29675	3.9
581.16681	0.6
625.15552	27.2
625.26080	13.3
626.15973	6.1
626.26367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63741	0.2
52.99929	0.2
59.01268	0.7
61.98719	100.0
68.89635	0.2
70.66896	0.1
71.01284	0.4
71.59446	0.2
75.00784	0.3
78.91830	0.2
78.95818	0.6
89.02335	0.2
96.95882	0.2
101.02367	0.2
108.12412	0.2
113.67455	0.2
135.00980	0.2
152.99586	0.4
161.31345	0.2
176.62732	0.2
184.59363	0.2
197.11920	0.3
198.32726	0.2
208.10599	0.2
209.11922	0.6
225.11395	0.4
226.11716	0.2
230.08005	0.2
232.43710	0.2
302.11743	0.2
592.10510	0.2
624.26837	1.6
625.26447	0.6
654.78326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1427
Annotation	Myricetin-3-O-rutinoside
Peak:m/z	Relative Intensity
55.34587	0.3
63.02279	0.7
65.00208	0.7
69.25085	0.3
69.39679	2.0
69.40090	0.5
71.01285	0.3
75.00775	0.4
83.01281	0.5
87.82698	0.3
96.95916	0.3
101.02355	0.3
107.01301	1.8
109.02876	0.8
123.00755	0.4
124.01595	2.7
125.02359	1.1
135.00777	0.9
136.01613	0.7
137.02380	2.5
148.00119	0.3
148.01573	0.4
149.99615	0.4
151.00319	7.5
151.01530	0.5
152.01074	1.3
153.01849	0.4
163.00359	1.6
164.01108	2.3
165.01767	0.4
169.01404	0.8
177.01936	0.4
178.99825	7.3
179.01323	0.6
187.03976	0.5
188.04752	0.5
190.99823	0.4
192.00734	0.4
199.04024	0.6
203.03476	1.1
204.04294	0.8
213.01974	0.4
214.02701	7.9
215.03423	0.9
216.04161	0.3
227.03542	1.2
231.02899	0.4
232.03767	0.6
241.01468	0.4
242.02220	6.5
243.03009	4.3
244.03523	0.4
245.04631	0.3
255.02982	0.9
258.99878	0.6
259.02518	8.2
260.02994	0.6
268.61877	0.3
270.01782	7.5
271.02539	46.3
272.02917	4.2
285.00562	0.5
287.02045	28.8
288.02527	4.4
299.01953	0.7
300.02786	2.9
315.01517	1.0
316.02310	100.0
317.02872	16.7
318.03406	0.9
329.03275	0.4
447.05783	0.7
625.14227	87.2
626.14514	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	623.2766
Annotation	Fenfangjine B
Peak:m/z	Relative Intensity
59.01259	2.2
61.98705	1.7
63.96127	0.8
69.02171	0.5
69.45501	4.1
71.00947	0.7
71.01270	7.2
73.02831	1.5
78.95795	1.8
78.98480	4.9
79.95628	9.3
80.96414	60.5
81.03327	0.8
85.02877	3.0
85.03323	0.7
87.00783	2.9
89.02324	0.8
94.97990	14.2
95.01288	0.6
96.95906	1.2
96.96843	0.6
97.02856	1.6
99.00783	0.8
101.02326	2.4
106.98038	2.8
109.06509	0.9
113.02364	0.9
119.03435	0.7
122.97524	4.5
123.00736	0.6
125.02372	3.7
127.03944	0.6
134.97514	4.5
136.99034	1.3
148.99101	5.9
152.98587	6.2
152.99701	0.7
157.67792	0.5
163.11153	1.1
164.98596	10.1
167.00079	0.5
179.00143	0.5
182.99591	2.4
206.99663	3.4
207.10260	3.9
209.11830	0.5
211.13472	0.5
225.00754	18.7
225.11302	2.8
226.01004	1.0
243.01770	1.2
252.46761	0.5
267.63553	0.5
291.19724	1.4
299.04495	2.7
387.25323	0.8
397.13715	1.1
539.18237	4.0
623.27484	100.0
624.27802	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	624.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57666	0.1
59.01270	0.6
60.99214	0.1
61.18164	0.1
61.98720	100.0
62.98428	0.2
69.45247	0.4
69.45668	0.5
71.01275	0.8
72.99221	0.2
73.02841	0.2
74.02341	0.1
75.00758	0.1
78.14300	0.1
78.95795	1.6
79.95636	0.3
80.96420	0.7
83.01310	0.2
85.02850	0.4
85.09555	0.1
87.00758	0.3
88.00285	0.2
88.98698	0.7
89.02366	0.3
94.97987	0.2
95.16367	0.1
96.95920	0.2
96.96883	0.7
101.02361	0.6
108.02078	0.2
109.02890	0.2
109.31329	0.1
113.02395	0.2
116.92763	0.2
117.06413	0.1
121.02869	0.3
122.77135	0.1
123.04448	0.2
125.02377	0.2
135.04478	0.1
146.02396	0.2
152.01126	0.1
152.98515	0.1
153.01900	0.1
153.05617	0.2
164.98619	0.2
209.11807	0.2
225.00777	0.3
240.04338	0.1
256.03812	0.1
269.04636	0.1
271.02539	0.3
272.03076	0.3
299.02103	0.2
300.02567	0.5
301.03244	0.2
315.05240	0.3
316.05466	0.2
330.46878	0.1
359.47177	0.1
373.05936	0.1
403.10684	0.3
537.47736	0.1
624.14679	0.7
624.25256	0.3
624.37427	0.2
625.26227	1.8
625.38287	0.9
627.97144	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	623.1632
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
63.53169	0.7
70.36969	2.6
75.43665	0.7
151.00322	3.8
153.01927	1.0
169.01207	0.9
183.04483	1.6
199.04047	4.2
201.01897	1.0
204.03951	0.8
211.03938	0.8
215.03456	2.0
216.04117	0.9
227.03474	4.3
242.02225	3.1
243.03021	24.7
244.03525	2.9
254.02351	1.4
255.03046	17.1
256.03586	2.2
257.04611	2.9
270.01822	4.1
271.02536	43.8
272.03134	5.7
285.04123	7.7
286.04840	3.1
287.05624	2.4
299.02060	44.9
300.02789	42.8
301.03323	2.9
314.04401	42.5
315.05173	100.0
316.05508	8.4
357.05917	0.9
407.55664	0.8
623.16321	78.3
624.16718	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	1.2
59.78299	0.3
60.99192	0.5
61.98722	1.5
65.00223	0.9
71.01267	1.3
71.10759	0.4
71.11098	1.0
79.95628	1.6
80.96426	1.3
83.01302	0.4
85.02833	0.5
88.98716	1.5
89.02301	0.5
89.95334	0.3
96.95918	1.9
97.02850	0.8
98.95505	0.4
101.02385	0.5
107.40514	0.3
107.41245	0.4
108.02114	0.4
109.02876	2.2
110.01134	0.3
113.02345	0.5
121.02878	3.8
123.04449	0.4
123.85320	0.4
124.01553	0.3
139.03899	0.4
145.02890	0.4
149.99513	0.4
151.00330	0.9
163.03896	0.5
165.01900	11.6
167.03362	0.4
173.02406	0.3
177.05557	0.4
187.03961	0.5
191.03595	0.5
193.01360	1.8
199.03973	1.5
201.01889	0.5
207.10234	0.6
215.03517	1.0
225.00833	0.4
226.02818	0.7
227.03616	2.0
242.02092	0.6
243.03006	4.9
254.02252	1.8
255.02994	2.4
257.04608	0.7
259.06284	0.5
269.04550	2.2
270.01682	0.6
271.02536	47.2
272.02988	3.8
281.06604	0.5
285.04163	1.7
286.04791	0.8
287.05652	1.2
297.04486	0.4
299.02039	78.8
300.02628	11.4
314.04401	73.7
315.05109	32.0
315.08978	0.7
316.05508	2.6
357.06216	0.5
461.14194	0.4
475.82446	0.4
623.16278	100.0
624.16565	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	621.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85364	1.9
56.25470	1.8
59.75058	1.6
61.98708	2.2
68.21663	2.4
69.42827	11.7
69.43240	4.5
71.68485	1.7
79.25868	1.8
79.41994	1.7
91.01200	1.6
94.91159	1.7
98.19846	4.1
165.01886	1.7
167.14421	2.4
193.12383	3.1
211.13362	2.1
213.48056	2.0
247.20709	4.3
281.21277	3.9
291.19778	25.3
292.20062	2.8
293.21301	6.2
309.20804	100.0
310.21155	12.5
311.22397	11.0
319.35062	2.1
373.31665	2.2
387.79297	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	623.1422
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
55.53697	0.3
59.01259	1.5
61.98714	2.7
63.02281	0.6
65.00210	0.5
69.20753	0.4
71.01265	1.0
71.62022	0.7
78.95802	0.7
80.96391	0.5
83.01263	0.7
85.02834	0.7
88.98694	0.5
89.02313	0.4
96.95926	0.6
101.02375	0.6
107.01323	0.8
109.02848	1.3
117.03384	4.0
119.04960	2.5
121.02861	0.5
125.02348	0.5
129.06970	0.4
133.02890	2.9
134.03583	0.4
135.00792	0.6
135.04471	2.1
137.02342	0.5
145.01825	0.6
145.02896	9.4
148.01619	0.4
151.00314	3.5
155.04980	0.4
160.01625	1.0
161.02409	5.7
163.00307	0.9
163.03989	1.2
171.04428	1.0
175.03976	2.0
177.05508	0.6
179.03424	1.2
181.12268	0.3
187.03947	0.7
193.04996	0.4
199.03978	3.9
201.01944	1.0
203.03519	0.4
207.10349	0.5
211.03987	0.4
215.03529	1.8
216.04184	0.7
221.04559	0.8
225.11342	0.8
226.02647	3.0
227.03532	7.2
228.04010	0.7
242.02231	0.4
243.02994	9.6
244.03366	0.9
254.02266	3.7
255.03015	10.8
256.03510	1.3
271.02539	77.2
272.02979	8.0
283.02579	0.5
284.03342	4.9
285.04001	1.2
299.02090	58.7
299.05640	6.3
300.02795	72.8
301.03207	6.1
307.08292	1.0
308.51382	0.4
313.03845	0.8
314.04315	0.5
315.05176	76.0
316.05508	5.5
323.07767	5.7
324.08243	0.6
459.09280	0.4
477.10413	5.0
478.10422	0.7
563.31403	0.5
565.26837	1.3
608.11755	5.6
609.11670	0.9
623.14233	100.0
624.14539	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	620.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84240	2.9
56.38408	3.0
57.03335	3.4
59.01267	15.6
61.98715	30.9
71.01267	18.2
71.62836	4.7
72.99184	3.2
73.02849	4.5
75.00774	9.6
78.95804	3.5
81.03345	3.9
83.01269	4.0
83.04901	2.9
85.02849	4.4
89.02327	8.0
94.36673	2.8
96.95930	3.6
97.06521	3.7
101.02336	15.4
111.00681	3.1
113.02346	4.0
115.26403	3.0
121.06483	2.7
123.04465	4.3
125.02372	25.9
125.09664	7.6
129.09155	13.6
139.03946	3.0
141.09142	7.7
146.02425	7.9
155.10741	12.0
162.01839	3.0
163.11224	6.1
165.12805	4.4
165.18088	3.7
167.10687	3.2
171.10246	18.7
185.11809	43.6
191.05679	3.0
191.14333	3.7
197.11826	27.0
201.65091	3.0
207.10266	4.2
209.11893	22.7
218.58983	3.3
241.30725	4.1
245.19359	3.9
253.09331	12.1
253.14500	4.1
271.20624	3.7
289.18198	17.6
291.19748	19.5
293.21402	17.2
307.19214	24.0
309.20819	26.9
310.20966	3.2
311.22366	15.2
315.19785	7.7
327.21851	100.0
328.22202	10.9
333.20718	16.6
351.21991	6.8
354.93604	3.6
369.22644	4.4
399.24030	17.5
429.25095	49.4
430.25357	6.6
439.16000	2.8
459.53976	3.3
489.27216	35.9
490.27661	5.2
562.22620	3.2
572.10321	3.1
620.31799	5.6
621.25879	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	619.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
59.01261	1.4
63.63500	0.6
69.03343	1.4
69.60968	2.2
69.61388	1.9
71.01250	0.9
71.04909	0.5
71.99908	0.5
78.95789	2.1
81.43509	0.5
83.04908	1.0
85.02849	4.3
95.04942	1.1
97.02874	0.6
97.06484	2.5
98.20609	0.7
109.06489	1.0
111.08060	1.5
125.09634	1.2
127.11182	2.1
129.09145	0.6
137.09622	1.4
145.02934	0.7
149.09671	0.7
151.11185	1.8
152.99471	1.4
153.09171	0.8
153.12761	2.3
155.10696	1.9
163.11194	1.0
165.12784	1.6
167.10699	1.4
167.14349	0.7
169.12280	0.8
171.10217	13.7
172.10597	0.7
177.12852	0.7
179.14436	1.7
181.12318	2.8
183.13840	1.9
185.11754	1.1
193.15964	0.6
197.11755	2.0
199.13365	1.1
207.13840	1.6
209.11810	1.9
211.13370	11.3
212.13828	0.7
215.12790	1.7
221.11827	1.5
225.11263	0.8
226.11943	0.6
227.12791	1.2
229.14482	7.8
239.13048	0.7
247.20680	4.3
255.23376	2.8
273.18649	1.7
281.21292	0.9
289.18231	0.8
291.19724	23.5
292.20062	3.0
307.19180	1.1
308.19620	1.0
309.20773	100.0
310.21155	10.0
311.22040	1.1
327.21838	53.1
328.22183	3.9
393.26413	0.6
509.34991	1.3
601.41302	9.5
602.41632	2.4
619.42310	24.8
620.42645	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	620.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89468	0.5
57.03360	0.9
58.00487	1.8
59.01264	31.1
61.93110	0.6
61.98703	1.3
69.21008	1.5
69.21422	5.6
71.01272	26.2
72.01612	0.6
72.99203	3.1
73.02822	1.1
75.33053	0.6
78.95793	0.7
83.01315	1.3
85.02857	4.2
87.00766	3.6
88.98711	0.7
89.02341	41.2
94.71906	0.5
95.01305	1.5
96.95871	0.8
98.19831	1.1
101.02345	15.8
102.02650	0.6
113.02361	11.4
119.03427	19.4
121.02879	28.4
122.03240	0.7
125.02341	0.6
130.26604	0.6
131.03494	1.9
135.04500	1.0
143.03464	4.7
146.02428	100.0
147.02795	4.5
149.02411	0.7
149.04503	1.7
161.04550	7.5
161.05939	0.9
163.11263	0.8
165.12848	1.9
167.10701	0.6
179.05585	29.6
193.15936	1.7
219.82588	0.6
247.20737	2.9
291.19742	20.7
292.20404	1.1
293.21249	3.4
309.20795	53.0
310.21051	4.6
311.22354	1.9
319.50128	0.6
442.59546	0.6
459.23795	1.0
620.30902	45.4
621.31421	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	619.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01258	0.6
70.92295	0.6
71.01264	0.6
78.42922	0.2
78.95779	0.4
79.09229	0.2
80.02569	0.4
81.03344	0.4
83.04926	1.3
84.02073	0.6
85.02841	0.3
95.04936	0.5
97.06500	0.7
98.03613	0.2
99.08016	0.5
108.02087	0.3
109.06491	0.9
111.08038	0.5
112.05186	0.3
113.09623	0.4
115.07562	0.7
121.02879	0.4
125.09651	1.2
127.07588	2.0
127.11207	1.1
129.09125	1.1
131.46490	0.2
135.08072	0.4
137.09767	0.2
138.01875	0.9
138.69148	0.2
139.07585	0.6
139.11215	0.2
141.09155	0.6
141.12776	0.3
142.09991	0.4
151.07695	0.2
151.11133	0.3
152.67409	0.2
152.99483	0.3
153.09193	0.9
153.12796	2.4
155.10722	0.9
163.11177	1.4
165.12816	1.0
169.12326	1.6
171.10193	1.0
178.09949	0.7
181.12305	8.2
182.12617	0.5
185.11810	2.8
191.10817	0.6
191.14453	0.4
195.13867	0.3
197.11832	4.6
199.13388	1.1
207.10248	0.5
209.11824	17.3
210.12173	1.2
211.13414	0.4
215.12901	0.3
225.11339	0.3
227.12892	0.7
228.13545	0.7
236.10663	0.4
237.11324	0.6
238.12045	1.1
245.19208	0.8
247.20705	0.3
249.22261	0.9
251.16356	0.3
255.12407	0.3
256.13074	0.5
265.21786	0.8
267.23450	0.6
275.20200	0.4
279.19785	0.5
281.21323	0.5
283.22787	0.4
289.18176	2.9
290.18536	0.3
291.19708	1.8
292.20129	0.4
293.21310	9.1
294.21564	0.6
299.96823	0.2
307.19232	19.7
308.19601	2.2
309.20792	4.8
310.21204	1.1
311.22354	100.0
312.19055	0.5
312.22702	10.2
325.20276	17.4
326.20578	1.8
327.21799	0.9
401.26950	0.3
485.32901	0.3
489.32468	0.7
507.33475	0.2
583.40179	3.4
584.40607	0.6
601.41205	3.6
602.41724	1.1
619.42316	5.8
620.42883	1.1
640.59564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13450	0.5
55.01747	0.5
57.03313	2.2
59.01231	1.9
71.01273	0.6
71.04920	0.9
73.02813	1.0
78.95776	1.4
80.02569	0.6
81.03330	1.8
83.04900	1.6
95.04908	1.3
97.02818	1.5
97.06458	1.9
98.03601	1.2
109.06503	0.9
112.05205	1.2
113.09612	0.6
115.07539	1.9
123.04417	2.0
123.08058	1.9
125.05996	1.2
125.09624	2.7
127.07558	0.8
127.11196	1.8
129.09119	1.0
135.08086	0.7
137.09636	1.0
139.11174	1.0
141.09152	1.2
141.12712	0.8
143.07089	1.0
151.11179	1.2
152.99530	2.0
153.09126	2.2
153.12804	0.9
155.10736	10.4
161.09572	0.6
162.10416	0.9
163.11238	5.2
165.09113	0.7
165.11533	0.8
165.12801	8.2
167.10721	1.8
168.11450	0.9
171.10234	10.6
177.12776	1.0
179.10782	0.6
179.14359	1.7
180.11313	0.6
181.12288	3.5
183.13890	1.4
185.11813	3.9
191.14362	1.9
193.12283	0.7
193.15953	3.1
197.11815	3.6
199.13379	0.7
207.10228	1.5
209.11841	4.8
211.13289	1.1
221.65366	0.5
223.13443	1.5
225.11404	1.2
227.12872	0.7
229.69901	0.5
245.19237	3.6
247.20702	9.5
248.21095	1.2
249.22128	0.7
255.23351	4.2
262.26578	0.5
263.20093	1.1
265.21826	0.7
273.18613	2.9
277.21738	1.1
289.18173	14.6
290.18405	0.9
291.19739	69.1
292.20090	6.8
293.21286	9.1
294.21820	1.0
307.19232	19.2
308.19608	2.1
309.20795	100.0
310.21158	11.4
311.22372	16.2
312.22632	1.9
325.20203	5.7
326.20633	0.6
327.21860	20.6
328.22165	2.5
369.57596	0.5
429.30011	0.7
447.31369	1.2
460.89520	0.6
483.27731	2.2
583.40314	1.8
601.41467	2.4
619.29425	1.1
619.42664	2.5
620.43262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2578
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.23008	0.9
50.73523	1.0
63.69107	0.9
70.15207	3.8
78.95794	6.2
82.42718	0.9
86.37484	1.1
98.20432	1.9
117.71395	1.0
145.02878	1.3
152.99481	4.8
180.64777	1.1
209.11781	1.4
229.83270	1.2
255.23288	3.2
366.90399	1.0
399.23837	1.0
401.13977	1.7
415.15753	2.0
416.16553	12.1
417.16833	1.8
430.18253	2.8
431.18610	1.4
458.17511	1.4
459.18375	95.1
460.18661	16.2
473.13651	1.9
473.19904	14.4
474.20837	5.6
501.19400	1.2
503.17462	2.5
518.19714	48.3
519.20007	7.9
532.21124	6.7
533.22064	95.1
534.22333	15.9
587.23248	6.4
588.23187	1.6
619.25763	100.0
620.25946	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	619.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48564	0.2
55.01773	0.3
55.46229	0.2
57.03337	1.5
58.16362	0.2
59.01274	0.9
63.21082	0.2
65.33046	0.2
69.03338	0.4
70.59016	0.2
71.01289	0.3
71.04905	0.3
71.21515	0.3
73.02834	0.6
78.95811	0.4
80.02592	0.3
81.03373	0.4
83.04934	0.8
95.04935	0.7
97.06522	1.1
98.03664	1.0
98.20566	0.6
99.08094	0.6
106.04183	0.3
109.06461	0.3
111.08090	1.2
112.05232	0.3
113.09660	0.8
114.10053	0.2
115.07587	1.0
118.86931	0.2
121.06445	0.3
123.04429	0.4
123.08128	0.4
125.06022	0.7
125.09655	1.0
127.07590	1.1
127.11192	1.2
129.09154	5.4
137.09639	0.5
139.11241	0.6
141.09148	3.0
141.12811	0.3
143.07147	0.3
144.24216	0.2
149.09702	0.3
151.11234	1.4
152.99472	0.3
153.09180	0.3
153.12813	1.3
155.10727	5.3
163.11259	0.8
164.49944	0.2
165.12805	3.8
167.10757	1.4
167.14380	0.5
168.11566	0.3
169.12323	0.6
171.10234	4.2
172.10541	0.3
173.08205	0.2
177.12796	0.3
179.10764	0.5
179.14430	0.9
180.11472	0.5
181.12312	2.9
183.13898	0.6
185.11810	9.6
186.12141	0.3
188.61339	0.2
191.14438	0.3
193.12358	0.9
193.15961	1.7
195.13884	0.7
197.11826	10.0
198.12251	0.5
199.13406	0.6
205.15898	0.3
206.35893	0.2
207.10503	0.4
207.13956	0.8
209.11853	2.6
210.12173	0.3
211.13438	1.2
214.91133	0.2
215.12944	0.8
218.16794	0.3
219.17780	0.2
221.15546	0.4
225.11371	0.7
227.12871	0.4
228.13663	0.3
229.14552	0.3
231.17445	0.3
237.22287	0.3
240.13556	0.6
241.14476	0.4
245.19095	0.4
247.20720	5.5
247.23169	0.4
248.21051	0.8
263.20203	0.6
265.21780	0.5
273.18610	2.2
281.21274	1.0
289.18289	0.6
291.19748	38.4
292.20120	3.4
293.21213	0.8
307.19266	1.2
308.19650	0.3
309.20795	100.0
310.21127	9.1
311.22302	2.3
312.22675	0.3
325.20343	1.3
327.21841	31.0
328.22214	2.6
429.30362	0.3
464.29520	0.2
491.33652	0.4
492.50000	0.2
509.34943	0.6
583.39783	0.6
601.32306	0.4
601.41235	3.6
602.41437	0.7
619.42346	6.1
620.42688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66135	0.6
58.00489	1.7
59.01267	28.7
60.01582	0.7
61.98722	1.7
70.28216	2.6
70.87122	0.7
71.01275	17.8
72.99200	1.9
73.02853	0.7
76.01823	1.4
78.95821	1.0
83.01283	0.7
85.02850	3.0
87.00801	1.2
89.02340	16.5
95.01301	1.2
95.04954	0.8
101.02348	8.0
101.44219	0.7
107.04932	0.8
108.02153	0.7
109.02913	0.7
113.02341	5.6
118.02903	16.8
119.01244	0.8
119.03409	5.2
121.02885	3.7
121.06522	3.5
135.00839	4.2
136.01590	8.2
137.02420	11.2
146.02423	92.1
147.03217	36.2
147.04245	0.4
148.04010	6.6
149.04366	0.8
153.01895	0.8
161.01132	3.5
162.01929	38.4
163.02249	1.8
163.19200	0.6
165.12665	0.9
172.03970	0.6
175.11307	1.3
179.05582	1.2
200.03357	0.7
237.11330	6.3
238.11673	0.7
259.95700	0.6
265.16058	0.9
271.13400	0.7
277.18243	1.5
291.19955	0.9
297.06219	1.6
301.14697	0.8
309.15097	0.7
310.14456	0.7
325.08072	1.0
326.14188	0.8
340.15454	0.9
367.22772	0.7
393.20837	2.8
411.21780	5.6
420.21896	13.6
421.22314	1.9
429.22794	2.2
438.22998	21.0
439.23294	2.7
618.29285	100.0
619.29736	17.2
649.82813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58198	1.1
57.03336	2.2
57.35274	1.1
57.87864	1.1
59.01266	7.9
61.98714	4.2
69.03370	1.3
71.01266	8.7
71.53887	2.3
73.02850	4.8
81.03355	1.7
83.04913	3.1
84.02048	1.2
85.02871	3.7
89.02349	2.2
97.02856	2.4
97.06496	2.2
101.02340	14.3
104.59060	1.2
105.66991	1.3
109.06528	1.4
115.65350	1.2
123.00810	2.9
125.02415	7.7
125.09650	6.6
127.07560	7.7
128.76109	1.3
135.08121	1.5
137.09601	1.5
139.07593	3.3
146.02417	1.7
153.09169	7.3
155.10770	1.6
161.09692	3.3
163.07594	2.2
163.11247	4.5
164.23654	1.4
165.12837	2.9
171.10243	15.9
177.09424	1.3
178.09972	2.0
179.10764	1.5
185.11826	16.2
191.14412	2.8
197.11826	10.5
207.10225	3.2
209.11832	55.0
209.13809	2.8
210.12231	4.4
221.08249	1.3
221.11777	2.0
225.11336	1.7
235.13460	1.9
236.10324	1.8
236.96815	1.1
238.12080	3.1
245.19107	5.9
247.20616	2.1
250.03729	1.8
253.14462	2.4
256.13126	1.4
262.11783	1.3
269.19165	2.8
280.12991	1.6
281.21402	1.5
287.20224	2.8
289.18176	12.7
291.19711	18.3
292.19946	1.6
295.16995	1.3
304.45593	1.4
305.17679	4.0
305.21533	1.3
307.19266	51.8
308.19601	4.6
309.20834	14.3
310.21185	2.3
313.18259	3.9
325.20294	100.0
326.20749	9.8
331.19284	15.6
332.19672	2.7
349.20340	7.9
367.21341	7.0
397.22430	26.4
398.22647	4.3
414.67963	1.4
427.23511	56.9
428.24081	5.8
487.25647	44.5
488.25925	8.1
502.87305	1.3
619.32990	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	618.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03345	0.6
58.00484	1.2
59.01267	36.7
61.98734	0.4
67.17200	0.4
69.09759	0.4
69.96558	2.2
71.01271	31.2
72.01620	0.8
72.99207	2.4
73.02849	0.9
74.93374	0.4
81.03359	0.4
83.01276	1.0
85.02845	5.2
87.00777	3.7
89.02341	45.8
90.02684	0.4
93.03386	1.0
95.01298	2.2
97.02859	1.1
98.19928	0.7
101.02350	17.8
109.06480	0.5
113.02361	13.1
113.85510	0.5
119.03425	21.7
120.03786	0.5
121.02876	27.6
122.03218	1.0
123.04459	1.0
125.02399	0.9
125.09655	1.2
131.03479	2.7
135.04460	0.5
137.02330	0.7
137.09645	0.7
140.83498	0.4
141.12825	0.5
143.03448	5.1
146.02420	100.0
147.02773	4.1
149.04497	2.5
156.25351	0.4
161.04501	7.3
163.03902	0.5
163.11223	2.3
165.12794	0.9
171.10255	0.7
177.12872	0.6
177.91734	0.4
179.05580	36.7
180.05844	1.0
181.12466	0.5
185.11766	1.5
191.14326	2.1
198.56723	0.4
205.55392	0.4
207.10237	0.7
209.11783	1.0
209.93959	0.5
225.11317	0.9
245.19139	5.1
247.20706	0.6
271.16962	0.8
289.18164	27.0
290.18488	1.8
291.19876	2.8
307.19226	55.3
308.19543	5.5
309.20908	2.2
343.15817	0.9
400.22528	0.9
429.22876	0.6
438.22662	0.7
443.44937	0.4
618.29346	40.4
619.29626	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	617.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	3.5
59.01263	3.2
64.19440	0.9
66.01746	0.9
68.31057	0.9
68.93086	1.2
69.03358	1.1
71.04388	2.4
73.02849	1.0
76.15506	1.0
78.95796	1.7
80.02549	1.4
81.03337	1.9
83.01276	2.7
83.04903	3.6
95.04931	2.1
97.02866	2.4
97.06472	3.2
98.03638	1.3
107.04898	1.2
107.92472	1.1
109.06497	1.9
111.08074	1.7
113.09677	1.0
115.07531	2.3
121.06532	1.3
123.04428	2.6
123.08087	2.1
125.05945	1.6
125.09647	8.7
127.07570	3.6
127.11225	1.6
135.08095	3.4
137.09642	2.8
139.11205	1.4
141.05537	1.6
141.09113	1.4
151.11214	2.8
152.99513	1.4
153.09109	5.4
153.12781	2.8
155.10750	7.1
161.09685	1.2
163.11249	6.5
165.12793	7.1
167.10722	2.3
171.10262	9.9
179.14357	1.3
181.12292	4.1
183.13844	2.2
185.11815	6.6
191.10716	1.0
191.14362	5.3
193.12218	1.1
193.15996	1.6
197.11859	5.9
199.13344	1.3
207.10204	3.8
207.13744	1.7
209.11829	28.2
211.13387	2.2
214.91959	1.0
215.12871	2.7
217.15913	1.8
225.11310	4.4
227.12880	4.2
229.14426	4.2
245.19106	9.5
247.20741	7.8
263.20169	2.7
273.18817	2.1
281.20941	1.4
287.16672	1.4
289.18176	45.6
290.18454	4.0
291.19748	53.2
292.20065	4.9
293.21277	1.7
305.17654	9.8
307.19238	55.9
308.19608	5.5
309.20801	100.0
310.21097	9.3
311.22269	4.0
323.18735	4.0
325.20316	17.2
326.20514	2.1
327.21884	13.6
328.22098	1.4
386.50357	1.1
471.31033	1.1
519.33533	1.5
581.38586	2.8
599.39691	6.2
617.40906	4.7
618.41241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18383	0.6
57.03322	1.4
59.01282	3.1
67.19897	0.6
67.54716	0.6
69.03331	1.3
71.01242	0.6
78.95770	2.1
80.02555	1.0
81.03327	2.2
83.04897	1.8
95.04922	1.5
97.02825	2.2
97.06472	1.9
99.04375	0.7
106.04146	1.1
109.02904	0.9
109.06459	1.2
111.08074	8.5
121.06499	1.3
123.04446	3.1
123.08036	2.3
125.09638	5.1
127.07538	2.0
135.08101	3.4
137.02336	1.0
137.05873	0.7
137.09676	2.9
141.05524	4.2
141.09105	1.4
141.12671	1.0
149.09662	0.7
151.11212	2.0
152.99516	1.7
153.09154	10.7
153.12761	0.8
161.09639	1.1
163.11269	5.8
165.12773	1.8
169.12311	4.0
171.10246	13.0
177.12791	1.2
181.12276	2.3
183.13832	1.6
185.11835	6.8
191.14397	8.9
193.12358	1.3
197.11819	35.8
198.12131	2.4
199.13309	1.7
202.66090	0.7
207.10277	3.8
209.11829	8.1
211.13472	5.4
212.13710	0.7
217.15936	1.0
225.11371	3.6
227.12891	1.3
238.12102	0.6
245.19141	21.2
246.19423	1.0
247.17024	1.2
263.20224	2.7
265.18161	1.1
267.70773	0.7
271.17123	1.7
279.19849	0.6
287.16882	0.9
289.18173	80.5
290.18491	7.2
291.19684	7.9
307.19235	100.0
308.19534	10.8
309.20795	40.5
310.21213	4.1
325.20300	28.3
326.20554	2.9
427.28397	0.7
428.50687	0.6
433.64520	0.6
445.29639	1.4
533.43451	0.7
540.01160	0.6
578.09314	0.7
581.38336	3.5
599.40051	4.6
617.40948	3.7
618.41345	0.8
631.07642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38372	0.4
57.03329	1.9
59.01256	1.5
61.22340	0.4
61.98693	0.5
62.95825	0.5
66.07694	0.5
69.03363	0.6
71.01276	3.1
71.04910	1.3
71.57926	0.8
72.02058	0.8
73.02825	0.6
80.02575	1.5
81.03359	1.1
83.04922	6.4
84.02050	2.6
85.02862	1.0
88.19794	0.4
95.04939	1.1
97.02876	0.9
97.06493	2.3
99.04392	0.6
99.08040	2.7
107.04893	0.5
108.02065	1.3
109.06505	1.5
111.08057	1.6
113.09629	1.5
115.07567	2.6
123.04446	0.5
123.08083	0.9
124.05203	0.5
125.06028	1.0
125.09655	4.8
127.07575	12.1
127.11225	0.6
135.08092	1.5
137.09653	1.7
139.07594	3.8
141.09129	1.2
141.12869	0.5
151.11185	1.0
153.09116	3.4
153.12785	0.7
155.10748	3.5
163.11258	5.2
165.12811	6.7
167.10660	0.5
167.14346	0.5
168.06897	0.5
171.10225	4.1
175.11195	0.5
178.09946	4.3
179.10709	0.8
181.12334	2.2
183.13966	0.4
185.11790	13.5
186.12140	0.7
189.98940	0.4
191.10730	2.4
191.14349	0.8
193.12257	0.6
195.13861	1.0
197.11829	16.6
198.12164	1.1
199.13330	0.5
207.10292	1.1
209.11827	83.6
210.12164	5.5
211.13402	1.3
217.16029	0.9
219.10310	0.9
221.15367	0.7
225.11380	0.9
227.12933	1.1
236.10509	2.4
237.11273	2.8
238.12144	5.2
239.12634	0.8
239.16388	1.0
245.19171	3.0
247.20665	2.8
253.18388	1.1
255.12418	1.0
256.13223	1.8
261.18829	0.7
263.20273	1.5
265.18121	1.3
273.18607	1.4
279.19684	1.7
281.21216	0.7
285.24304	0.6
289.18167	9.4
290.18561	0.9
291.19736	32.2
292.19989	3.0
297.20673	0.6
307.19220	100.0
308.19543	9.4
309.20789	74.5
310.21167	6.4
325.20267	90.5
326.20694	8.5
375.25342	1.2
381.13187	0.5
399.25470	1.0
473.32831	1.2
483.31482	1.2
563.38025	0.6
581.38538	10.2
582.39087	2.3
599.39594	9.3
600.40106	1.5
617.40796	11.9
618.40656	2.7
638.13354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.9
59.01254	2.7
69.03324	1.0
70.67680	0.5
70.71656	1.9
71.01270	0.8
71.04909	1.1
73.14654	0.7
75.37949	0.6
78.95795	1.2
80.02579	1.6
81.03352	3.0
83.04914	1.2
84.96905	0.5
85.06572	0.5
95.04932	2.0
97.02843	2.8
97.06498	2.7
99.04414	0.8
106.04131	0.7
109.02861	1.0
109.06491	2.5
110.03631	0.7
111.08050	0.6
112.05233	0.9
113.06026	0.8
121.06441	0.8
123.04435	3.9
123.08102	2.0
125.06018	1.4
125.09645	7.6
127.07593	1.2
135.08109	3.4
137.06010	0.8
137.09639	2.9
141.05516	3.9
141.09163	1.4
141.12781	1.9
142.02647	1.1
149.05966	0.7
149.09610	1.2
151.11203	1.3
152.99521	1.4
153.09167	10.5
153.12837	1.2
154.09575	0.9
161.09622	0.6
162.10411	0.7
163.11253	9.0
163.33322	0.5
165.09166	1.5
165.12817	6.7
166.09872	0.7
167.10748	1.0
171.10228	15.2
172.10500	0.7
177.12843	1.6
178.09978	1.1
179.10733	1.0
179.14392	1.6
181.12318	3.4
183.13971	0.7
185.11781	8.0
191.14378	9.0
193.12372	0.8
193.15945	1.9
197.11850	2.9
207.10255	4.2
207.13795	0.7
209.11827	11.3
211.13422	1.3
217.16032	1.9
219.13902	0.7
221.11882	0.8
223.13359	2.0
225.11362	3.7
227.12834	0.9
238.11845	0.5
243.17584	0.7
245.04372	0.9
245.16714	1.0
245.19150	18.4
246.19431	1.3
247.17032	0.9
247.20650	6.0
247.49184	0.6
248.20918	0.7
261.18671	0.8
263.20206	0.9
271.17059	2.1
273.18732	1.0
289.18164	73.1
290.18521	6.6
291.19739	45.2
292.20050	4.3
292.38541	0.6
307.19226	100.0
308.19592	8.7
309.20782	75.1
310.21152	7.2
325.20273	34.3
325.24194	1.1
326.20630	3.2
327.21820	0.7
393.44623	0.6
412.66327	0.7
427.28812	1.0
581.38464	4.0
599.39551	5.4
600.39716	1.1
617.41046	3.3
618.41461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14938	0.4
51.67548	0.4
57.03308	1.5
58.00465	0.6
59.01262	2.2
61.98735	0.4
66.93800	0.5
69.03318	0.6
69.30330	3.5
69.30746	1.4
71.01264	0.7
78.83616	0.5
78.95760	1.4
80.02548	1.1
81.03323	1.7
83.04898	1.3
92.98920	0.5
95.04906	2.1
95.90214	0.4
97.02826	1.7
97.06472	1.5
98.20589	1.1
99.04356	0.7
106.04142	0.6
107.04890	0.6
109.02843	0.6
109.06462	1.8
110.03600	0.6
111.08060	7.3
112.05207	0.7
119.21389	0.5
121.06498	0.7
123.04408	2.0
123.08038	1.4
125.05962	0.9
125.09660	6.0
127.07549	1.3
135.08058	2.9
137.05981	0.5
137.09657	2.8
139.07524	0.7
141.05521	3.9
141.09114	1.3
141.12770	0.8
148.08817	0.6
149.05994	0.8
151.11212	1.3
152.99503	2.5
153.09152	9.2
153.12787	1.1
155.10709	0.7
160.08836	0.8
162.10451	0.6
163.07603	0.9
163.11255	6.0
165.12798	1.0
167.10695	0.6
169.12347	3.5
171.10223	12.0
172.10568	0.6
177.12799	0.9
179.10718	1.0
179.32652	0.5
181.12288	1.6
183.13861	1.0
185.11797	6.8
186.12343	0.6
187.09644	0.7
191.14389	8.7
193.12289	0.8
194.81508	0.4
195.13824	0.5
197.11815	35.6
198.12146	2.0
199.13380	0.9
207.10294	3.9
209.11832	8.2
209.15553	0.6
211.13423	4.3
217.15947	0.9
225.11330	3.9
227.12825	1.6
238.48041	0.5
243.17606	0.8
245.04497	0.8
245.19128	18.8
246.19536	1.6
247.16930	0.8
255.12437	0.5
255.23242	0.5
261.18524	0.7
263.20230	2.1
265.18106	0.8
265.46030	0.5
271.17145	1.3
274.15363	0.5
279.19724	0.9
289.18164	73.6
290.18509	7.0
291.19739	7.5
292.87036	0.5
307.19223	100.0
308.19550	8.6
309.20795	33.4
310.21164	3.5
325.20276	28.3
326.20309	2.6
427.28937	1.6
481.26443	0.9
581.38342	3.1
599.39673	4.6
617.40698	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	617.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38354	0.2
57.03346	1.3
59.01258	0.8
66.37222	0.3
69.03336	0.5
70.35455	1.1
71.01273	0.7
71.04898	0.6
78.95822	0.2
80.02560	0.4
81.03360	0.8
83.04922	1.7
84.02046	0.8
85.02847	0.3
85.64606	0.3
95.04932	0.5
97.06507	0.9
98.03709	0.3
99.04403	0.3
99.08057	0.7
106.04183	0.5
106.60073	0.3
107.04911	0.3
109.06515	0.7
111.08084	1.6
113.09650	0.3
115.07576	0.7
123.08101	0.4
125.06001	0.4
125.09671	1.7
127.07594	3.1
127.11214	1.4
135.08083	0.6
137.09665	0.5
139.07599	0.9
139.11208	0.4
143.51418	0.3
151.11214	1.2
153.09163	1.8
153.12793	2.3
155.10727	1.7
163.11276	1.6
165.12810	1.4
167.10770	1.3
169.12297	1.0
171.10196	1.0
177.09164	0.3
178.09912	0.9
179.10643	0.4
179.14337	1.1
181.12271	2.5
183.13904	0.5
185.11810	3.6
191.10727	0.7
191.14406	0.3
193.15942	0.5
197.11819	6.3
198.12401	0.4
199.13391	0.6
207.10326	0.5
207.13893	1.1
209.11839	20.6
210.12202	1.3
211.13423	1.0
215.12868	0.9
219.10214	0.4
225.11302	0.5
225.70824	0.2
227.12894	1.2
228.13397	0.5
236.10492	0.3
237.11299	0.8
238.12117	1.6
241.14418	0.3
245.19049	1.2
246.19543	0.3
247.20697	2.8
248.21165	0.4
256.13211	0.7
263.20258	1.0
265.17947	0.3
265.21799	0.4
273.18732	1.4
277.08575	0.3
279.19638	0.4
281.21335	1.2
289.18167	4.4
290.18518	0.6
291.19730	22.2
292.20026	1.9
307.19223	28.6
308.19589	2.7
309.20792	100.0
310.21161	9.7
325.20267	23.0
326.20602	2.3
352.56989	0.3
391.24918	0.4
403.28638	0.5
459.31183	0.4
471.31445	0.8
483.31659	0.4
489.32162	0.8
581.38696	4.7
582.38885	1.1
599.39758	4.6
600.40088	1.1
617.40784	6.3
618.41205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.5
61.98716	7.9
70.43345	1.0
71.01273	3.4
71.52571	1.7
78.95795	3.2
85.02851	1.4
87.00764	1.3
89.02350	1.7
94.06530	2.8
96.95925	13.2
96.96872	2.2
97.81009	1.0
98.95491	1.3
101.02373	2.2
105.05732	2.2
106.42072	1.0
107.03684	2.2
109.02894	1.2
110.06047	5.1
112.92052	1.0
118.06563	2.3
120.08113	65.8
121.02908	1.6
121.05248	7.2
121.08421	2.2
122.06045	51.2
123.06390	1.6
125.02359	3.1
134.06033	1.8
136.07596	2.5
137.02414	1.4
137.04753	2.5
139.06273	1.2
143.04541	1.2
144.04431	1.2
145.05063	1.1
146.06085	5.8
146.09689	2.4
152.07089	2.5
153.01912	2.1
164.07121	5.6
171.10236	3.0
175.03922	2.4
179.05629	1.5
181.01398	1.9
183.93510	1.1
193.05077	2.2
195.06604	1.1
201.61955	1.1
209.11810	3.4
225.07956	1.4
225.10201	1.0
225.13910	2.4
237.10379	7.7
238.11086	2.3
239.08287	1.3
239.11861	2.4
241.13472	1.6
243.15073	3.4
251.11958	14.1
252.12651	6.0
253.13365	4.1
255.11372	3.0
265.13486	13.5
266.14297	9.2
267.11493	2.9
267.15067	23.2
268.15497	2.0
269.13010	1.8
269.16510	1.6
279.08923	1.0
280.12152	1.1
281.12909	2.5
285.12524	3.5
287.14078	10.7
295.63199	1.1
298.13321	7.1
300.11166	3.5
309.12503	1.4
311.13916	1.3
343.11594	1.5
348.17188	2.5
358.15619	1.6
360.17194	3.4
374.18735	3.3
376.20398	4.7
378.18323	1.5
388.20499	11.1
389.20917	1.3
406.21268	3.2
408.19702	1.2
420.19443	3.7
432.19452	10.9
433.19705	1.5
438.20462	1.4
450.20462	52.2
451.20871	15.4
543.26337	6.2
555.26318	20.6
556.26208	2.5
573.27344	100.0
574.27661	20.8
599.24847	1.5
617.15112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78159	0.7
56.56440	0.6
57.03334	1.7
59.01250	2.4
70.86955	1.4
71.01266	0.8
71.04907	1.2
80.02597	0.9
81.03345	2.0
83.04926	2.4
84.49113	0.7
95.04927	2.7
97.02866	2.2
97.06491	3.3
99.04402	0.9
104.58133	0.7
106.04139	1.2
107.04956	1.2
109.06519	1.3
111.08083	0.9
113.09660	2.3
115.07604	0.8
120.20792	0.7
121.02858	0.9
121.06482	1.0
123.04440	2.4
123.08018	1.2
125.05978	1.0
125.09666	4.9
126.06835	0.9
127.07584	1.3
130.24242	0.8
135.08095	3.8
137.09654	2.1
139.94200	0.7
141.05515	4.8
141.06512	0.7
141.09198	3.5
149.09671	1.3
150.10475	0.9
151.11276	1.4
153.09181	8.8
153.12819	0.8
163.11217	5.5
165.09254	1.1
165.12733	4.6
167.14334	1.8
171.10217	10.7
172.10593	1.0
177.12770	1.4
181.12358	4.1
183.13853	1.4
185.11829	7.3
191.14378	7.6
193.12393	1.1
195.13887	2.0
197.11794	2.0
203.14441	0.8
207.10303	2.9
209.11836	9.9
211.13356	3.9
213.14847	0.9
217.16013	1.1
221.15384	1.8
225.11287	2.3
227.12883	1.0
240.13722	1.6
245.19135	17.9
246.19582	1.1
247.16966	0.9
247.20715	2.7
263.20258	1.3
271.17197	1.3
273.18704	2.3
281.21295	1.8
289.18173	71.9
290.18445	6.8
291.19751	23.9
292.19995	2.2
297.20883	0.8
307.19235	100.0
308.19562	8.3
309.20801	91.2
310.21170	9.9
325.20294	32.7
325.24146	1.6
326.20578	2.8
389.26746	0.9
427.28748	1.1
445.29614	1.3
461.55695	0.7
581.38672	3.5
599.39795	4.1
600.40204	1.8
617.41254	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	616.278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.5
57.03341	0.5
58.00484	1.7
58.83912	0.2
59.01268	32.6
60.01609	0.4
61.98731	0.4
62.73784	0.2
64.01797	0.4
71.01274	20.1
71.53699	0.3
72.01603	0.4
72.99208	2.2
73.02842	0.7
76.01810	1.8
80.02571	0.3
82.95403	0.2
83.01294	1.1
83.04939	0.8
85.02846	4.2
87.00780	0.9
89.02343	15.4
93.03382	0.3
95.01292	1.9
95.04942	0.5
99.00787	0.3
101.02354	8.5
101.03009	0.5
107.04955	0.7
108.02096	0.5
109.02877	1.2
111.04436	0.5
113.02354	5.9
118.02907	16.2
119.01313	0.3
119.03429	5.3
121.02882	3.5
121.06518	4.0
122.03684	1.1
123.04440	0.3
125.02332	0.5
131.03539	0.7
132.04469	0.6
135.00827	0.7
135.04503	0.4
136.01601	4.3
137.02386	13.8
137.05991	0.3
138.02745	0.5
143.03413	0.6
144.04495	0.7
146.02423	100.0
147.03229	17.5
147.08061	0.3
148.03999	5.1
149.04483	0.5
151.45805	0.2
157.10248	0.3
159.03220	0.4
161.01126	0.6
161.04576	0.5
162.01921	9.6
163.02367	0.4
163.11253	0.7
165.12755	1.7
172.04015	0.3
173.09695	0.5
175.11270	2.6
177.09204	0.3
179.05634	1.5
181.12299	0.4
183.06883	0.9
187.07462	0.3
191.10776	0.9
191.14323	0.3
193.12306	0.7
198.09215	3.7
200.03510	0.4
208.07594	1.3
209.11900	0.7
210.05585	0.4
213.05852	0.2
219.10309	1.8
227.14349	0.4
235.09735	1.2
237.11345	11.0
238.11720	0.9
252.06697	0.5
289.18155	1.0
297.06400	0.5
301.14459	0.3
303.15756	0.4
321.22256	0.4
325.08084	0.3
339.12473	0.3
347.20291	0.9
365.21127	0.5
366.13556	0.3
367.14398	1.1
373.18039	0.4
381.21094	0.3
391.19284	1.6
400.19324	0.3
409.20325	3.6
410.20441	0.3
418.20392	5.0
419.20920	0.6
427.21350	2.0
436.21396	12.4
436.27426	0.6
437.21848	1.8
616.27783	99.3
617.28149	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	616.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
55.65020	0.5
57.03324	0.5
58.00475	0.7
59.01265	9.9
61.98715	0.8
65.99758	0.7
68.99698	0.6
71.01273	15.7
72.99225	0.9
73.02852	2.3
76.01820	1.0
78.95792	0.6
81.03391	0.7
83.01292	1.4
85.02848	6.1
87.00795	0.9
89.02335	5.2
92.01301	0.8
93.03360	0.5
95.01307	2.4
97.02881	0.5
99.00794	1.3
101.02351	6.7
104.01315	0.8
105.02110	0.7
107.04929	0.8
107.17336	0.4
108.02049	3.4
108.21117	0.5
109.02864	1.7
113.02367	4.8
116.34077	0.4
117.02139	1.5
118.02925	3.3
119.02676	0.5
119.03398	2.4
120.00828	3.9
121.02888	1.0
121.06522	0.7
122.02397	1.5
123.00812	0.5
127.07564	1.7
133.01637	4.9
134.00127	0.5
134.03691	0.7
135.04468	0.9
136.01601	49.1
137.02391	42.4
138.02742	1.0
145.02950	0.5
145.06592	0.5
146.02432	11.8
146.03481	0.4
147.03221	5.1
148.03975	1.3
150.03142	0.7
151.03955	0.9
152.01093	0.7
152.99557	0.7
153.09158	0.7
159.03134	1.1
159.04442	0.5
161.01144	66.8
161.04514	2.9
162.01878	5.1
163.04033	0.6
164.01117	0.7
165.01880	0.5
166.02702	0.5
171.10321	0.6
172.03993	0.8
173.06012	0.5
178.76169	0.4
179.05652	0.6
185.06134	0.5
187.04010	0.8
187.07639	0.5
190.97386	0.5
215.03416	0.8
221.04576	0.7
224.07198	1.5
229.12373	1.5
237.11308	1.6
240.10210	0.6
243.13954	6.2
252.63933	0.5
255.13977	2.4
256.09912	0.8
271.13440	9.0
272.13843	0.9
287.12921	1.1
299.12933	1.2
300.12753	0.6
313.14902	0.5
314.14059	1.4
315.12454	2.7
324.12299	0.5
326.14136	2.2
342.13458	5.2
367.14380	0.5
391.19263	0.9
409.20303	2.6
418.20364	3.0
419.20779	0.8
427.21356	23.4
428.21606	4.0
436.21490	6.3
437.21896	0.6
442.57510	0.5
454.22510	5.3
455.22974	0.8
469.22238	1.4
537.28571	0.5
583.10291	0.5
598.27441	0.6
616.27795	100.0
617.28101	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	616.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74494	0.6
56.74957	0.6
57.03344	1.1
59.01268	6.1
61.98717	2.8
65.99745	1.3
69.65157	3.4
70.68716	0.6
71.01274	10.3
72.99178	1.1
73.02849	1.5
78.95798	0.9
83.01295	1.1
85.02856	4.3
89.02345	3.0
90.30495	0.6
92.01326	0.7
95.01288	1.7
95.46172	0.5
98.20533	1.1
99.00777	0.9
101.02348	5.5
101.32273	0.6
104.01324	0.7
108.02075	2.1
109.02861	1.4
112.89343	0.6
113.02389	2.8
117.02107	1.4
118.02901	2.7
119.03417	1.5
120.00832	4.0
121.02872	1.2
122.02383	2.0
123.00764	0.7
127.07581	1.1
133.01616	3.9
134.03653	0.8
135.00818	0.7
135.04443	0.8
136.01598	43.4
137.02385	44.3
138.02744	1.8
141.14178	0.6
146.02423	12.2
146.03568	0.4
147.03261	3.4
150.03214	1.3
152.99493	0.8
161.01138	66.6
162.01819	4.4
164.01125	0.9
165.01857	0.9
171.10226	1.4
229.12248	1.0
243.13950	5.6
255.13928	1.3
256.09903	1.0
271.13422	8.4
287.12964	1.3
296.04742	0.6
310.10672	1.0
314.14185	1.7
315.12500	3.8
317.14063	1.1
326.13940	2.0
342.13556	3.8
343.14001	0.9
375.84134	0.7
409.20325	1.7
418.20416	1.0
427.21332	17.4
428.21722	1.9
436.21530	1.8
454.22516	4.3
469.22430	0.9
616.27789	100.0
617.28137	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	616.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09235	0.4
55.01759	0.7
57.03338	1.0
58.00486	0.9
59.00988	0.8
59.01269	10.9
61.98718	0.8
65.99734	1.3
68.04221	0.4
70.51093	0.4
70.86359	0.6
70.86705	0.9
71.01276	16.5
72.01608	0.5
72.99211	0.8
73.02842	3.3
74.33891	0.4
75.00786	0.5
76.01813	0.9
83.01286	2.0
85.02851	6.4
87.00793	0.7
89.02333	6.2
92.01334	0.7
95.01305	2.3
99.00790	1.3
101.02354	7.7
104.01328	0.8
104.80292	0.4
105.02151	1.0
107.04979	0.8
108.02097	3.0
109.02861	1.6
113.02355	5.9
117.02152	2.8
118.02879	2.4
119.03422	2.4
119.04913	0.5
120.00816	4.0
121.02883	1.6
121.06477	1.0
122.02397	1.5
123.00804	0.9
127.07587	1.6
133.01628	5.1
134.03683	0.9
135.04451	0.6
136.01599	51.0
137.02391	41.2
138.02759	1.3
146.02420	13.8
147.03236	5.1
148.03993	0.9
149.02434	0.5
151.03999	0.8
152.01163	0.7
159.03088	1.1
161.01143	64.9
161.04495	3.2
162.01892	5.7
164.01122	0.7
165.01927	1.2
165.85181	0.4
171.10251	0.6
172.03998	0.7
173.02498	0.6
176.01143	0.6
179.05626	0.7
198.05585	0.6
198.09285	0.9
215.03500	0.6
221.04591	0.8
224.07291	1.1
229.12292	0.9
237.11346	1.6
243.13948	6.4
244.14273	0.5
255.13934	2.3
256.09943	0.9
271.13492	8.7
272.13889	0.8
287.12949	0.7
299.12872	1.4
310.10825	0.9
314.14352	1.1
315.12515	3.8
316.12790	0.8
317.14084	1.1
326.14081	2.5
342.13535	4.5
357.13437	0.6
383.22104	0.5
409.20224	1.9
418.20422	3.2
419.21045	0.6
427.21368	23.1
428.21835	2.8
436.21423	5.4
437.21536	0.6
454.22385	5.6
455.22778	0.6
469.22437	1.4
500.58844	0.5
616.27808	100.0
617.28064	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	616.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42347	0.4
55.01770	0.6
57.03337	0.7
58.00482	1.8
59.01269	34.7
61.98700	0.4
62.72322	0.4
62.91642	0.4
66.06078	0.4
71.01275	19.9
71.01672	1.0
71.52219	1.0
72.99199	1.5
73.02834	0.7
76.01836	1.9
81.87145	0.4
83.01279	0.6
83.04939	0.5
85.02843	3.1
87.00783	0.4
89.02344	14.8
95.01301	1.6
101.02354	8.1
101.23556	0.4
107.04890	0.8
108.02029	0.7
109.02876	1.8
111.04387	0.5
111.99117	0.4
113.02370	4.6
118.02915	16.8
119.03424	5.4
121.02888	3.6
121.06525	3.9
122.03656	0.7
125.02343	0.5
132.04498	0.5
135.00832	0.5
136.01595	4.4
137.02397	12.7
137.06038	0.7
138.02715	0.6
143.03477	0.7
144.04526	0.5
146.02426	96.4
147.03235	17.0
148.04016	6.0
149.04466	0.6
161.04515	1.0
162.01924	7.7
163.02304	0.6
165.12830	1.6
175.11208	2.6
179.05573	1.1
183.06839	0.6
187.02682	0.6
187.07677	0.6
191.10786	1.2
193.12360	0.8
198.09268	3.1
208.07663	1.2
208.62361	0.4
209.11794	1.0
212.96182	0.4
219.10185	2.2
235.09782	0.9
237.11354	9.0
238.11676	1.0
239.10741	0.5
252.06599	0.5
275.16855	0.6
305.18280	0.5
347.20386	1.0
365.21378	0.7
367.14359	1.1
374.21497	0.7
381.21176	0.5
391.19223	1.5
409.20432	3.3
418.20340	6.3
427.21225	1.7
436.21396	11.9
437.21808	1.9
449.87454	0.5
616.27808	100.0
617.28186	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	616.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03340	0.5
59.01270	6.5
61.98711	1.3
65.99746	0.9
67.01814	0.6
71.01276	11.5
71.62908	0.8
72.64885	0.4
73.02848	2.1
77.30666	0.4
78.95829	0.5
83.01290	1.2
85.02858	4.7
87.00761	1.0
89.02354	4.0
93.03345	0.9
95.01299	1.4
96.95930	0.7
99.00797	1.1
101.02357	5.1
105.02138	0.8
108.02068	2.4
109.02898	1.1
111.00732	0.5
113.02356	3.8
117.02125	1.8
118.02863	2.9
119.03439	1.4
120.00826	4.6
120.37108	0.4
121.02909	1.2
122.02402	1.9
123.00772	0.8
125.02322	0.6
127.07579	0.8
128.05650	0.4
133.01627	5.4
134.03604	1.3
135.04477	0.6
136.01599	46.5
137.02386	47.5
138.02737	1.6
146.02422	11.6
147.03250	4.1
148.04045	0.7
150.03189	0.6
152.01115	0.5
152.99509	0.7
159.03061	0.5
161.01144	67.9
161.04465	2.6
162.01813	4.2
164.01060	0.7
165.01823	0.6
171.10268	1.0
172.03998	0.6
174.03178	0.6
200.03398	0.5
221.04599	1.0
226.29417	0.4
229.12367	1.0
229.96407	0.4
230.12601	0.4
243.13934	6.6
255.13940	1.6
255.79890	0.4
256.09848	0.8
271.13477	7.8
272.13922	0.7
284.10556	0.6
287.12973	1.9
291.19815	0.6
296.05283	0.5
299.12857	0.6
313.14648	0.5
314.14236	1.1
315.12497	3.4
317.13904	1.1
326.14059	1.7
342.13562	4.0
357.13522	0.7
409.20248	1.4
418.20474	0.8
427.21384	18.9
428.21466	2.0
436.21582	2.2
454.22375	4.0
469.22308	0.7
616.27789	100.0
617.28156	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	616.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
55.32550	0.4
57.03336	1.2
59.01265	8.0
61.98722	2.9
65.99731	0.6
69.03344	0.7
70.82756	0.4
71.01278	8.7
73.02835	1.5
76.01805	0.5
83.01267	0.6
85.02840	3.8
87.00780	0.5
89.02333	3.5
93.03368	1.1
93.36198	0.4
95.01274	2.1
99.00803	0.5
101.02370	4.5
104.01350	0.6
105.02100	0.5
107.04965	0.5
107.96342	0.4
108.02094	4.6
109.02888	0.5
113.02361	3.7
117.02135	1.7
118.02896	1.9
119.03428	1.5
119.04917	0.4
120.00867	3.0
121.02842	0.5
122.02415	1.1
123.00774	0.6
124.01543	0.4
125.09656	1.4
127.07568	0.5
133.01627	3.7
135.00818	1.4
136.01601	83.9
137.02461	8.0
145.02954	0.4
146.02443	6.3
147.03218	12.2
147.04388	1.0
147.05640	0.4
148.03922	0.4
149.02342	0.6
150.03226	1.0
151.00272	0.6
152.01111	0.8
159.03087	1.2
161.01144	44.8
161.04594	1.2
162.01933	8.6
163.02414	0.4
163.03949	0.5
164.01080	0.5
166.02654	0.4
172.04007	2.0
174.03120	0.5
184.04050	0.6
187.04036	0.7
197.04749	0.5
226.05121	1.3
227.14450	0.4
228.10396	0.5
229.12558	0.6
248.10831	0.4
255.13986	0.9
266.11960	0.7
268.13733	0.5
271.13477	4.8
272.13763	0.5
273.15048	4.1
282.11383	3.9
283.11877	0.4
284.10583	0.5
291.19785	0.7
295.12259	1.4
299.12906	0.9
310.10931	0.5
315.12384	2.1
317.13800	0.5
326.14099	1.5
342.13565	2.2
343.14096	0.4
347.20285	0.7
365.20999	2.1
383.22366	6.0
384.22818	0.6
409.20203	2.1
417.30209	0.4
418.20364	2.9
427.21341	22.4
428.21649	2.8
436.21713	2.4
437.22174	0.6
454.22556	4.6
455.22623	0.5
469.22537	0.5
586.68915	0.4
616.27808	100.0
617.28125	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	616.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47230	0.9
57.03332	1.4
59.01266	14.2
61.98715	1.4
70.78178	1.8
70.78548	1.5
71.01276	8.8
72.99198	3.2
76.01829	1.1
78.95775	1.1
81.03280	0.8
83.04926	2.5
85.02845	3.2
87.00803	0.9
87.20761	0.9
89.02345	6.5
95.04937	3.5
97.06512	1.5
101.02352	3.2
104.36472	0.9
105.99420	0.9
107.04935	3.6
109.02861	4.4
111.04382	1.4
113.02358	1.8
118.02908	12.1
118.03682	1.5
119.03457	1.6
120.04693	0.9
121.02897	6.4
121.06521	15.0
122.03654	3.3
123.04447	1.5
125.05991	1.1
132.04468	1.0
137.06038	2.0
144.04529	1.1
146.02423	100.0
147.03239	20.4
147.08119	1.2
148.03995	18.6
149.04396	1.4
151.07666	0.9
153.09166	1.2
154.47931	0.8
163.11305	1.6
165.12811	7.0
171.08115	1.2
171.10222	3.7
173.09697	2.0
175.11226	9.2
177.09198	1.6
179.05568	1.6
181.12326	2.3
183.06830	1.6
185.11769	1.0
187.02670	1.0
191.10794	3.4
193.12332	1.9
198.09253	12.6
200.03516	1.3
204.11375	1.0
207.10236	1.9
208.07657	3.7
209.11844	12.0
213.07863	1.1
219.10266	7.0
225.11310	2.0
235.09758	3.6
237.11342	42.8
238.11734	2.4
239.05919	1.3
263.12866	1.9
266.08459	1.2
289.18170	3.5
303.16010	1.7
305.17630	4.7
307.19205	1.3
323.18628	5.4
325.20444	1.2
347.20084	2.1
359.18738	1.0
365.20602	2.2
367.14392	3.0
373.18127	2.0
391.19540	5.7
392.22470	1.2
395.20676	2.4
398.21176	2.0
400.19385	2.4
409.20264	12.6
410.20578	1.6
418.14655	1.5
418.20392	31.7
419.20819	4.3
425.21851	2.5
436.21381	71.5
437.21835	9.4
465.41406	0.9
485.23785	2.5
578.01282	0.9
616.29785	1.8
617.30634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23433	0.5
50.44565	0.5
57.03343	4.1
59.01275	2.8
61.57201	0.5
63.85978	0.7
67.01751	0.6
69.03345	1.9
71.01277	0.6
71.04897	1.2
71.53415	1.0
78.95782	0.9
80.02569	1.7
81.03352	3.3
83.01272	2.4
83.04929	3.8
85.78918	0.5
93.03349	0.9
95.04930	3.4
97.02852	3.6
97.06477	4.9
99.04430	1.1
100.71430	0.5
101.21382	0.5
106.04160	1.8
107.04939	2.6
109.02882	0.6
109.06509	2.7
110.03616	1.1
111.08080	1.3
112.05204	0.6
113.05971	1.6
119.04999	0.6
121.06535	2.6
123.04457	5.8
123.08080	3.2
125.05964	1.6
125.09657	13.0
126.09947	0.6
127.07555	1.5
135.08092	5.4
136.05267	0.8
136.08492	0.6
137.06023	1.0
137.09680	5.8
139.11200	0.6
141.05518	3.6
141.09167	1.0
141.12769	1.4
142.02667	1.4
145.06549	0.7
147.08119	0.8
149.06003	1.5
149.09593	0.6
151.07512	0.6
151.11192	1.1
152.99519	1.0
153.09163	11.3
161.09665	1.4
162.10440	0.7
163.07585	0.6
163.11238	11.3
164.11504	0.9
165.09203	1.1
165.12827	3.0
167.10713	0.9
171.10229	13.6
173.09622	0.7
175.84880	0.6
176.08305	0.8
177.12788	1.4
178.09973	1.0
179.10672	1.3
181.12303	2.9
182.52167	0.6
183.13789	1.0
185.11801	12.4
186.12112	0.8
189.12859	0.7
191.10724	2.2
191.14391	12.1
192.14870	0.7
193.12251	0.9
197.11832	4.8
207.10269	7.1
209.11830	41.8
210.12111	2.9
211.13338	2.0
217.15991	1.8
221.11880	0.9
225.11316	7.4
226.11928	0.7
227.12878	2.6
237.11343	0.8
243.17526	2.2
245.19148	24.5
246.19485	2.0
247.13388	0.7
247.17082	0.7
247.20621	0.7
259.13593	0.7
261.18665	1.7
263.20242	1.8
271.17090	3.1
279.19614	1.1
287.16638	3.3
289.18173	90.9
290.18533	8.8
291.19794	2.6
305.17694	21.5
306.18018	1.5
307.19229	100.0
308.19568	10.4
309.20749	8.1
310.21216	1.0
323.18710	11.4
324.19034	1.2
325.20279	28.4
326.20541	3.0
481.30112	1.5
499.30811	1.7
501.31976	0.8
517.32001	1.8
579.37018	2.1
597.38129	8.0
598.38586	2.2
615.39185	5.5
616.39063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19250	1.1
57.03337	3.4
58.86842	1.1
59.01278	3.7
61.34320	1.1
61.98713	1.3
63.65672	1.3
64.61260	1.1
65.25673	1.1
65.84792	1.1
68.13066	1.0
69.03329	1.5
69.29051	13.5
70.22349	1.2
71.01270	2.1
78.95776	1.3
81.03363	2.4
83.04906	5.6
84.28085	1.3
95.01290	1.4
95.04918	2.2
97.02872	3.0
97.06502	3.6
106.04174	1.5
107.04935	4.9
111.08070	2.3
121.02844	1.4
123.04413	3.7
123.08076	2.3
125.06004	2.5
125.09666	10.0
127.11160	1.5
135.08086	5.1
137.09691	2.9
141.05481	1.6
141.09151	1.6
144.80948	1.2
149.09595	2.3
151.11238	5.3
153.09163	9.8
153.12836	4.5
155.10748	2.5
161.02444	2.8
163.11253	7.3
165.12791	5.6
167.10806	1.5
171.10178	6.0
176.08376	1.8
178.09969	1.4
179.10756	2.2
179.14377	1.4
181.12320	6.4
182.67108	1.2
185.11795	6.2
191.10802	4.1
191.14395	4.7
197.11871	7.6
207.10248	4.9
209.11829	47.5
210.12152	4.0
211.13445	2.4
217.15904	2.0
225.11331	5.9
227.13019	5.9
245.19176	11.2
247.20746	3.8
261.18494	2.7
271.17157	1.6
273.18704	2.2
287.16614	7.9
289.18188	49.0
290.18549	3.3
291.19699	24.7
291.22696	2.2
292.20187	3.0
305.17645	40.9
306.17999	4.7
307.19214	54.8
308.19608	5.0
309.20786	100.0
310.21185	9.5
323.18668	15.9
325.20322	15.2
439.31638	1.3
516.20410	1.7
579.37134	4.0
597.38275	8.6
598.38641	2.0
615.39227	7.7
616.39868	2.5
643.47803	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.6
57.80478	0.3
59.01270	2.7
59.01516	0.6
62.34470	0.4
69.03345	0.7
69.50574	3.0
71.01277	0.4
71.04905	0.5
78.95795	0.8
80.02570	0.9
81.03338	1.9
83.04897	1.1
87.85418	0.4
95.04944	1.9
95.05463	0.3
97.02857	3.1
97.06490	1.4
101.69682	0.4
106.04147	0.7
107.04947	0.7
108.02038	0.4
109.02905	0.4
109.06509	2.2
109.46626	0.4
110.03645	0.4
111.08081	0.6
112.05156	0.6
113.05976	0.5
115.07564	0.4
115.77826	0.4
121.06500	1.5
123.04453	4.3
123.08096	2.5
125.05971	0.7
125.09651	6.3
127.07528	1.1
127.11252	0.5
135.04472	0.6
135.08057	3.0
136.05135	0.4
137.05975	1.0
137.09651	4.8
137.10643	0.6
141.05504	3.2
141.09129	0.7
141.12770	1.2
142.02635	0.9
148.08910	0.5
149.06013	1.3
149.09637	0.6
150.10406	0.4
151.11177	0.9
152.99538	0.4
153.09149	7.0
160.08942	0.6
161.09671	1.0
162.10452	0.6
163.07559	1.1
163.10001	0.6
163.11252	7.8
164.08377	0.6
165.09146	0.8
165.12788	1.4
170.89256	0.4
171.10226	12.0
172.10504	0.8
174.10555	0.4
175.11192	0.6
177.12770	1.1
179.10710	1.2
181.12331	2.0
185.11800	9.6
186.12259	0.4
189.12761	0.7
191.14392	10.9
192.14696	0.9
197.11876	2.0
202.13591	0.6
203.14188	0.5
207.10252	5.8
209.11830	5.2
211.13435	1.0
217.15974	1.6
219.13728	0.6
220.45174	0.4
221.11844	0.5
225.11331	5.2
226.11928	0.6
235.20844	0.5
243.17575	1.0
245.19130	22.4
246.19431	2.3
247.17114	0.6
261.18506	0.6
271.16998	2.5
279.19778	0.5
287.16708	0.7
289.18167	93.1
290.18515	9.3
290.21634	0.7
307.19226	100.0
308.19580	10.6
308.84680	0.4
318.96713	0.4
325.20282	24.4
326.20526	2.6
384.61227	0.4
425.27045	0.9
443.28122	0.9
561.35425	0.5
579.37042	2.6
580.36707	0.6
597.38080	3.3
598.38361	1.0
615.39301	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	614.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30240	0.2
59.01262	0.4
61.98719	100.0
71.62287	0.2
71.62717	0.3
71.70440	0.2
77.68379	0.2
96.95922	0.9
109.02908	0.3
119.63554	0.2
123.04529	0.2
125.02369	0.7
127.36682	0.2
134.69948	0.2
135.00876	0.2
138.06880	0.2
139.03922	0.2
150.03178	0.9
151.00342	0.4
153.01886	0.5
161.02408	0.6
162.19493	0.2
165.01842	0.3
165.05560	0.8
169.01366	0.3
171.04504	0.2
178.99887	0.8
195.06664	1.0
198.05615	0.3
217.01399	0.3
226.05107	0.6
233.04752	0.2
360.72354	0.2
412.34183	0.3
417.22040	0.2
419.17499	0.7
434.05142	1.5
493.18475	0.3
523.76501	0.2
551.25238	0.3
579.14673	0.2
614.14899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00195	0.8
58.66706	0.6
59.01261	1.7
61.98721	3.5
63.60965	0.7
65.99737	0.8
69.90628	0.7
71.01273	100.0
71.55406	0.8
71.55804	0.7
72.01611	2.0
78.95788	1.3
81.03334	1.3
82.25346	0.7
85.02856	2.0
95.01276	0.8
107.01355	1.2
108.02095	5.5
109.02886	1.9
113.02374	0.7
117.02151	0.9
120.00843	2.7
121.02863	1.2
123.00816	2.1
125.02369	2.5
127.07677	0.8
133.01657	3.0
151.00313	9.7
152.01105	13.1
152.99570	1.9
153.01752	1.7
161.01140	58.0
162.01898	3.2
165.96733	0.7
171.10162	0.6
173.33102	0.6
192.37085	0.7
194.02206	4.6
208.57269	0.6
212.47382	0.6
216.97250	0.6
291.19849	0.8
355.13535	0.8
382.21158	0.7
425.20029	0.8
443.20828	5.5
444.21408	0.8
452.20914	14.2
453.21252	1.5
485.22162	1.3
614.26154	51.2
615.26447	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	615.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	11.3
61.98715	3.1
71.01267	1.4
71.59735	0.4
72.99165	0.4
73.79300	0.4
74.85799	0.4
78.95788	1.0
79.95612	0.6
85.49603	0.5
89.02350	0.5
94.06509	0.8
96.95908	6.2
96.96857	0.4
101.02368	0.6
106.06528	0.7
110.06016	0.8
110.97517	0.4
120.04516	1.0
120.08121	3.0
121.05289	2.7
122.06045	16.3
123.06416	0.6
125.02314	0.8
128.03464	0.7
134.03687	1.1
134.06071	2.7
135.04439	0.4
136.07619	0.8
136.52197	0.4
148.39906	0.5
151.00308	0.4
159.05589	0.7
160.06375	6.7
163.04010	0.4
170.09785	0.4
171.10225	2.6
183.10190	0.8
193.04996	0.8
197.07237	0.8
198.08041	0.7
198.12764	0.8
202.46692	0.4
207.10245	1.1
209.11757	0.5
211.08731	0.6
213.10333	35.5
214.10716	2.3
225.10484	2.5
226.11124	2.9
237.10219	0.5
239.11928	5.6
240.12201	0.7
241.13492	20.8
242.13811	1.7
251.11960	1.6
252.12567	0.7
255.11440	0.9
257.12985	1.2
265.13556	1.6
266.14017	0.6
267.11783	0.8
267.15024	6.6
268.15265	0.5
285.12512	100.0
286.12827	9.4
306.07886	2.1
311.14139	1.2
314.13025	0.9
329.15417	1.6
342.12424	1.0
342.16141	0.5
343.12912	0.5
344.14041	0.5
344.17776	0.6
358.15762	2.5
359.15588	0.5
370.15479	0.6
371.16492	0.9
372.17346	1.9
386.18988	2.5
387.19434	1.7
430.17627	1.1
431.18298	0.8
439.10635	2.8
481.22867	0.7
497.25323	0.5
499.23688	1.1
509.25571	0.9
527.26648	3.4
528.27234	0.9
541.24927	2.8
542.25134	0.8
553.24768	12.5
554.25055	3.4
571.25739	66.1
572.26123	16.3
572.33228	0.3
597.24231	0.7
615.15894	0.9
615.29608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.8
59.01262	6.8
59.96576	1.1
60.99201	11.5
61.98727	11.9
69.29073	5.8
69.29506	7.7
71.01276	3.1
72.99191	3.0
75.00755	2.0
78.95772	1.2
80.96438	1.3
81.03340	3.3
87.00763	2.5
88.00298	3.5
88.98703	70.3
89.02346	8.1
91.00296	1.5
93.03372	8.6
95.01240	1.5
95.04942	1.6
96.95922	15.5
101.02343	2.2
108.02080	1.4
109.02867	58.0
110.03204	1.9
111.04408	5.2
119.04923	2.3
121.02861	3.5
122.03645	1.7
123.00785	4.5
123.04430	5.6
124.01563	2.4
125.02370	18.2
128.24774	1.1
134.03632	1.2
135.04463	2.7
137.02373	7.2
138.03117	2.2
139.02972	2.2
139.03952	29.9
145.02904	2.6
149.02376	3.9
150.03134	4.7
151.03923	5.1
153.01888	1.5
161.02350	6.1
163.03873	1.7
165.01892	2.8
165.05533	6.4
166.02731	1.6
167.03458	18.2
168.03831	1.3
173.71942	1.3
177.01868	8.3
178.74115	1.1
180.04173	3.0
189.01888	10.1
190.02612	2.0
191.03418	1.2
191.05576	2.6
195.06598	5.8
203.03424	1.6
205.05144	1.4
213.01851	1.4
214.02617	1.4
215.03488	10.2
217.01419	20.1
217.04816	1.3
219.02919	1.9
225.07724	2.0
225.86533	1.4
228.04210	1.4
229.01355	3.3
229.76617	1.3
230.05774	1.8
231.03041	3.1
241.05168	2.0
242.02171	4.7
243.03027	9.7
249.05609	1.7
256.03830	2.4
257.04483	2.2
269.00937	5.8
271.02600	1.6
274.01230	5.8
274.04773	3.6
279.06549	1.4
281.04660	3.1
284.03183	3.9
285.03891	2.5
291.06659	1.4
293.04596	2.3
297.03979	1.9
307.06073	7.8
308.06863	2.9
309.04037	4.7
311.05823	3.3
315.08527	2.1
321.04309	2.4
323.05585	4.0
327.09091	2.7
333.07779	4.2
335.05609	3.1
336.06384	2.2
337.07089	3.5
339.05057	3.9
341.06760	8.9
347.05377	1.5
347.78314	1.2
351.05365	2.6
357.06192	10.9
357.10077	2.3
363.05212	28.3
364.05582	1.9
368.05545	1.6
377.07324	1.5
379.04315	6.5
379.08713	2.4
393.06308	10.1
409.05759	18.7
429.12076	1.6
447.13046	2.6
451.10248	5.9
452.11227	1.5
461.09088	1.8
473.08768	7.4
503.09991	100.0
504.10236	13.6
512.51630	1.3
519.09589	16.2
520.09930	2.9
613.13824	78.7
614.14172	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	612.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99409	0.4
58.02860	5.4
58.94844	0.3
59.01277	0.8
61.98721	4.4
70.02850	0.7
70.96334	0.6
70.96658	0.8
71.01270	1.1
72.00783	0.8
74.01974	0.7
74.02364	9.6
78.95798	0.4
81.04469	0.8
82.02853	1.3
82.95976	0.7
84.04421	0.6
85.02837	0.6
85.03966	0.6
86.02368	4.0
86.06005	0.8
86.99016	1.0
87.05539	2.9
88.03920	0.5
90.00079	1.1
96.95914	1.0
97.03982	1.5
99.05548	9.1
101.02318	0.6
101.07101	1.2
102.05499	1.4
107.06059	0.8
109.04001	1.6
109.07603	0.5
112.03941	1.6
116.01676	0.9
120.05705	0.5
123.00800	0.4
123.05546	1.0
124.01556	0.5
124.03957	0.7
125.03472	1.7
127.05065	1.6
128.03462	27.5
129.03711	0.6
131.04553	0.5
135.05565	2.4
135.08041	2.1
137.07162	0.6
141.06595	2.4
143.04559	36.6
144.04909	0.8
145.06129	1.7
146.04529	3.0
149.07173	0.4
153.06648	2.7
160.00688	11.0
161.04489	0.4
166.09801	1.2
167.04591	3.5
167.08221	1.4
170.03337	0.6
171.10170	0.4
177.03340	3.4
179.04581	7.7
181.06122	1.1
184.10954	0.7
185.05659	1.0
192.07834	0.8
197.05676	1.2
210.08833	7.3
211.09151	0.6
228.09818	0.8
231.04509	0.6
242.07913	1.0
254.07878	9.2
255.08188	0.5
272.08951	18.0
273.09271	1.0
288.06635	7.4
306.07724	100.0
307.07996	5.4
327.22180	0.5
476.29980	0.6
531.67627	0.4
594.35358	0.4
612.26630	1.9
612.38892	0.5
626.06964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99225	0.3
58.02866	4.9
59.01259	0.6
61.98717	4.5
65.77009	0.4
66.03375	1.0
69.41502	2.6
70.02858	0.9
71.01273	1.4
72.00799	0.9
74.02362	11.8
75.81708	0.4
78.95805	0.4
81.04464	0.5
82.02872	1.6
85.02845	0.8
86.02374	4.4
86.06014	0.9
86.99001	1.0
87.05534	2.8
90.00092	1.1
93.23551	0.4
96.04494	0.4
96.95909	1.1
97.03979	0.7
99.05547	10.9
101.02377	0.5
101.07113	1.6
102.05546	1.7
107.06059	0.4
109.03989	1.8
109.07606	0.6
111.05547	1.1
112.03940	1.2
113.02271	0.4
113.28063	0.3
116.01685	1.0
123.00859	0.4
123.05555	1.3
124.01589	0.5
124.03988	0.7
125.03482	1.1
126.01888	0.5
127.05062	1.5
128.03468	31.1
129.03777	1.0
131.04558	0.6
135.05568	2.8
135.08093	1.1
137.07152	0.8
137.38075	0.3
139.03983	0.4
141.06638	2.9
143.04567	38.2
144.04910	1.0
145.06149	1.8
146.04536	3.2
151.00313	0.4
151.03935	0.5
153.06642	3.2
155.08267	0.6
160.00694	11.2
163.04065	0.4
166.09805	1.7
167.04593	3.1
167.08211	1.6
170.03337	0.4
171.07764	0.7
177.03365	4.0
179.04576	9.0
180.04762	0.4
181.06194	1.3
184.10887	0.6
185.05641	1.5
192.07825	0.8
197.05652	1.0
198.08797	0.7
206.30551	0.4
210.08842	8.0
211.09114	0.4
213.03253	0.4
231.04419	0.4
236.06810	0.5
242.07855	0.7
254.07877	9.5
272.08960	17.4
273.09085	0.8
274.08206	0.3
288.06680	7.0
300.68280	0.4
306.07736	100.0
307.08060	6.0
317.17139	0.4
327.21729	0.4
328.22125	0.5
383.81448	0.4
402.88132	0.4
436.24805	0.5
472.86938	0.4
473.67889	0.4
475.29169	0.4
565.10748	0.4
612.26996	1.6
613.27625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.6
57.03345	2.7
58.00471	1.2
59.01267	27.0
60.99194	8.7
61.98720	5.0
64.89948	0.5
69.03314	1.1
71.01273	43.7
71.31367	0.8
72.01630	0.6
72.99189	2.6
73.02834	12.3
75.00761	0.9
81.03381	0.7
83.01290	6.1
85.02842	17.9
87.00770	3.1
88.56659	0.6
88.98701	49.6
89.02337	17.1
89.99004	0.7
93.03315	0.6
95.01287	2.9
96.95918	1.7
97.02833	1.6
99.00777	4.1
99.92578	0.6
101.02356	31.7
106.69363	0.6
111.00779	0.8
113.02359	15.9
114.17793	0.5
116.92783	5.0
119.03394	5.8
119.04929	0.6
123.04430	0.7
125.02360	3.7
131.03410	1.7
133.02852	0.7
137.02365	1.5
143.03412	2.2
146.08170	0.8
149.02377	0.7
149.04466	0.7
151.00278	0.7
153.01880	1.0
159.02925	3.1
160.01723	0.6
161.02408	1.1
161.04500	15.8
165.01813	0.6
174.03233	0.9
175.03937	0.9
177.01938	1.2
179.05534	4.1
185.02336	0.8
190.02724	0.8
195.06680	0.8
201.01936	0.6
229.01457	7.7
230.02090	1.8
243.03052	2.0
257.00977	13.1
258.01730	8.3
259.02365	1.9
271.02588	2.1
272.03223	1.9
273.04172	3.6
274.04312	0.8
285.04214	0.7
303.05170	1.4
323.09845	0.8
389.21899	11.2
390.22324	0.7
396.60104	0.7
420.07260	1.5
435.09448	19.4
436.09714	2.3
551.27216	100.0
552.27588	15.2
611.13824	8.7
611.22699	0.8
612.13910	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	611.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65770	0.3
59.01259	0.7
59.71984	0.2
60.86515	0.2
61.98715	1.2
62.04528	0.2
62.05954	0.3
63.96120	0.8
69.03350	0.4
70.70514	0.2
70.70848	0.7
71.01272	6.4
72.99207	0.3
73.02847	1.4
78.98482	5.2
79.95624	9.6
80.96410	54.1
81.03348	0.5
85.02854	2.5
87.00781	2.4
89.02293	0.2
94.97989	12.9
96.95928	2.0
97.02861	1.6
99.00758	0.5
101.02355	2.4
106.97996	2.6
111.78749	0.3
113.02368	0.4
122.97507	5.0
124.11233	0.3
125.02375	2.9
127.03946	0.8
130.32898	0.3
134.97508	4.1
135.64790	0.3
136.99074	1.3
148.99084	6.0
150.96898	0.3
152.98586	6.2
161.96210	0.3
164.98598	10.3
167.00180	0.7
171.10161	0.3
182.99646	2.2
183.40573	0.2
206.99660	3.2
225.00749	19.3
226.01077	0.4
226.13989	0.3
233.37105	0.3
243.01878	2.2
293.21329	1.9
299.04468	2.6
311.22409	1.1
449.32541	0.5
461.57376	0.3
611.27576	100.0
612.27917	15.7
613.70148	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	611.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93652	0.3
54.66811	0.3
58.74762	0.3
59.01255	0.9
59.50350	0.3
61.98714	1.9
62.09022	0.3
63.96114	1.1
69.03345	0.5
71.01266	4.6
71.03001	0.6
73.02847	1.6
78.95813	0.4
78.98484	5.1
79.95623	9.1
80.96411	54.3
81.03345	0.7
83.01271	0.4
85.02859	1.9
87.00780	2.5
94.97986	13.8
95.01302	0.3
96.95916	1.7
97.02856	0.9
99.00782	0.7
101.02341	2.4
106.97992	2.9
113.02397	0.4
121.94466	0.3
122.97504	5.1
125.02379	3.1
127.03933	0.9
134.97499	4.3
136.99066	1.1
141.34581	0.4
146.97496	0.6
148.99080	5.2
152.98582	6.3
162.49712	0.3
164.98586	9.5
181.52882	0.3
182.99644	2.5
185.41521	0.3
188.98682	0.5
195.13963	0.3
206.99686	2.8
225.00758	19.0
226.01089	0.7
243.01791	2.0
277.05814	0.3
293.21198	0.3
299.04544	2.7
311.22354	2.1
517.39185	0.4
611.27570	100.0
612.27911	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	611.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95568	0.8
59.01273	1.5
61.98715	3.6
62.06141	0.7
62.75038	0.8
62.98736	0.7
70.62866	0.9
71.01276	1.2
71.59331	1.0
78.95798	39.3
80.96413	4.7
82.96000	2.4
96.95922	9.1
96.96863	8.2
100.97060	0.8
113.09647	1.9
123.04391	0.8
125.02384	2.3
128.03340	0.8
129.65839	0.8
134.43309	0.7
152.99536	44.4
171.00632	0.9
179.14409	1.0
195.13904	14.8
222.51099	0.9
223.00081	5.3
225.00870	1.0
241.01202	19.6
259.02231	1.6
277.21814	10.7
278.22144	1.1
295.22855	44.9
296.23276	4.4
315.05048	5.8
333.06183	1.4
611.28534	100.0
611.38007	7.5
612.29016	18.7
612.38776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55767	0.4
58.28356	0.4
59.01265	1.3
61.98721	1.7
63.96115	0.7
65.78671	0.4
71.01270	6.5
71.53720	0.7
73.02842	1.2
78.95804	2.2
78.98489	4.3
79.95631	10.0
80.96415	48.0
81.03330	0.9
85.02832	2.0
87.00783	2.3
89.02332	0.6
94.97990	12.0
96.95924	1.7
96.96857	0.5
97.02867	1.1
101.02338	2.1
106.97989	2.0
122.97516	4.4
125.02408	2.3
127.03931	0.6
134.97511	3.3
136.99107	0.8
148.99091	4.1
152.98512	4.3
152.99689	2.8
155.77342	0.5
164.98599	9.4
182.99681	1.4
195.13905	0.9
202.51891	0.5
206.99681	2.4
225.00769	16.6
226.00969	0.7
241.01242	1.0
243.01849	1.8
268.29779	0.6
277.21783	0.5
295.22897	2.5
299.04434	2.7
311.22339	1.1
315.04715	0.7
399.19455	0.5
472.66360	0.5
611.27637	100.0
612.27905	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	611.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21564	0.4
59.01268	100.0
60.01609	1.2
61.98730	1.3
64.56208	0.5
70.08897	0.4
71.01281	1.4
71.60242	0.6
72.99175	0.6
75.00782	1.4
84.41103	0.4
85.02870	0.6
87.00769	0.6
88.98705	0.7
91.44133	0.5
93.03364	0.7
96.95944	1.2
98.74712	0.5
101.02363	0.7
106.40944	0.5
116.92796	2.4
119.04984	0.5
120.35035	0.5
123.00884	0.5
125.02352	2.7
137.02417	1.9
149.02420	0.7
151.03966	0.6
153.01854	0.4
161.02422	0.5
161.04634	0.6
165.01913	0.5
167.03487	1.5
177.01921	0.7
179.03549	0.7
201.05551	0.7
205.05154	0.9
229.05040	0.7
242.09674	0.6
257.04706	0.8
270.09106	0.8
285.11334	0.8
299.09421	0.9
323.09976	0.6
329.10352	2.4
330.10733	0.5
341.10220	2.8
344.12766	4.2
356.12817	1.8
359.15106	16.5
360.15564	1.8
371.07623	0.5
371.15076	11.0
372.15594	0.9
389.12643	1.6
392.32629	0.5
395.07828	4.9
396.08472	0.5
551.27637	1.1
611.16028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64299	0.4
61.98719	1.4
71.01274	0.4
71.53275	0.4
71.53674	0.8
78.95796	13.5
79.43672	0.4
79.95643	3.5
96.95920	100.0
96.96841	19.0
97.97064	0.4
98.94553	0.4
110.34276	0.4
125.05236	0.5
152.99594	0.6
164.05168	0.5
173.33678	0.4
184.25493	0.5
191.05669	0.4
277.21835	1.6
516.86151	0.5
553.27527	0.6
573.20398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33032	0.4
58.94685	0.5
59.01251	1.1
66.76343	0.4
69.37138	4.5
72.53851	0.4
95.04929	32.2
96.05271	0.8
97.84583	0.5
101.50546	0.5
105.54873	0.5
111.08050	0.7
150.02937	0.7
179.14374	1.1
189.05298	1.2
195.13887	9.8
196.14418	0.8
205.12338	0.8
205.15987	0.8
209.11880	0.5
211.13390	0.6
216.61003	0.6
223.13399	7.9
224.13947	0.7
228.13596	0.7
245.11635	0.6
246.09845	0.8
246.12389	13.2
256.13297	1.0
275.20166	3.7
278.11417	65.2
279.11719	4.0
281.12054	0.5
293.21310	100.0
294.21631	9.0
315.19489	31.5
316.19931	3.0
359.18433	0.8
572.32312	2.7
573.32568	0.6
592.09772	0.6
609.41583	17.7
610.42090	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	610.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	0.7
59.00986	0.7
59.01271	20.6
61.98722	19.5
63.99176	1.2
68.05560	0.8
71.01331	3.0
71.04937	1.2
71.52301	0.8
71.52726	0.9
73.02876	1.4
77.70667	0.6
78.95799	15.0
78.98477	3.6
79.95647	7.1
80.95976	1.0
80.96413	29.4
81.03405	0.8
82.96058	2.6
85.02903	1.6
87.00833	1.0
94.97986	6.3
96.95975	2.7
96.96927	1.5
97.02906	1.4
100.67511	0.7
101.02407	1.9
103.60252	0.7
106.98055	1.7
122.97578	2.5
122.98453	0.8
123.00835	0.9
125.00043	0.8
125.02422	1.9
125.09667	1.6
127.04018	0.8
134.97580	2.6
136.99188	0.8
139.11278	0.9
148.99174	2.5
152.98576	1.7
152.99617	3.8
153.01889	1.3
153.12816	0.7
159.55177	0.8
163.11325	3.1
164.98619	4.7
165.12881	1.3
165.99091	0.8
167.10835	1.2
168.04300	3.4
168.11584	1.7
171.10332	0.8
177.01976	1.4
181.12393	1.2
182.99863	0.7
197.11978	2.3
206.99802	1.2
211.13431	1.6
224.07077	1.4
225.00761	8.4
226.01141	2.3
242.07947	4.6
249.22261	4.3
270.71341	0.7
275.19962	0.8
283.02606	1.3
293.21313	68.9
294.21634	7.4
297.06323	1.7
298.04868	1.2
299.04709	2.0
307.23035	1.2
311.22375	55.1
312.22757	4.8
325.23920	8.9
372.33264	0.7
398.20297	0.9
415.21573	1.3
416.21790	1.8
465.22888	3.4
491.24030	1.1
536.30090	100.0
537.30396	14.7
550.31604	7.2
551.25244	0.9
551.32648	1.7
563.06134	0.7
589.88416	0.8
610.26324	41.8
611.15594	1.3
611.27142	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	609.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69483	0.7
57.03313	0.7
59.01265	3.9
60.62906	0.5
61.98718	9.5
63.96106	0.8
71.01269	9.2
71.59618	0.9
71.59969	0.9
72.99207	1.0
73.02833	1.8
74.82949	0.6
75.00738	0.9
76.85681	0.6
77.29501	0.6
78.95799	1.0
78.98477	5.3
79.95627	20.3
80.96413	52.4
81.03343	0.8
82.95980	0.8
83.01273	1.3
83.04910	1.4
85.02863	3.0
87.00762	2.7
88.98708	3.3
89.02328	1.9
93.03325	0.7
94.97985	11.9
96.22708	0.6
96.95935	3.0
97.02843	1.7
101.02338	4.4
106.41765	0.7
106.97978	2.1
109.02818	0.7
113.02378	1.1
116.92759	0.9
119.04926	1.1
122.97499	5.0
125.02363	5.2
134.97469	2.9
135.04378	0.6
136.99037	1.1
137.02364	1.1
148.99110	4.4
151.00301	1.5
152.98570	5.8
161.04486	0.9
164.98584	9.7
170.62041	0.7
176.69148	0.7
177.06644	0.6
179.00066	0.8
182.99628	1.6
189.13010	0.6
191.05513	0.7
206.99693	2.8
211.13425	4.7
222.51050	0.6
222.82872	0.6
225.00751	17.7
225.11472	0.6
241.00255	1.0
243.01865	2.5
271.06146	4.1
285.54770	0.7
291.19669	1.0
299.04471	2.8
355.21185	0.8
397.13477	2.0
415.14984	0.7
591.25256	0.7
609.25891	100.0
610.26135	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	609.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.4
61.98717	8.1
63.96127	1.0
69.03314	0.4
70.85242	0.3
71.01280	6.0
71.44826	0.7
73.02841	1.6
78.95800	0.7
78.98483	4.8
79.95629	11.1
80.96413	55.1
81.03355	1.0
85.02851	2.5
87.00790	1.8
94.97992	14.3
96.95908	0.7
97.02864	1.2
98.20535	0.5
99.00776	0.6
101.02356	2.5
106.97998	3.0
116.77637	0.3
120.01188	0.4
122.97529	4.9
123.00829	0.8
125.02374	3.7
127.03938	0.7
134.97522	4.0
136.99080	1.5
138.11378	0.3
148.99095	5.5
152.98581	6.2
152.99683	0.7
157.95267	0.3
161.04510	0.4
164.98590	10.3
167.00153	0.4
177.01884	0.5
179.00179	0.5
182.99716	2.5
188.98611	0.5
206.99698	2.8
225.00763	19.0
226.01117	0.6
243.01765	2.1
248.09305	0.4
271.02316	0.4
291.19843	0.9
299.04517	2.7
309.20837	1.0
311.22314	0.6
325.23911	1.2
332.12970	0.5
415.21323	1.2
465.22668	0.4
536.29474	0.5
536.37592	0.4
550.31763	1.9
572.32495	0.4
608.25232	0.5
609.26007	100.0
610.26331	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	609.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67675	1.0
57.03340	1.9
58.00480	2.6
59.01264	62.4
66.83433	1.0
69.03329	1.3
69.45776	9.6
71.01272	63.2
72.01629	1.3
72.99201	5.9
73.02835	10.8
74.02386	1.5
81.73484	1.2
83.01283	3.1
85.02853	12.9
86.15650	1.1
87.00761	5.5
89.02340	71.6
90.02617	1.3
95.01302	3.4
96.95899	2.3
98.19808	2.4
99.00809	1.3
101.02348	59.7
102.02671	1.3
107.03432	1.4
111.00784	1.4
113.02359	28.3
119.03428	28.7
125.02357	4.8
128.03465	4.2
128.70354	1.3
131.03427	8.3
137.02338	1.3
143.03424	8.7
143.04536	2.9
149.04526	2.2
161.04510	22.0
165.01862	2.3
179.05582	100.0
180.05960	3.0
210.08878	1.3
218.89511	1.0
221.06662	25.6
257.49252	1.3
272.08914	1.4
281.08737	1.8
306.07794	6.7
307.08029	4.5
323.09982	1.4
341.11057	3.3
387.20486	1.9
513.81213	1.3
549.25647	36.1
550.26068	4.4
582.09705	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	609.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63572	0.3
51.10010	0.4
59.01262	0.6
60.24110	0.4
60.65654	0.5
61.98728	3.5
63.96125	1.1
65.52873	0.4
69.45998	3.3
71.01275	5.5
71.84116	0.4
73.02848	1.6
78.98488	4.5
79.95627	16.2
80.96411	54.9
81.03344	0.4
85.02831	2.3
85.89711	0.4
87.00773	2.0
94.97991	12.4
96.95944	1.0
97.02869	1.2
99.04415	0.5
100.25871	0.5
101.02349	2.0
106.97987	2.8
113.02401	0.4
122.97497	3.9
125.02356	2.0
127.03929	0.6
134.07771	0.4
134.97511	4.4
136.99072	1.6
143.03487	0.6
148.99109	4.6
152.98572	6.1
164.98584	9.7
165.98979	0.4
167.00192	0.4
182.99683	2.2
188.98605	0.4
206.24925	0.4
206.99684	2.5
208.86122	0.4
212.74240	0.4
225.00745	17.8
226.01082	0.7
243.01869	2.1
291.19583	0.8
299.04474	2.9
309.20865	0.4
317.05646	0.4
385.08249	0.6
399.09949	0.4
427.12817	0.9
481.17715	2.8
511.18372	0.6
609.26007	100.0
610.26318	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	609.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.6
59.01251	1.1
63.96124	0.6
64.34625	0.4
69.03343	0.7
71.01273	6.5
73.02847	1.9
76.70383	0.4
78.54616	0.4
78.98483	5.2
79.95161	0.9
79.95627	9.7
80.96412	61.4
81.03383	1.0
83.25145	0.4
85.02842	3.1
87.00764	2.4
88.10923	0.5
94.97987	14.8
95.01276	0.7
96.95905	0.6
97.02844	1.6
99.00777	0.8
101.02368	2.3
106.97986	2.6
110.76046	0.5
111.08030	0.4
116.99884	0.4
121.81624	0.5
122.97503	5.8
125.02363	3.4
127.03977	0.8
134.97533	4.7
136.99060	1.3
148.99089	6.1
152.98584	8.3
159.32042	0.5
163.85454	0.4
164.98584	12.4
165.98946	0.5
182.99709	2.0
188.98546	0.7
197.11911	1.0
206.99739	3.2
225.00764	22.9
226.01019	1.0
227.41574	0.5
243.02031	2.2
291.19669	1.1
299.04416	2.6
309.20883	0.8
535.29016	1.3
609.26013	100.0
610.16272	0.9
610.26276	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	609.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89658	0.3
52.86383	0.2
59.01258	0.7
63.96125	1.1
64.67846	0.2
69.03356	0.4
71.01273	5.5
71.02173	0.6
72.99182	0.3
73.02835	1.8
75.36881	0.2
78.98485	5.5
79.95628	10.9
80.96415	56.6
81.03362	0.5
82.58056	0.3
85.02839	1.9
87.00773	2.1
94.97991	12.2
95.01299	0.3
96.95911	0.5
97.02872	1.3
99.00787	0.8
101.02353	2.1
106.98015	2.0
113.02362	0.3
122.97508	5.1
125.02384	2.6
127.03954	0.7
134.97499	3.4
136.99059	1.4
146.97449	0.3
148.99104	4.8
152.98572	6.3
164.98596	9.5
167.00183	0.5
167.64249	0.3
174.77518	0.3
182.99684	2.0
188.98593	0.5
197.11841	0.7
206.99628	2.6
225.00757	16.8
226.01219	0.4
243.01823	1.7
291.19781	0.4
299.04471	2.5
309.20755	0.5
371.06613	0.5
481.17593	1.0
609.25995	100.0
610.26318	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	609.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01269	1.1
61.98717	0.7
63.70397	0.3
63.96118	1.6
69.03347	0.9
70.52672	1.1
71.01275	8.0
73.02828	1.6
78.95799	5.9
78.98486	6.0
79.95629	12.3
80.96415	65.8
81.03361	1.1
81.96383	0.4
83.01287	0.4
85.02840	2.9
87.00789	2.5
87.01665	0.3
94.97993	15.5
95.01316	0.4
96.95918	1.2
96.96866	0.8
97.02866	1.9
99.00789	0.6
101.02354	3.6
106.98004	2.8
113.02381	0.7
113.09659	1.7
116.80626	0.3
122.97517	5.8
125.02392	3.7
125.09668	0.4
127.03910	0.9
134.97507	4.8
136.99065	1.4
139.11240	0.5
144.83769	0.3
148.99097	5.4
152.98557	7.2
152.99565	5.2
164.98592	12.6
164.99980	0.6
165.98955	0.3
167.00198	0.6
168.66069	0.3
171.00635	0.3
179.10754	0.4
182.99648	2.9
186.08679	0.3
198.38309	0.3
206.99689	3.5
209.11775	0.9
211.13454	0.7
223.00188	0.8
223.13269	0.5
225.00760	20.9
226.01134	0.7
241.01268	2.1
243.01869	2.0
291.19791	0.9
293.21298	4.6
294.21918	0.6
299.04608	3.4
315.04828	1.0
316.41205	0.4
317.05545	0.5
523.18689	14.1
524.19135	1.9
535.29187	0.4
591.25122	1.0
609.26074	100.0
610.26410	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	609.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39946	0.6
59.01267	6.6
65.00205	1.0
66.43116	0.7
66.43538	0.6
70.43296	1.1
70.43716	1.8
71.01271	4.6
73.02826	1.0
75.92587	0.6
83.01301	0.9
83.65285	0.6
85.02835	0.9
87.00781	1.6
89.02345	4.3
96.95914	2.7
101.02360	2.2
103.03943	0.7
107.01307	1.8
113.02368	2.1
116.92711	0.6
119.03429	1.9
123.04446	0.8
125.02418	1.3
133.02916	0.8
135.00731	0.7
143.04933	1.2
145.02870	0.9
151.00301	6.7
151.03952	0.7
153.01855	0.8
159.04459	0.7
161.02322	0.6
161.04506	0.6
163.00305	2.3
163.04103	0.6
165.05499	0.7
167.03435	1.0
171.04436	1.3
177.01851	0.7
178.92682	0.6
178.99812	5.9
179.05589	2.0
184.79306	0.7
187.03963	1.7
199.03993	2.1
201.01860	1.1
203.03519	7.8
215.03534	5.3
217.01485	1.3
227.03598	0.7
230.02208	1.0
231.02997	7.5
232.03300	0.9
233.88524	0.6
241.01361	1.3
242.02176	0.9
243.00761	1.0
243.03027	10.2
244.03394	0.6
255.03134	0.6
258.01794	1.4
259.02530	15.9
260.02844	1.3
269.01013	0.7
270.01691	1.9
271.02533	19.2
272.02994	1.8
285.04138	2.0
286.01184	1.7
287.02048	32.2
288.02353	2.7
300.02716	1.2
301.03568	3.5
315.01547	81.0
316.02081	9.7
329.03104	4.9
330.03888	94.1
331.04416	12.0
344.05502	2.7
345.06177	1.8
359.37045	0.7
361.16681	5.0
609.14771	100.0
610.15094	17.0
631.15424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	0.1
58.05090	0.1
59.01265	0.3
61.98719	100.0
62.98400	0.1
68.21585	0.1
71.01282	0.4
71.54559	0.2
78.95802	0.1
78.98492	0.1
79.95625	0.2
80.96416	1.0
85.02866	0.1
85.27974	0.1
92.89890	0.1
94.97999	0.2
96.95911	0.1
101.02344	0.1
122.97514	0.1
125.02395	0.1
137.02380	0.2
148.99088	0.1
152.99579	0.1
164.98563	0.2
169.32858	0.1
195.78758	0.1
225.00821	0.4
266.86050	0.1
291.19720	0.2
309.20831	0.4
324.20337	0.1
545.30377	0.2
608.24915	0.4
609.25897	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	609.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82414	0.6
65.00206	0.9
69.60355	4.9
72.34048	0.6
80.58179	0.7
107.01291	2.8
108.02072	1.6
109.02853	1.6
121.02864	2.7
148.01561	1.3
151.00311	11.9
151.54657	0.6
160.08247	0.6
163.00331	2.6
164.01149	0.8
178.99840	8.1
187.03912	1.0
205.86188	0.7
206.47733	0.7
211.04022	0.9
219.31543	0.7
226.02698	1.2
227.03481	2.4
229.05069	0.8
243.03023	9.1
244.03604	1.0
245.04533	1.5
254.02278	1.7
255.03041	25.8
256.03418	1.9
271.02545	52.6
272.02972	4.8
273.04037	1.3
283.02454	1.5
299.01968	1.9
300.02829	97.8
301.03525	41.6
302.03909	3.1
554.05127	0.7
559.61694	0.9
609.14764	100.0
610.15131	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	609.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43876	0.5
59.01257	1.3
61.98709	1.0
65.00219	0.7
70.51023	1.1
70.51388	1.0
71.01275	1.5
72.99220	0.5
73.02831	0.5
74.02380	0.5
83.01270	0.6
89.02322	1.0
91.01798	0.5
93.03370	0.5
96.95952	1.5
101.02392	0.8
107.01308	2.1
108.02085	1.6
111.00700	0.5
116.92769	0.6
121.02890	1.0
125.02357	0.7
135.00757	0.8
137.02380	0.5
144.51389	0.4
148.01619	1.4
149.02393	0.6
151.00310	6.8
163.00348	1.2
164.01089	0.5
169.01402	0.6
178.99837	4.8
181.74445	0.5
187.03864	0.5
199.04051	0.7
215.03493	0.9
223.04999	0.5
226.02690	1.7
227.03482	3.2
243.03003	11.1
243.07610	0.4
244.03467	1.3
254.02148	2.2
255.03044	27.9
256.03427	2.5
271.02545	60.2
272.03006	5.8
283.02527	0.6
287.01965	0.8
299.01999	3.5
300.02823	100.0
301.03360	15.5
302.03741	0.8
305.07013	0.6
311.96375	0.7
316.02234	1.9
317.47595	0.5
429.08307	0.6
609.14746	95.6
610.14990	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	607.2448
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03331	0.3
59.01269	1.3
61.20073	0.2
61.98720	11.4
63.96124	1.6
69.03342	0.5
71.01271	8.8
71.39215	0.6
72.99219	0.3
73.02842	1.9
77.00813	0.3
78.95786	0.6
78.98493	5.9
79.94951	0.4
79.95630	25.0
80.96413	71.5
81.03337	1.3
81.96349	0.5
83.01308	0.5
85.02853	2.4
87.00774	2.8
94.97990	16.2
95.01308	0.7
96.95923	1.5
97.02843	1.6
99.00779	0.6
101.02353	3.4
106.97987	2.5
108.02061	0.9
109.02856	0.4
113.02373	0.7
115.81582	0.3
122.97501	6.5
123.04458	0.9
125.02379	3.0
127.03958	0.7
134.96565	0.4
134.97522	4.8
135.04433	0.2
136.99088	2.0
139.03983	0.3
146.97580	0.4
148.99089	6.9
151.11253	0.4
152.01093	0.7
152.98572	7.9
152.99440	0.4
153.01859	0.5
153.05521	0.7
153.98969	0.3
164.98592	12.5
165.98868	0.4
167.00171	0.4
179.00246	0.6
182.99666	2.9
188.98672	0.4
195.01137	0.3
200.58598	0.3
206.99663	3.4
209.11861	1.9
211.13347	0.6
225.00755	20.4
226.01083	0.6
241.00328	0.7
243.01764	2.3
280.89120	0.3
299.04449	4.2
300.05164	0.3
315.04129	0.5
315.07367	1.7
317.05661	0.5
371.06653	1.7
385.08252	0.8
413.11172	0.8
427.12918	0.6
467.16208	0.6
473.70264	0.3
481.17719	0.4
495.15036	0.4
509.17084	10.2
510.17508	1.1
538.17603	0.6
579.24774	1.4
589.23126	2.5
590.23792	0.5
607.24445	100.0
608.24744	17.5
609.30188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2455
Annotation	Tiliasine
Peak:m/z	Relative Intensity
56.00740	0.3
57.03336	0.4
59.01263	2.0
61.98721	3.2
63.96125	1.0
69.03327	0.8
71.01272	8.5
71.52341	0.4
71.52792	0.5
72.99210	0.5
73.02834	2.1
75.00753	0.4
78.95801	0.8
78.98486	5.2
79.95626	11.8
80.96412	65.9
81.03357	0.9
83.01273	0.4
85.02848	2.9
87.00771	2.3
88.98697	0.9
89.02363	0.7
94.97990	15.5
95.01301	0.5
96.95919	5.4
96.96870	1.2
97.02870	1.7
99.00774	0.7
101.02348	3.9
106.97989	2.3
113.02357	0.5
122.97503	5.6
125.02376	3.3
127.03896	0.7
134.97507	4.7
136.99086	1.3
143.03465	0.3
146.97475	0.5
148.99083	5.8
152.98570	7.1
152.99466	0.4
161.04561	0.4
164.98581	10.8
167.00124	0.4
179.00125	0.3
182.99654	2.4
184.05565	0.3
185.11810	0.3
206.99663	3.2
209.11856	0.7
225.00754	18.7
226.01096	0.8
243.01799	2.1
245.19147	0.6
289.18170	0.6
299.04510	2.4
352.25897	0.3
397.13901	0.4
441.14566	0.4
504.20486	0.4
607.24438	100.0
608.24762	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	607.245
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03331	0.3
59.01268	1.5
61.98721	4.3
63.96121	1.2
70.90934	0.3
70.91268	0.5
71.01279	6.6
71.80818	0.3
72.99185	0.3
73.02840	1.7
78.95798	0.5
78.98486	6.1
79.95629	13.1
80.96415	64.1
81.03348	0.9
81.96374	0.3
83.01298	0.5
85.02850	3.1
87.00787	2.5
94.97994	14.1
95.01312	0.6
96.95913	0.9
97.02879	1.5
99.00790	0.6
99.04398	0.3
101.02363	2.8
102.54081	0.3
106.97994	2.7
108.86015	0.3
110.61758	0.3
111.15690	0.2
113.02339	0.6
122.97507	6.1
125.02386	3.5
127.03934	0.9
131.94543	0.2
132.34732	0.3
134.97522	4.6
136.99074	1.4
143.03452	0.4
148.99094	5.5
152.98581	7.2
161.04579	0.4
164.98601	11.3
165.00009	0.6
167.00168	0.6
182.99657	2.6
188.98647	0.6
206.99702	3.3
209.11786	0.3
225.00764	17.6
226.01001	0.6
233.66881	0.3
241.00587	0.4
243.01794	2.0
253.09375	0.7
289.18219	0.4
293.21353	2.4
299.04526	2.9
311.22391	4.6
317.05661	0.3
384.44769	0.3
427.12811	0.4
607.24481	100.0
608.24841	15.8
619.57184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	0.4
59.01260	1.2
61.98724	6.2
62.07436	0.3
63.96130	1.5
69.03349	0.6
70.94123	0.8
71.01275	6.9
73.02850	2.2
78.95798	0.7
78.98486	5.0
79.95630	13.6
80.96415	63.9
81.03347	1.3
81.96369	0.3
83.01280	0.4
85.02853	2.5
87.00779	2.6
89.02349	0.3
94.97992	15.1
95.01244	0.6
96.95903	1.1
97.02869	1.9
99.00813	0.6
100.29163	0.3
101.02353	3.1
106.98009	2.3
108.31889	0.3
113.02349	0.6
122.97508	5.2
125.02381	2.8
127.03951	0.8
134.97508	4.4
136.99146	1.4
143.82758	0.3
148.99098	5.7
152.98575	6.4
152.99498	0.3
161.07260	0.3
164.98598	10.7
167.00224	0.3
182.99663	3.3
188.98512	0.3
205.63721	0.3
206.99706	3.2
209.11818	0.7
211.13522	0.4
216.25394	0.3
222.15541	0.3
225.00761	17.0
226.01259	0.5
231.06270	0.3
243.01869	1.8
299.04343	2.4
371.06744	0.4
399.09583	0.4
427.13068	0.4
460.16565	0.3
509.17377	0.3
607.24463	100.0
608.24731	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	606.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57336	1.3
54.41271	1.2
59.01267	12.2
69.92892	2.1
69.93300	5.2
71.01272	14.1
72.84414	1.1
73.02829	12.1
84.02067	1.2
85.02851	2.9
87.00808	2.6
89.02350	3.7
101.02355	7.0
113.02357	8.2
119.03400	2.5
125.06042	1.7
138.03340	1.4
139.07578	3.2
146.81697	1.3
161.04549	3.9
167.17430	1.4
171.10262	2.4
255.21135	3.2
263.23825	2.2
273.22366	8.2
277.21799	100.0
278.22067	9.1
291.23373	67.8
292.23730	7.0
301.21863	9.1
319.19458	2.2
319.22873	28.7
320.23172	3.6
331.22977	2.8
349.23972	4.1
366.46289	1.5
373.24158	2.1
379.24963	2.1
524.91864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1688
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.23661	0.5
59.01263	1.7
61.98722	2.5
69.25164	3.4
69.25589	1.9
71.01275	2.2
72.99191	0.5
73.02831	0.6
75.00767	0.6
78.95785	0.9
82.95323	0.5
83.02402	2.0
84.00801	0.7
84.01925	1.7
84.95023	1.3
85.00347	0.9
85.02833	0.8
86.02365	0.8
87.00771	2.0
88.98692	0.8
89.02326	1.0
93.03369	0.9
96.95919	1.3
98.20582	0.9
101.02350	1.6
110.00008	1.9
113.02340	0.8
113.89018	0.5
125.02381	2.4
134.00052	0.8
136.98764	0.6
137.02336	0.8
141.04076	0.5
165.01894	1.9
165.05511	0.8
177.05528	0.5
183.02957	0.6
183.04422	0.9
191.05592	0.5
199.87589	0.5
211.04030	2.5
212.04694	0.6
218.10323	0.6
219.06435	0.5
227.03508	17.1
228.04121	2.6
239.09377	0.7
240.04288	0.6
243.06490	1.2
255.03033	51.6
256.03668	8.0
258.99896	0.5
271.06229	2.0
283.02560	63.6
284.03275	34.1
285.03693	1.7
287.74789	0.5
298.04898	43.8
299.05667	100.0
300.06003	7.9
329.06808	0.8
341.06775	1.0
385.13376	0.6
427.14075	0.7
493.30215	0.5
547.28040	0.9
607.16852	98.7
608.17188	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	604.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50550	0.2
59.01267	2.1
60.83404	0.3
61.98731	0.4
64.70451	0.2
65.45693	0.2
71.01273	1.9
71.55416	0.3
85.02857	0.4
89.02346	1.4
93.03364	0.6
98.29056	0.2
99.00787	0.3
101.02343	1.3
104.85474	0.3
111.38416	0.2
113.02373	0.8
119.03410	0.8
121.02887	6.3
122.03223	0.7
125.09653	0.9
131.03697	1.1
146.02426	100.0
147.02779	10.8
148.02983	1.7
160.03937	0.3
161.04524	0.5
161.16756	0.2
162.04866	0.3
179.05580	0.7
188.98730	0.2
241.16096	0.4
245.15428	0.5
255.19617	0.3
282.36716	0.2
293.21268	1.0
295.22754	1.8
303.16098	2.1
312.16122	1.4
313.16742	0.3
397.23767	1.2
406.23892	1.2
415.24948	3.4
416.25183	0.4
422.23657	0.3
423.23904	0.8
424.24789	6.1
425.25339	0.7
604.31329	30.0
605.31763	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	605.2425
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.33959	0.6
58.44127	0.7
59.69327	0.6
61.28746	0.6
61.98706	1.1
69.93069	3.6
76.39941	0.5
78.23473	0.5
98.20483	0.6
168.89037	0.8
233.34067	0.6
327.65659	0.7
429.16913	0.8
443.19574	0.9
444.18823	1.0
450.47668	0.7
457.20587	2.3
458.20975	0.8
459.18011	3.0
471.18237	1.1
472.19043	1.0
473.19742	4.2
474.20282	0.8
475.21411	0.7
485.19827	1.0
485.23883	1.1
486.20831	4.1
487.21213	1.0
496.19357	1.1
497.19611	0.8
499.17590	0.9
501.23129	2.1
511.21686	2.5
513.19501	2.0
514.20221	8.7
515.20477	1.8
517.18707	0.8
518.19586	1.7
528.21667	0.8
529.22595	100.0
530.22919	20.6
532.21246	2.0
533.22260	2.1
561.24719	1.2
573.21368	1.5
605.24243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24853	0.1
59.01270	0.3
59.48810	0.1
61.98721	100.0
62.98425	0.2
69.42643	0.4
69.43070	0.6
71.01277	0.2
78.95812	0.7
79.95636	0.1
80.96404	0.6
81.73126	0.1
88.98713	0.1
89.02376	0.1
98.19778	0.1
101.02362	0.2
109.77056	0.1
152.99550	0.3
176.47818	0.1
209.11852	0.3
211.13394	0.1
225.00764	0.2
246.59178	0.1
253.09436	0.1
290.18423	0.2
291.19370	0.2
308.19666	0.1
309.20010	0.2
311.22449	0.2
318.59424	0.1
386.88364	0.1
417.58151	0.1
499.37985	0.1
594.72394	0.1
606.30487	0.2
607.24615	1.5
625.68494	0.1
628.45404	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	604.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.2
61.98718	1.3
69.54716	6.7
69.55127	1.9
69.58027	1.4
71.01282	5.7
73.02840	4.0
76.70114	1.1
78.95806	2.1
85.02866	1.3
85.28199	1.2
98.19739	1.3
101.02330	7.9
125.02402	3.2
136.01521	1.3
146.02428	34.0
147.02765	14.2
148.02950	2.8
191.08961	1.2
195.13817	6.2
205.12331	3.5
273.22324	2.9
291.19690	1.8
293.21234	7.9
294.21692	2.4
295.22852	7.5
311.22369	100.0
312.22699	13.1
317.21307	20.0
318.21640	1.9
335.22336	18.1
336.22702	2.9
347.22470	1.8
365.23450	5.0
383.24652	9.2
402.28900	1.3
413.25543	28.3
414.25671	2.6
424.24277	4.2
473.27670	15.8
474.28049	3.2
600.45343	1.4
604.30743	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	604.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.6
58.00483	1.0
59.01266	22.7
61.98729	0.9
70.91724	0.8
70.92053	0.6
71.01273	17.5
72.99204	1.3
73.02856	1.3
78.95802	0.8
83.01289	0.9
85.02850	3.7
87.00788	1.1
89.02343	17.4
95.01298	0.9
96.35432	0.4
99.00771	0.6
101.02348	8.6
108.03253	0.4
113.02353	6.4
119.03430	7.7
121.02876	39.5
122.03224	1.1
125.02405	0.5
131.03514	1.2
140.89944	0.4
143.03456	1.2
146.02420	100.0
147.02773	3.2
149.04425	0.7
155.74046	0.5
159.03000	0.4
161.04518	2.5
165.12779	0.7
179.04094	0.8
179.05576	9.0
205.05128	0.4
214.12363	0.7
226.07162	0.4
241.27948	0.5
249.22295	0.7
266.46472	0.4
269.00739	0.4
283.08386	0.6
287.16650	1.6
293.21341	5.3
293.56985	0.4
295.22931	2.0
370.68280	0.5
371.25842	0.4
406.24051	0.5
415.25076	5.5
416.25391	1.1
424.25049	1.2
493.65448	0.4
574.30042	0.4
604.31427	73.2
605.31726	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	603.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.9
71.01772	3.9
74.49220	1.9
78.95805	2.2
95.59384	1.7
99.08123	1.6
111.08077	8.1
122.01291	2.1
127.07558	1.6
129.09125	2.6
148.94673	2.2
149.54852	1.6
153.12788	2.4
165.12804	2.3
167.76563	1.9
169.12312	3.9
176.24486	1.6
179.10640	1.7
181.12271	3.0
183.13747	2.1
193.28287	2.0
195.13911	3.7
197.11830	27.5
199.13390	3.8
211.13445	6.7
221.39723	1.9
228.13358	1.9
247.20705	4.0
265.21738	2.2
281.21066	2.4
291.19763	30.1
292.20068	5.3
293.21259	20.7
294.21228	1.8
296.22897	1.8
309.20807	100.0
310.21152	15.0
311.22366	84.9
312.22672	7.0
585.41772	14.0
586.41876	4.8
603.42761	14.0
604.42725	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30805	0.2
59.01268	2.5
61.98720	0.3
71.01266	2.9
71.54523	0.4
72.99195	0.3
78.95794	0.3
83.01272	0.3
85.02863	0.6
88.42906	0.2
89.02339	2.0
93.03361	0.2
96.95933	0.4
101.02370	1.5
107.04939	0.5
108.02099	0.2
113.02353	1.2
119.03405	1.0
121.02875	8.9
122.03208	0.4
122.74689	0.2
127.11219	0.5
129.09166	0.5
131.03654	0.5
143.03404	0.2
146.02423	100.0
147.02769	3.6
161.04543	0.4
179.05568	0.7
182.60330	0.2
189.12807	0.3
190.08412	0.2
213.12813	0.4
217.12094	0.2
241.15982	0.4
242.01903	0.2
257.76093	0.2
268.17218	0.3
275.16751	0.3
285.14969	0.5
293.21268	0.6
294.15048	0.4
295.22791	2.2
299.59601	0.2
303.15842	0.3
307.19077	0.3
309.08774	0.4
312.16150	2.0
313.16248	0.3
353.24716	0.5
397.23965	1.2
398.23828	0.2
406.23813	2.6
415.25046	2.6
416.25122	0.3
424.25037	13.1
425.25391	1.6
604.31421	22.6
605.31757	3.7
618.66290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.3
59.01270	37.9
59.30367	1.2
61.98719	10.5
70.91541	3.7
71.01277	12.5
81.03339	2.3
82.87698	1.3
83.01275	4.7
83.04917	1.8
85.02837	3.3
87.00779	3.0
89.02369	9.1
95.01292	1.5
95.04916	1.5
96.95915	4.6
97.02851	3.0
97.06501	3.6
98.20387	1.4
101.02371	16.4
101.82409	1.7
113.02386	4.8
115.41531	1.2
119.03446	3.0
123.04454	3.8
123.08076	2.2
125.02374	1.5
125.09677	6.5
127.44729	1.4
135.08118	1.6
137.09648	3.0
161.04497	4.9
161.09694	2.6
163.11292	8.7
171.10262	2.0
179.05630	2.0
181.12268	1.6
185.11789	7.2
191.14395	11.4
207.10329	4.8
209.11836	20.5
211.13289	2.3
219.04924	1.3
225.11343	4.2
235.08080	1.5
237.11343	4.0
243.17644	1.2
245.19150	20.1
253.06667	2.9
253.09344	51.0
254.09683	1.9
263.20291	6.3
271.17117	2.6
287.16434	1.5
289.18188	100.0
290.18610	10.0
290.21439	2.0
307.19241	92.8
308.19632	9.9
525.26965	1.4
543.28229	2.4
553.78760	1.4
599.59155	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43800	0.9
54.35473	0.7
57.03341	2.6
59.01260	5.3
64.00079	0.9
71.01285	1.1
71.04910	1.2
71.24983	2.4
74.49671	0.9
78.95798	2.9
80.02586	1.3
80.72878	0.8
81.03365	3.3
83.04913	1.7
95.04920	1.8
97.02842	2.4
97.06503	3.0
98.03694	1.1
106.04191	1.5
109.06487	2.5
111.08071	1.9
112.05244	2.5
113.09623	2.6
115.07571	2.1
121.06558	1.4
123.04443	4.1
123.08095	3.6
125.06022	1.7
125.09656	7.3
127.07567	1.2
127.11208	2.1
135.08127	2.8
137.09628	4.6
141.05519	3.6
141.09132	2.0
141.12794	1.6
149.09673	1.7
153.09122	11.4
153.12692	0.9
155.10721	10.7
161.09627	1.0
162.10437	1.1
163.07579	1.1
163.11244	7.1
165.09154	1.3
165.12794	9.0
167.10677	2.5
167.14487	1.0
171.10217	23.3
172.10609	1.6
172.20726	1.0
177.12749	2.7
179.10783	1.9
179.14345	1.0
181.12331	4.3
183.13919	1.8
185.11832	10.4
191.14365	7.6
192.14659	1.2
193.15997	2.6
195.13911	17.4
196.14282	1.7
197.11789	3.7
207.10205	4.2
209.11829	5.9
211.13441	3.4
217.15884	1.2
218.35493	1.0
223.13406	4.2
225.11319	4.3
227.12971	1.0
243.17578	0.9
245.19153	19.7
247.20761	8.2
263.20355	1.3
271.17078	2.9
273.18765	2.6
275.20102	1.5
277.21774	8.4
278.21982	1.3
289.18176	74.5
290.18561	8.2
291.19736	54.3
292.20053	6.5
293.17981	1.8
293.21313	35.7
294.21643	3.5
295.22879	56.5
296.23172	5.9
300.31879	0.9
307.19238	100.0
308.19543	8.5
309.20798	87.1
310.21170	14.3
311.22229	9.7
325.20294	28.7
326.20657	2.2
327.21863	22.0
328.22049	1.5
367.12015	1.0
413.30707	1.4
431.31519	1.9
489.18796	1.0
567.40454	5.9
568.41022	1.4
585.41632	7.4
586.42657	1.4
603.42426	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	602.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.2
59.01262	2.8
62.02432	0.1
70.13232	0.6
71.01273	2.2
72.99206	0.2
76.00755	0.1
83.01290	0.2
85.02840	0.6
89.02346	2.1
93.03356	0.3
95.01318	0.2
101.02350	1.4
107.04923	0.4
113.02373	0.9
119.03439	1.1
119.04938	0.2
121.02879	8.5
122.03217	0.3
125.09616	0.3
127.07560	0.2
127.11585	0.1
127.36927	0.1
131.03647	0.6
137.02364	0.3
146.02419	100.0
147.02773	4.2
161.04536	0.5
179.05579	0.7
213.12828	0.5
215.10808	0.3
225.12965	0.2
236.44043	0.1
241.16042	0.3
242.79466	0.1
268.17081	0.3
275.16550	0.4
285.14941	0.3
291.19702	1.0
293.21313	2.8
294.15112	0.5
294.21808	0.3
296.13043	0.3
296.16394	0.2
303.15942	0.2
309.08569	0.2
312.16165	2.0
313.16409	0.3
351.23434	0.5
377.21326	0.2
395.22327	1.2
396.22726	0.1
404.22382	2.3
405.22632	0.4
413.23447	1.7
414.23483	0.2
422.23486	11.4
423.23730	2.2
602.29858	19.9
603.30255	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	601.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73678	0.4
57.03326	2.0
59.01268	3.2
61.48529	0.5
61.98713	0.7
62.76300	0.5
69.03333	0.7
71.01273	0.4
73.02788	0.4
74.40462	0.4
80.02560	0.8
81.03373	1.2
83.04913	1.4
85.02831	0.5
95.04930	1.5
97.02832	2.0
97.06477	2.3
99.04391	0.7
107.04927	0.6
109.06512	2.2
109.50632	0.4
110.03625	0.5
111.08059	1.0
113.06020	0.8
116.07092	0.5
123.04500	2.4
123.08069	1.8
125.05991	0.8
125.09662	3.9
127.07623	0.8
135.08096	3.6
137.09639	2.8
138.62297	0.4
139.11166	0.5
141.05524	3.1
141.09117	0.9
141.12785	1.2
142.02676	0.5
149.06018	0.8
149.09607	0.9
151.11217	0.8
153.09161	7.9
161.09517	0.7
162.10464	0.6
163.07491	0.7
163.11240	5.7
164.11530	0.5
165.09155	0.6
165.12785	1.6
167.10757	0.7
171.10234	10.7
177.12773	1.4
179.10774	1.3
179.14345	0.9
181.12320	1.6
183.13962	0.5
185.11816	6.4
187.09746	0.7
191.14407	8.5
195.13901	5.1
197.11816	2.7
205.12312	0.6
207.10255	3.2
209.11870	5.2
211.13431	1.1
217.15996	1.5
219.13881	0.7
223.13422	4.3
225.11363	3.2
227.12888	0.7
229.57935	0.6
229.60309	0.5
238.12144	0.5
239.12906	0.8
243.17761	0.5
245.19131	18.3
245.21663	1.0
246.19522	1.6
247.17184	0.5
247.20618	0.9
263.20364	0.7
271.17035	1.7
273.18921	0.5
275.20163	2.7
289.18176	77.3
290.18524	7.4
291.19766	8.3
292.20078	1.6
293.21317	52.7
294.21695	5.2
307.19238	100.0
308.19580	10.0
309.20807	20.7
310.21222	2.7
311.21490	0.9
325.20285	27.7
326.20679	3.0
391.80927	0.4
393.18799	0.5
408.21213	0.6
411.29224	1.2
419.94345	0.5
485.32950	1.3
487.34387	0.7
493.87137	0.5
503.34137	1.3
514.33447	0.5
522.77338	0.5
539.41449	0.8
565.39117	5.0
566.39508	0.8
583.40125	8.2
584.40356	1.6
601.41125	5.6
602.42303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89367	0.7
57.03333	0.6
59.01262	3.3
59.87394	0.6
61.98723	7.2
71.01269	2.3
71.54440	0.8
73.02813	0.9
78.91772	1.1
78.95784	1.8
80.91592	1.1
85.02837	1.5
87.04404	0.8
89.02346	1.7
91.52179	0.6
93.03356	2.1
95.01276	0.7
96.95901	2.1
96.96880	0.7
101.02362	1.2
107.01293	1.4
109.02849	1.0
113.02363	0.8
117.48750	0.6
125.02373	1.4
129.67088	0.6
133.89543	0.6
135.00775	0.9
137.02312	0.7
139.03902	0.7
145.02914	1.0
151.00293	1.3
152.99521	0.9
153.01840	1.1
157.06563	0.9
159.04483	1.2
163.00310	2.5
167.03453	0.6
169.06592	1.1
171.04428	0.7
174.03192	0.6
185.06059	1.7
187.03972	2.3
189.05502	0.8
195.04564	0.9
197.05975	1.0
199.03928	1.1
209.11786	1.0
211.04012	1.9
213.05548	1.8
214.02611	0.7
227.03503	11.1
229.05080	12.2
239.03502	1.7
240.04301	1.1
241.05164	1.3
255.03030	26.3
256.03519	3.6
257.04669	6.6
267.03018	1.6
283.02493	0.7
284.03351	40.1
285.04117	100.0
286.04477	9.1
341.11145	0.8
344.05457	0.7
359.07767	1.5
370.66785	0.7
431.09930	87.6
432.10251	12.4
501.09888	0.6
521.33667	1.3
575.14355	8.9
576.14282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
56.74637	0.2
57.03342	1.6
58.00488	3.3
59.01267	58.5
59.51168	0.2
60.01599	0.5
61.98726	0.5
64.64793	0.2
68.99713	0.3
69.03344	1.0
71.01273	57.1
71.53444	0.3
72.01616	1.1
72.99197	4.5
73.02845	3.2
75.00772	0.8
81.03351	0.4
83.01285	5.1
83.04935	0.3
85.02850	8.8
87.00777	16.5
88.01144	0.3
89.02341	58.8
90.02686	1.1
92.93887	0.3
95.01283	3.1
97.02828	1.3
99.00780	1.6
101.02352	29.8
102.02705	0.7
107.03407	0.3
111.00789	1.0
112.34698	0.2
113.02363	29.2
114.02693	1.0
115.03936	0.8
117.01867	0.5
119.03426	23.5
120.03783	0.5
125.02399	1.6
129.01884	0.9
131.03448	3.4
141.01865	1.3
143.03445	8.4
148.35300	0.2
149.04501	2.3
159.02937	0.7
161.04509	9.2
162.04898	0.4
167.03484	0.3
179.05582	21.8
180.05904	0.9
192.21599	0.2
203.05562	0.3
205.19646	0.2
222.44952	0.2
227.85214	0.2
233.22820	0.5
249.06154	0.2
249.74432	0.2
259.20828	0.4
273.22235	0.5
275.20181	0.3
277.21793	100.0
278.22141	10.1
291.20026	0.5
291.23370	5.7
292.23691	0.6
301.21899	1.1
309.20859	0.2
319.22867	3.9
320.22995	0.4
323.09915	16.9
324.10260	1.5
335.22385	0.3
341.10974	48.0
342.11371	3.4
349.23941	0.5
396.17584	0.2
472.52496	0.2
473.27625	0.3
601.32562	2.5
602.32562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32016	0.2
57.03330	1.1
57.33903	0.2
59.01265	0.7
61.62883	0.2
63.86450	0.2
69.03337	0.4
71.01267	0.2
71.04918	0.3
73.34340	0.2
81.03321	0.3
82.13973	0.2
83.04906	0.6
93.06987	0.2
97.02856	0.7
97.06492	0.3
109.06525	0.6
111.08089	1.2
123.08074	0.5
125.06049	0.3
125.09677	1.3
125.10457	0.2
127.07535	0.3
127.11201	0.7
137.09621	0.4
139.11185	0.3
141.12778	0.4
148.08464	0.2
149.09605	0.4
151.11198	1.3
153.09177	0.3
153.12804	2.0
155.10692	0.6
161.09648	0.4
163.11246	1.8
165.09198	0.4
165.12801	2.2
166.10057	0.3
167.10733	0.8
169.12288	0.7
177.12776	0.4
179.10706	0.3
179.14395	1.6
181.12329	2.3
183.13959	0.2
185.11829	0.3
191.14391	0.4
193.15967	0.6
195.13846	0.3
197.11819	1.5
198.26701	0.2
199.13426	0.7
207.13911	1.3
209.11824	0.9
211.13406	0.4
213.15001	0.2
215.12917	0.9
217.15883	0.3
223.13419	0.9
225.11348	0.5
227.12889	0.8
228.13628	0.4
241.14407	0.2
241.79823	0.2
245.19148	0.7
247.20712	4.8
248.21123	0.4
263.20212	0.3
265.21829	0.4
273.18750	1.8
281.21237	0.7
289.18228	2.5
291.19739	34.7
292.20108	3.1
293.21194	1.5
307.19220	2.4
308.19412	0.2
309.20792	100.0
310.21130	8.7
311.22375	3.5
312.22629	0.5
398.33255	0.2
461.32632	0.4
473.32800	0.6
491.34061	1.0
525.39398	0.2
565.38837	0.6
583.40149	4.8
584.40613	0.7
601.41266	2.5
602.41833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03088	0.4
57.03333	1.0
59.01270	0.8
61.98420	0.5
61.98724	6.4
65.99753	0.4
69.29981	3.3
71.01287	0.8
72.01596	0.4
72.29304	0.4
72.99182	0.3
78.95822	0.5
79.95637	0.5
80.96410	0.4
81.03352	0.5
83.01279	1.8
85.02833	0.4
85.93320	0.4
88.21750	0.3
89.02339	0.7
96.95916	3.0
101.02309	0.6
102.50822	0.4
109.02872	0.6
121.02861	0.9
125.02367	7.7
137.02379	4.8
138.03098	0.4
143.05042	0.7
154.31593	0.4
155.03780	0.5
161.02371	0.4
163.00339	2.1
164.01126	1.6
165.01920	3.1
167.03459	1.3
168.04543	0.6
170.06003	1.1
171.04477	1.3
174.01927	2.0
175.04070	0.5
177.01917	1.3
180.04294	0.8
182.05920	0.4
183.04472	1.0
184.03992	4.6
187.04002	1.0
189.01904	0.6
189.05565	0.5
196.03957	0.6
197.04767	5.4
197.06383	0.4
198.03656	0.8
198.05579	12.6
198.07315	0.8
199.04027	2.3
199.05905	1.1
201.05597	0.9
203.03520	0.9
209.06180	0.8
210.05629	1.1
211.04050	2.6
215.03488	1.3
215.14503	0.5
225.04364	1.4
226.05106	28.9
227.03499	5.9
227.05496	1.6
227.07307	0.6
228.03366	0.6
230.79272	0.4
237.05557	0.9
238.05075	4.9
239.02126	0.9
241.03909	0.6
242.04700	0.4
243.03061	1.6
249.05734	0.6
251.07152	2.9
252.03154	1.2
254.04649	12.7
255.02899	0.5
255.04857	0.6
255.07028	0.8
259.13507	1.1
261.05597	0.7
265.05219	0.9
265.08823	0.4
266.04678	1.1
269.08255	3.3
270.04095	2.4
275.07120	0.8
277.14401	0.5
278.05719	0.7
278.08432	0.9
279.06641	1.2
280.06607	0.5
282.04172	10.4
283.06470	0.8
288.06729	0.8
292.06436	0.6
293.08313	4.1
294.04114	0.5
294.08478	0.4
296.09363	2.8
303.06729	1.2
306.07907	1.5
307.06250	1.1
308.06055	0.4
310.07397	1.2
316.06317	1.8
319.06470	1.9
320.09448	1.9
321.07645	0.9
322.07565	0.6
326.33609	0.4
329.04672	0.5
330.07935	1.1
331.05621	0.5
334.07468	2.5
337.07260	1.3
347.05685	1.7
349.07050	0.7
358.07172	0.7
364.08374	3.9
365.06897	0.4
374.06784	2.7
384.05136	0.5
392.07712	2.2
402.06149	3.0
403.07129	0.8
408.26324	0.4
420.07370	100.0
421.07742	12.9
438.08368	0.6
439.19693	0.5
601.16223	0.7
601.25238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.0
59.01274	2.4
61.36261	1.3
78.95794	2.0
81.03324	1.5
83.04897	1.8
91.85190	1.3
95.04932	2.5
97.02862	1.9
97.06507	2.7
123.04449	3.9
123.08015	1.4
125.09644	6.6
130.16246	1.2
135.08095	3.6
135.24095	1.2
137.09703	2.0
141.05507	4.5
153.09129	7.6
163.11229	6.4
165.12834	16.3
166.13033	1.4
171.10243	14.7
185.11786	8.3
191.14333	8.2
197.11804	2.1
198.86079	1.4
204.64877	1.4
207.10210	2.1
209.11826	7.1
225.11317	2.4
245.19139	17.5
246.19408	1.6
247.20787	7.7
271.17065	2.4
273.18704	4.0
289.18182	73.7
290.18414	6.5
291.19727	48.7
292.20096	4.1
307.19232	100.0
308.19650	8.1
309.21017	3.1
325.20276	28.4
326.20700	2.7
344.18399	1.7
400.26630	1.5
563.37726	3.9
581.38507	4.3
599.39569	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	599.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78751	0.8
50.78986	0.8
57.03347	1.0
59.01274	1.2
69.53696	0.8
71.53126	1.0
74.13642	0.9
81.03353	0.8
83.01315	1.5
83.04892	1.7
93.96027	0.8
97.02881	0.9
97.06503	1.4
102.25423	1.0
111.08093	1.5
123.04407	1.3
123.08074	1.3
125.09640	2.5
127.11172	1.4
137.09634	1.3
141.09096	1.1
153.12794	3.9
155.10783	1.5
163.11244	3.4
165.12804	1.8
167.10675	1.1
179.10666	0.8
179.14360	2.1
181.12341	4.5
185.11754	2.1
191.14368	2.2
197.11780	2.4
204.77933	0.8
207.13976	2.4
209.11832	12.8
211.54274	0.9
223.25592	0.9
226.12114	0.9
227.12854	2.7
228.13687	1.2
245.19069	4.4
247.20740	3.9
263.20197	1.3
273.18668	1.7
289.18170	10.5
290.18402	1.2
291.19739	26.4
292.20071	2.5
307.19272	9.3
308.88177	0.9
309.20804	100.0
310.21124	8.1
334.48761	0.9
338.52515	1.0
387.91714	0.9
389.97321	1.0
454.90631	0.9
457.33344	1.0
483.31433	5.8
501.32434	8.9
502.32767	2.1
526.81549	0.9
563.37708	1.3
581.38745	2.8
599.39850	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	599.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.8
59.01261	1.4
68.46098	0.5
69.03337	1.1
71.54053	0.7
80.02558	0.6
81.03350	0.9
83.04884	0.5
97.02827	0.8
97.06466	1.2
109.06505	1.3
111.08067	1.9
121.06522	0.7
123.04430	1.8
123.08071	1.5
125.09676	2.6
127.11214	1.2
137.06004	0.8
137.09656	1.5
141.09161	0.5
149.05966	0.6
151.11217	2.2
153.09148	0.9
153.12802	3.3
155.10690	1.2
161.09663	1.2
163.11287	4.3
165.12840	1.9
167.10747	1.3
169.12285	1.0
171.10172	0.6
177.12831	0.8
179.10783	1.0
179.14377	1.2
181.12361	3.5
185.11797	2.4
189.12944	0.6
191.14378	4.3
193.16034	1.0
197.03889	0.5
197.11823	1.3
199.13420	1.0
205.16122	0.7
207.10251	1.8
207.13898	1.8
209.11845	1.5
215.12842	1.3
217.15977	1.2
225.11322	2.1
227.12900	1.0
228.13692	1.1
243.17633	0.6
245.19136	7.8
245.23262	0.5
247.20724	4.4
263.20190	0.9
271.17075	0.7
273.18677	2.6
281.21338	0.8
289.18167	24.1
290.18539	2.1
291.19748	32.2
292.20145	3.9
305.17670	1.7
307.19241	23.5
308.19650	2.6
309.20792	100.0
310.21161	11.3
323.18732	0.8
393.35233	0.6
451.75571	0.5
552.94922	0.6
563.37799	3.8
564.38031	0.8
581.38721	4.4
582.39124	1.0
599.39728	4.4
600.40149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02865	12.2
59.01255	0.7
61.13903	0.5
61.61406	0.5
61.98719	3.8
66.03387	1.1
70.02848	0.6
71.01268	1.2
71.62813	0.9
72.00784	1.0
72.97441	2.4
74.00567	0.9
74.02364	25.1
75.35838	0.5
79.16941	0.6
80.03735	0.7
81.04471	1.8
82.02875	4.3
82.06524	0.6
84.00780	0.6
84.04408	0.7
86.02380	9.9
86.06021	1.3
87.00812	0.6
87.05540	5.2
88.03957	0.8
95.02496	0.6
96.04443	0.8
96.95918	1.6
97.03987	2.5
99.05543	21.7
100.00321	2.4
100.03938	0.8
101.07096	3.0
102.05517	3.9
107.06072	1.4
108.04485	0.9
109.03986	4.7
109.07631	1.2
110.02418	0.5
111.05571	2.4
112.03963	2.0
113.03468	0.6
113.04181	0.7
121.04012	0.7
122.04807	0.5
123.05581	1.8
124.03925	0.6
124.07642	0.7
125.03453	3.0
127.05083	3.2
128.03464	61.4
129.03801	1.2
135.05571	7.2
135.08087	0.7
137.07155	1.4
139.01443	0.7
139.05089	1.0
139.08672	0.8
141.06631	3.4
143.04564	81.0
144.04884	2.1
145.06082	3.3
146.04526	10.1
153.06635	4.1
155.08170	0.7
165.12804	1.3
166.09851	4.1
167.04555	4.3
167.08220	4.7
169.06107	0.8
169.81271	0.5
170.03314	1.6
171.04108	1.5
171.10196	3.5
175.01782	0.7
179.04594	20.9
180.04863	0.5
181.06171	1.5
185.05644	2.3
192.07784	2.1
193.06145	0.6
197.05637	3.9
209.11871	2.9
210.08829	16.2
211.09167	0.7
228.09885	2.1
235.08316	0.6
254.07869	46.0
255.08203	2.3
256.11429	2.0
272.08951	100.0
273.09262	5.3
276.32397	0.5
286.05194	0.6
291.19724	2.7
304.06198	1.3
315.13400	0.5
325.18399	4.9
382.82910	0.6
449.70590	0.5
458.00104	0.6
469.23825	3.6
544.28345	1.2
580.27026	5.3
581.27454	1.1
598.28180	46.0
599.28595	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	599.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18634	3.6
58.00473	8.0
59.01266	100.0
61.98721	23.8
71.01272	80.1
71.15450	8.3
72.99202	5.6
75.00757	9.0
83.01278	4.4
85.02833	13.7
87.00771	6.8
89.02345	89.8
91.84701	3.7
95.01294	6.7
96.95932	8.0
101.02347	40.6
109.02853	4.5
113.02358	32.8
119.03415	36.8
121.02862	6.6
125.02339	6.3
131.03362	4.4
136.01573	4.0
137.02364	5.7
143.03461	8.1
149.02350	9.3
150.03217	4.8
161.04501	8.8
162.03206	32.3
165.05527	5.4
166.06346	6.3
167.03416	5.6
177.05516	35.6
179.05574	49.4
181.08650	5.1
201.71938	4.6
285.03925	4.7
437.05252	5.4
437.18231	9.4
539.20911	6.7
550.16290	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28901	2.9
52.90025	3.4
53.74137	3.1
57.03344	4.0
59.01277	4.9
60.32728	3.2
61.98719	9.7
66.86274	3.2
69.03342	3.8
71.34009	8.8
72.84149	3.5
76.54937	3.4
81.03358	4.5
82.65694	3.0
83.01286	5.1
83.04921	3.8
97.02831	4.7
97.06518	3.7
111.34075	3.0
118.47745	3.3
121.06463	3.6
123.04464	8.9
125.09644	15.6
129.59874	3.1
137.09659	10.4
141.12784	4.9
151.01921	3.5
163.11223	9.2
165.12831	15.6
171.10178	5.6
185.11795	12.6
191.14442	18.0
207.10313	6.5
209.11829	76.3
217.15930	4.1
225.11336	8.3
245.19167	34.7
247.20714	4.1
247.79681	3.7
289.18155	100.0
290.18436	4.7
291.19711	35.5
307.19205	91.2
307.22635	6.3
308.19492	7.9
593.98517	3.9
625.18048	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	598.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.1
61.98721	100.0
62.11901	0.2
67.43008	0.2
69.24727	2.2
71.01291	0.7
71.44109	0.2
72.99200	0.3
73.02836	0.3
74.02395	0.4
74.54260	0.2
88.98722	0.3
89.02377	0.3
97.02863	0.2
99.05541	0.3
101.02385	0.4
120.94330	0.2
123.00799	0.6
125.02367	0.2
128.03496	0.9
136.81822	0.3
143.04599	0.9
160.00673	0.5
161.04480	0.4
163.11450	0.3
171.10278	0.4
202.09727	0.2
209.11916	0.2
210.08865	0.2
221.27206	0.2
243.94485	0.2
254.08131	0.2
272.08966	0.4
288.06619	0.3
306.07706	2.1
344.05087	0.4
345.05307	0.3
346.05557	0.3
374.09805	0.5
375.10071	0.3
376.10416	0.5
473.37842	0.3
594.96362	0.2
598.27899	0.4
615.24902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32381	0.1
53.54789	0.1
59.01267	0.8
61.98720	100.0
62.98422	0.2
69.27769	0.2
69.28127	1.5
69.99401	0.1
71.01275	0.3
86.93517	0.1
88.98724	0.2
89.77579	0.1
96.59888	0.1
98.19819	0.2
101.02329	0.2
113.02363	0.2
121.02880	0.2
123.00796	0.3
124.70146	0.1
125.02354	0.3
127.17773	0.1
137.02423	0.1
155.03105	0.1
160.01613	0.2
171.10202	0.9
204.87787	0.2
209.11938	0.5
312.02856	0.3
313.03091	0.2
343.04691	0.2
344.05191	0.4
345.05261	0.4
346.05359	0.3
359.07599	0.4
360.07712	0.2
361.07913	0.4
373.09512	0.2
374.09753	0.7
375.09836	0.9
376.10287	0.7
501.06644	0.1
537.40082	0.2
598.28998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.1
58.00472	1.7
59.01266	24.8
61.23791	1.0
61.89682	0.9
61.98719	49.4
63.69877	0.8
70.46230	1.5
70.46587	2.7
71.01270	22.9
72.99194	2.4
73.02834	6.4
75.00768	4.0
78.95839	1.0
81.03348	9.5
83.01291	2.6
83.04920	29.4
85.02840	7.8
87.00752	1.8
88.98666	1.1
89.02335	11.7
95.01296	1.6
96.95905	1.3
98.19814	1.0
99.00761	1.2
100.07581	4.1
101.02357	14.4
113.02367	8.1
119.03405	4.0
121.10114	2.2
123.00898	1.1
126.05557	1.2
134.03662	2.9
143.69185	0.9
144.34796	1.0
145.02974	1.0
154.98016	4.7
155.98822	13.9
161.02385	2.6
161.04456	1.1
167.03276	0.9
171.01129	4.3
175.03995	1.8
179.05696	1.8
181.04930	1.4
187.13387	1.5
193.05017	3.5
199.18187	4.9
217.14484	7.3
225.16110	5.6
232.63097	1.1
243.17162	12.1
255.10068	1.1
259.02542	1.1
315.25577	1.3
337.09445	2.2
353.20871	5.3
375.27563	12.7
376.28131	2.0
435.09445	3.5
451.32822	2.7
469.33981	8.8
470.34637	1.9
509.11356	10.5
537.33020	100.0
538.25690	1.6
538.33234	18.5
579.37750	2.1
597.13348	2.6
597.38812	89.0
598.39166	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	597.3063
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
61.98705	1.7
64.38554	0.4
68.92048	0.4
70.76878	1.5
78.95798	65.1
96.96867	12.2
99.26721	0.4
150.97963	1.4
152.99533	100.0
153.99911	1.6
154.34581	0.4
155.37326	0.4
163.54895	0.4
171.00587	2.6
180.40645	0.4
223.00137	10.1
241.01212	25.8
242.01573	0.4
259.02271	1.4
273.72824	0.5
281.24927	73.6
282.25266	7.4
315.04944	12.0
316.05444	0.5
333.05801	0.8
438.11581	0.5
500.67377	0.4
597.30615	99.7
598.30975	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	597.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41856	0.9
55.01771	3.5
57.03342	2.8
58.00478	1.2
59.01268	29.6
60.01648	0.8
61.98716	1.4
69.03338	1.2
71.01273	48.1
71.05468	2.5
72.01603	1.3
72.99197	2.8
73.02841	14.7
75.00766	3.5
75.08690	0.9
83.01292	6.2
83.90995	1.0
85.02851	23.2
87.00779	2.5
89.02336	9.0
95.01284	4.7
96.95928	4.4
97.02863	1.2
99.00794	7.1
101.02351	42.6
109.02859	1.5
111.00800	1.1
113.02361	17.9
116.92739	1.3
119.03429	2.2
121.02879	3.7
122.03670	3.0
125.02345	5.0
129.01846	1.3
135.04504	1.4
137.02367	3.5
143.03487	1.9
147.04457	1.8
150.03188	1.2
154.02707	1.1
159.02954	3.9
159.04391	1.1
161.04509	15.1
165.05522	8.0
167.03444	7.4
179.05586	1.4
179.07068	2.0
187.03935	1.3
195.06529	1.1
203.03525	2.1
205.03325	1.1
215.03265	1.0
231.03030	4.6
232.03575	1.1
233.04561	1.3
255.03130	1.5
336.39771	1.0
346.14319	3.3
361.16693	15.1
362.16702	2.0
375.24020	14.5
381.05988	1.2
399.07306	3.1
419.23022	2.2
537.29309	100.0
538.29614	14.5
550.10095	0.9
561.12677	2.2
597.25848	12.2
598.26086	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	597.2722
Annotation	HEMATOPORPHYRIN
Peak:m/z	Relative Intensity
59.01283	2.0
59.60320	0.7
61.98713	3.0
71.01270	1.1
71.52782	1.1
81.03331	1.1
83.01283	3.7
88.98700	0.9
93.03358	2.3
95.01285	2.7
95.04943	0.9
96.95912	3.3
97.02843	3.5
98.27243	0.8
101.02375	0.9
107.04934	1.3
109.02870	9.3
111.04417	1.6
115.01801	0.7
121.02855	2.5
122.03684	1.0
123.00820	4.9
123.04401	2.8
124.01562	2.7
125.02371	12.7
128.03371	1.2
133.02873	1.3
135.04456	2.9
137.02376	20.9
137.03435	1.0
138.03166	20.5
138.85754	0.8
139.03975	6.8
143.04564	1.5
149.02412	6.1
149.05986	1.0
151.03972	6.5
152.32271	0.7
159.04451	1.6
161.02386	3.1
162.03143	1.4
163.00320	12.3
163.03934	1.0
164.01122	5.0
165.01904	5.4
165.09152	1.4
167.03397	3.0
170.02170	6.8
171.10255	1.1
173.06046	0.8
175.03931	3.3
177.01906	11.2
177.05511	4.2
177.54346	0.8
178.02705	4.2
179.03415	3.5
191.03479	1.5
193.04987	1.0
201.05530	1.2
203.03430	2.5
205.05023	0.8
217.04979	1.5
218.05804	1.3
219.06577	2.5
220.03801	1.6
221.04544	9.8
231.06651	1.1
233.11482	1.0
245.04539	2.3
247.02553	1.8
259.06308	1.1
263.05634	5.1
272.09024	2.2
327.16229	1.1
331.22845	2.0
337.97778	0.9
345.17413	4.0
361.16684	1.9
371.15106	1.4
387.99667	0.8
388.15228	1.4
389.16138	14.6
390.16669	0.9
417.22952	0.8
429.23026	4.0
457.22482	1.9
512.19476	0.8
528.20294	2.6
535.27167	1.4
553.27917	3.9
579.25885	2.8
597.27191	100.0
598.27606	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	597.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.4
59.01264	2.0
69.03348	1.5
71.01269	7.6
71.09898	3.0
73.02845	5.9
83.01259	2.2
85.02854	2.8
87.00775	29.8
93.03343	3.0
96.33149	1.3
96.95947	2.2
97.02877	2.4
99.00768	3.5
100.01568	3.6
101.02325	3.6
108.55628	1.3
109.02841	2.5
111.00796	17.8
112.01118	1.3
112.98719	4.4
113.02406	1.2
113.57179	1.2
115.00296	1.2
121.02891	4.9
122.03671	10.1
123.00808	6.5
123.04426	1.6
125.02319	1.3
127.03928	1.7
129.01909	1.4
131.03448	1.7
133.02892	2.1
135.04478	1.6
136.01506	1.4
142.99777	3.7
149.01222	1.9
149.02396	27.7
149.06013	1.3
150.03172	90.5
151.00331	3.4
151.03914	8.6
152.01093	1.4
153.01816	1.4
161.02409	4.7
163.03967	3.9
164.04741	10.7
165.05530	100.0
166.02728	5.8
166.05930	5.8
173.00925	9.2
173.02260	1.8
174.01691	2.7
175.03964	3.3
176.04755	5.4
177.05496	2.5
178.02888	1.3
178.06372	2.2
179.03445	5.3
179.07114	5.0
180.04221	8.2
181.05080	8.2
190.02783	1.6
191.03450	5.2
191.05440	6.0
191.07130	2.1
194.05861	7.3
195.06615	37.2
196.07039	1.9
203.03485	3.3
205.05009	5.2
206.05847	3.8
207.02858	1.3
209.08220	6.3
219.02991	3.4
219.06689	1.8
221.08263	6.3
229.64821	1.5
234.05307	1.7
235.06152	1.4
247.02522	2.9
247.06134	2.5
249.04114	2.9
249.07738	3.6
261.04111	3.5
262.04770	5.6
263.05612	2.1
264.06464	5.4
265.07248	4.6
276.06421	3.6
277.07193	11.9
300.69836	1.2
325.10208	1.6
326.11816	1.2
337.09335	27.8
338.09702	2.1
346.16037	1.4
369.13571	5.5
407.05688	1.2
411.41885	1.2
413.12527	2.4
443.13437	3.3
461.14697	25.3
462.14944	5.7
473.14432	3.2
491.15820	2.1
521.16742	2.3
531.15094	1.6
533.16620	8.4
579.17487	19.1
580.17938	4.6
597.18433	96.6
598.18726	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	595.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.4
57.03346	2.0
59.01268	25.0
69.03338	1.5
71.01271	39.8
71.52421	2.4
72.01631	1.5
72.99207	5.4
73.02841	12.6
75.00801	1.4
83.01294	5.8
85.02846	18.6
87.00792	2.2
87.97518	1.2
89.02358	10.2
95.01303	3.1
96.95912	10.2
96.96888	2.0
97.02848	1.7
99.00787	5.9
101.02357	33.3
109.02836	1.6
111.00805	1.8
113.02364	14.4
119.03444	4.2
121.02878	2.1
124.73019	1.6
125.02373	4.2
126.02750	1.3
143.03448	1.9
151.03897	1.4
159.02966	3.7
161.04521	15.4
172.21667	1.5
175.03931	1.7
179.05550	1.6
255.03108	3.5
257.04501	1.7
271.02551	6.3
300.02823	8.9
301.03540	3.6
303.46088	1.5
325.10666	2.6
373.22443	14.5
415.23730	2.8
444.47934	2.1
535.27747	100.0
536.28082	15.2
595.12994	11.8
610.73285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
57.03329	2.0
58.00488	2.1
59.01268	37.1
60.01630	0.4
61.98724	3.6
69.03333	0.8
69.35250	3.5
71.01273	46.5
72.01591	0.7
72.99194	2.2
73.02442	0.8
73.02837	11.6
74.03186	0.4
75.00755	0.9
78.27230	0.4
83.01280	5.2
84.43345	0.4
85.02845	14.9
87.00777	2.3
89.02341	23.6
95.01279	3.8
96.95920	0.6
97.02856	1.5
99.00793	3.3
101.02353	35.9
102.02693	0.9
109.02811	0.5
111.00802	1.1
113.02367	16.8
119.03424	9.2
125.02378	4.0
129.01863	0.7
131.03426	1.8
137.02354	0.5
139.00261	0.5
141.01836	0.5
143.03459	2.6
149.02341	0.5
159.02939	2.5
161.04515	12.1
169.25607	0.4
179.05576	3.8
190.02496	0.4
211.03860	0.9
211.17137	0.6
216.08598	0.5
221.06674	1.9
226.07893	0.4
227.07170	2.1
263.07755	1.0
323.09735	0.6
373.22415	21.7
374.22665	2.2
403.13983	0.5
415.23267	0.6
491.38043	0.6
519.46973	0.5
535.27728	100.0
536.28064	15.2
595.24304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.4
57.03346	2.0
59.01268	25.0
69.03338	1.5
71.01271	39.8
71.52421	2.4
72.01631	1.5
72.99207	5.4
73.02841	12.6
75.00801	1.4
83.01294	5.8
85.02846	18.6
87.00792	2.2
87.97518	1.2
89.02358	10.2
95.01303	3.1
96.95912	10.2
96.96888	2.0
97.02848	1.7
99.00787	5.9
101.02357	33.3
109.02836	1.6
111.00805	1.8
113.02364	14.4
119.03444	4.2
121.02878	2.1
124.73019	1.6
125.02373	4.2
126.02750	1.3
143.03448	1.9
151.03897	1.4
159.02966	3.7
161.04521	15.4
172.21667	1.5
175.03931	1.7
179.05550	1.6
255.03108	3.5
257.04501	1.7
271.02551	6.3
300.02823	8.9
301.03540	3.6
303.46088	1.5
325.10666	2.6
373.22443	14.5
415.23730	2.8
444.47934	2.1
535.27747	100.0
536.28082	15.2
595.12994	11.8
610.73285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2809
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
57.03331	0.3
58.62452	0.3
59.01265	0.9
61.98711	0.8
63.96124	0.9
67.41479	0.3
71.01268	7.3
71.52942	0.3
71.53315	0.4
73.02841	1.4
78.98486	4.4
79.95631	8.7
80.96413	59.2
81.03329	0.7
81.96378	0.4
82.95996	1.0
83.01246	0.5
85.02847	2.4
87.00790	2.2
93.97307	0.4
94.97989	13.7
95.01278	0.6
96.95911	0.9
97.02858	1.3
99.00784	0.5
101.02353	2.5
106.97986	2.7
113.02354	0.4
121.02858	0.8
122.97509	5.4
125.02371	4.0
127.03925	0.8
134.97522	4.1
136.99072	1.0
137.02348	0.7
148.99075	6.1
152.98575	6.5
164.98602	10.8
165.01897	0.5
167.00201	0.5
179.00386	0.5
182.99658	2.1
195.13875	1.4
206.99678	2.7
225.00749	19.6
226.01054	0.6
243.01872	1.4
277.22089	0.6
295.22733	1.0
296.23172	0.5
299.04459	3.1
305.06760	0.4
317.05563	0.4
416.14713	0.4
595.28052	100.0
596.28387	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	595.2906
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01263	0.8
62.43370	0.4
62.96326	0.4
66.54688	0.4
67.37238	0.4
70.92223	1.2
78.95798	65.2
96.96867	11.5
103.66344	0.4
150.98000	1.4
152.99536	98.1
153.99870	1.5
155.62071	0.5
171.00633	2.9
215.90887	0.6
223.00133	11.4
241.01224	24.5
242.01591	0.6
259.02289	1.6
262.37921	0.4
279.23364	65.8
280.23785	6.9
315.04959	14.8
316.05347	1.2
333.05948	1.1
509.60922	0.5
579.04108	0.5
595.29034	100.0
596.19745	0.9
596.29376	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	595.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	0.7
57.03347	0.6
58.00466	0.5
59.01267	10.1
60.74874	0.4
60.99202	0.6
61.98713	4.8
65.00222	1.2
69.03346	0.5
71.01272	7.9
71.46274	0.7
72.99209	2.1
73.02837	2.8
75.00790	0.8
83.01258	1.8
85.02851	4.2
87.00794	0.5
88.98698	2.3
89.02335	3.7
91.01830	0.7
93.03363	3.1
95.01312	0.7
96.95926	1.0
97.02879	0.8
98.57148	0.4
99.00808	1.0
99.23550	0.4
101.02350	6.7
103.03918	2.5
107.01308	1.5
108.02089	1.3
109.02911	0.7
111.00798	0.4
113.02380	2.1
119.01314	4.1
119.03414	0.9
119.04939	0.7
121.02876	82.1
122.03210	3.2
123.00780	0.6
123.04449	1.0
125.02379	3.4
131.01277	0.4
133.02899	0.6
134.03680	1.8
135.04453	7.3
136.01587	1.3
137.02412	2.1
139.03793	0.4
143.03421	0.6
145.02869	1.0
147.00829	5.6
147.04439	0.6
149.02391	10.6
150.03059	0.5
150.98431	0.4
151.00317	8.6
151.03958	0.7
152.01170	2.2
161.02399	1.2
162.03111	0.9
163.03970	2.6
163.06039	3.5
163.61942	0.5
164.03424	0.7
164.04745	9.4
165.01868	1.6
165.05350	0.4
167.03505	0.9
169.05061	0.9
175.00327	28.5
176.00777	1.5
177.01936	0.9
179.07118	1.4
180.89781	0.4
189.01884	1.0
190.02693	70.7
191.03079	4.8
192.04260	0.4
193.01466	0.6
194.02211	0.5
197.11922	0.4
205.05054	72.5
206.05420	3.7
207.02989	0.8
208.03764	1.1
209.04491	1.9
223.06134	9.1
223.80682	0.4
224.06367	0.8
227.07153	5.4
228.07541	0.7
251.05659	0.8
271.02493	0.6
287.05658	6.1
288.05942	0.9
299.02106	0.8
307.10660	4.0
308.10724	0.4
314.04376	0.8
329.06790	0.7
357.06186	1.4
372.08514	1.6
373.09329	0.9
429.14059	10.8
430.14410	1.7
433.28214	0.8
535.14600	1.4
565.22955	1.4
580.25452	1.3
595.27594	100.0
596.14020	0.7
596.27960	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	595.2776
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
55.01768	0.3
57.03349	0.4
59.01266	2.1
61.98721	0.9
63.00575	0.2
65.00220	0.6
68.99675	0.2
70.73816	0.5
70.74191	0.4
71.01273	2.9
72.99210	1.0
73.02844	0.8
75.00769	1.2
78.76504	0.2
78.99834	0.2
83.01252	0.5
85.02848	1.5
87.00771	0.5
88.98620	0.2
89.02331	0.4
91.01803	0.9
91.60177	0.2
93.03358	1.0
99.00781	0.3
101.02352	1.3
106.92825	0.2
107.04906	0.5
113.02367	1.0
114.83046	0.3
119.01317	3.5
119.88339	0.2
121.02879	2.9
123.04445	0.4
130.97322	0.2
134.03653	1.4
135.04442	1.5
137.02325	0.3
147.00821	4.6
147.04437	0.4
148.01404	0.2
149.02394	8.9
150.03064	0.6
151.03903	0.3
152.01064	1.1
161.02400	0.4
162.03159	0.4
163.04004	2.6
164.04745	7.5
165.01917	0.9
165.05333	0.3
167.03389	0.3
169.05008	0.6
175.00334	24.7
176.00685	1.6
177.01921	0.4
179.07126	1.7
189.01910	0.6
190.02699	62.3
191.03078	3.8
191.14357	0.3
192.04388	0.3
193.01517	0.3
195.02985	0.3
201.45462	0.2
205.05057	63.7
206.05397	4.1
207.02975	0.8
207.06726	0.3
208.03763	1.3
209.04512	2.2
223.06140	8.8
224.06526	0.4
234.98198	0.2
236.90257	0.2
251.05663	1.0
255.89957	0.2
565.22955	1.4
580.25275	1.1
581.25519	0.3
595.27765	100.0
596.28107	17.9
619.22894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46538	0.4
57.03309	0.5
59.01268	6.2
61.98723	9.2
65.00199	0.6
71.01271	6.0
71.04916	0.5
71.52509	0.3
72.99204	3.1
73.02837	1.4
75.00777	0.7
78.95795	0.4
83.01285	1.0
85.02835	2.3
86.09071	0.4
87.00784	0.6
88.98691	1.7
89.02326	2.1
91.01798	1.5
92.45401	0.4
93.03372	1.1
95.01291	0.7
96.95902	1.7
99.00776	0.5
101.02349	3.6
107.04946	0.6
108.02077	0.5
109.02885	0.7
113.02344	2.0
116.92747	0.6
119.01301	3.0
119.03435	0.7
119.04905	0.4
121.02882	3.9
123.00758	0.4
123.04418	0.9
124.01559	0.5
125.02356	1.1
127.92686	0.4
132.15683	0.3
133.02907	0.4
134.03667	1.2
135.04457	2.1
137.02362	0.8
145.02876	0.4
147.00822	3.5
147.04514	0.8
149.02391	10.3
150.03107	0.6
151.03940	0.8
152.01109	1.2
153.01921	0.5
155.10733	1.8
161.02361	0.7
161.04497	0.7
163.03970	2.3
163.06070	0.5
164.04745	11.0
165.01857	1.4
165.05418	0.8
167.03493	0.5
169.05060	0.7
171.10240	0.4
175.00334	22.4
176.00726	1.2
177.01915	0.7
179.07117	1.5
183.08171	0.7
189.01920	0.6
190.02698	61.2
191.03108	3.8
205.05061	61.5
206.05411	4.3
207.02974	0.5
207.06792	0.4
207.10229	0.4
208.03694	1.3
209.04483	2.6
223.06137	12.7
224.06503	0.7
225.07796	0.4
227.07172	6.3
227.16583	1.2
228.07349	0.7
236.03166	0.4
251.05701	0.7
251.08119	0.4
259.04449	0.5
265.07132	0.4
281.06750	0.6
373.25922	1.1
459.61572	0.4
529.68451	0.4
535.27484	4.8
536.28333	0.4
545.14398	0.3
565.23083	1.1
580.25470	1.2
595.27765	100.0
596.28088	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	595.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03356	0.6
57.46940	0.7
58.00478	1.6
59.01267	64.7
60.01615	0.9
61.98717	5.9
65.03835	0.7
69.03353	2.5
71.01273	32.0
71.20163	0.8
71.20481	1.1
72.99210	3.7
73.02840	13.0
75.00764	6.1
81.03359	1.6
83.01283	3.5
85.02853	9.7
85.85529	0.6
87.00761	1.8
88.98734	1.0
89.02341	20.4
91.00516	0.6
93.03363	85.4
94.03697	2.6
95.01288	2.4
96.95937	1.4
97.02869	4.9
99.00780	2.2
101.02352	30.3
102.02589	0.9
103.03919	22.3
104.04253	1.1
105.02119	0.9
107.04932	5.6
108.02100	3.6
113.02354	2.8
115.03917	1.0
119.03440	12.2
119.04955	1.2
121.02879	47.5
122.03212	1.8
123.04424	0.9
125.02374	24.7
127.03954	3.5
131.03409	1.1
133.01624	3.5
134.02400	3.5
135.04413	1.0
136.01614	2.0
137.02380	83.8
138.02728	2.7
143.03464	2.2
145.02979	0.9
145.04971	4.9
149.02356	1.2
151.00346	1.0
151.03928	3.2
161.02397	1.1
163.06070	22.1
168.07069	0.8
179.03491	3.8
187.30640	0.7
190.02626	1.0
196.64044	0.7
197.06082	13.8
199.07622	5.6
205.07166	2.2
209.06075	2.1
211.89899	0.8
221.04485	1.1
225.05702	0.8
227.07155	100.0
228.07483	7.8
240.48732	0.7
243.03017	0.9
247.08319	7.0
256.06137	0.9
271.02484	0.8
271.06219	0.8
281.06726	5.2
289.09476	1.4
299.02060	2.6
307.10394	19.0
308.10687	1.6
314.04456	2.5
323.07748	1.6
329.06882	2.8
357.06152	5.2
358.06931	1.2
366.89084	0.8
372.08649	4.5
373.09344	2.9
427.12552	41.6
428.12842	4.6
497.17697	0.9
519.32166	1.1
535.14661	7.1
536.15271	1.3
550.94482	0.8
568.15039	0.8
595.15735	6.2
595.26483	1.0
596.16486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1687
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
54.64662	0.5
58.15899	0.5
59.01269	0.7
65.00200	1.2
69.03353	0.7
69.62988	4.6
71.01266	1.6
73.02820	1.0
75.00772	0.6
79.01769	1.8
81.03343	1.9
83.01273	3.1
91.05404	0.5
93.03357	5.2
95.01286	2.0
95.04922	1.4
97.02880	3.7
103.05470	0.6
105.03298	0.5
107.01295	7.2
107.04946	1.5
109.02872	3.4
111.00808	1.2
111.04439	1.9
111.21288	0.5
113.02366	1.4
117.03370	1.3
119.04950	37.4
120.05284	1.0
121.02863	3.6
123.00810	2.3
123.04435	2.7
125.02370	7.5
133.02863	1.4
135.04459	3.1
136.01553	0.7
137.02382	5.4
137.06013	0.7
139.03961	4.8
143.04967	5.1
145.02904	7.7
147.04453	1.4
149.02371	3.7
150.03148	1.6
151.00345	4.9
151.03929	2.2
155.03407	0.7
159.04510	1.2
161.02379	1.4
161.06020	2.5
163.00316	2.6
163.03955	3.1
164.01170	1.0
164.04713	0.9
165.01894	6.0
165.05591	0.9
167.03459	8.8
173.02414	0.7
175.03931	1.5
176.04645	0.6
177.01949	6.2
177.05557	1.4
178.02643	1.6
179.03491	3.6
181.05090	1.0
187.03984	6.2
189.01958	0.9
190.02504	0.7
190.99922	0.8
191.03508	3.2
192.00726	0.8
193.01401	8.8
197.04527	2.4
197.06105	0.9
199.07652	2.7
201.09154	0.6
203.03511	1.0
204.00566	0.7
205.01427	7.1
205.04861	0.9
206.02048	0.7
207.02985	3.6
209.04559	3.7
217.01392	1.2
219.02992	3.6
221.04443	1.4
223.02443	1.7
223.07722	0.8
227.07240	2.7
228.07307	0.6
229.05157	0.8
231.02921	0.7
233.04604	1.7
235.02509	12.2
239.05508	1.3
240.08052	0.6
241.93288	0.6
243.06639	1.4
245.08298	1.1
247.02524	1.7
249.04077	2.1
261.04111	2.1
265.03574	3.9
265.08655	1.0
271.06311	2.9
277.03488	0.9
283.06195	1.2
297.07782	0.8
313.03845	1.2
313.07269	13.9
314.07568	1.6
325.07294	5.9
326.07730	0.9
337.07266	1.0
343.08380	5.5
344.08643	1.0
353.06772	0.8
355.08319	74.5
356.08658	8.0
367.08514	3.9
369.09662	1.0
385.09381	61.9
386.09772	6.8
397.09436	3.6
415.10489	17.8
416.10849	2.3
427.10205	1.5
439.10519	0.7
457.11508	7.3
458.11765	1.2
469.11002	0.9
471.64493	0.6
475.12613	38.4
476.12836	4.8
487.12610	5.1
505.13678	9.8
506.14185	0.9
577.15753	3.2
578.16083	0.8
595.16852	100.0
596.17224	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	595.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	14.9
60.01610	0.2
60.45227	0.2
61.98716	2.7
65.00227	0.2
68.99720	0.2
71.01278	0.6
71.72578	0.1
75.00777	0.9
77.37621	0.2
88.98692	1.2
89.02352	0.4
93.03351	0.2
95.01300	1.1
96.95899	0.4
101.02386	0.3
108.60371	0.1
109.02792	0.2
116.91810	0.2
120.94835	0.2
121.02878	0.3
123.00799	7.6
124.01596	1.4
125.02369	0.6
135.00841	0.2
137.02371	0.3
138.03197	0.2
149.02422	0.2
161.02414	0.2
161.04483	0.2
163.00430	0.2
163.04028	0.2
165.01874	1.0
175.04100	0.2
177.01918	0.4
193.05011	0.2
199.04031	0.2
211.20172	0.2
213.01965	0.7
215.03572	0.2
227.03508	0.8
228.04327	0.4
241.01485	0.3
242.02306	0.2
243.02931	0.3
245.00882	0.2
245.04567	0.6
254.02348	0.2
255.03067	1.4
256.03818	2.2
257.00943	0.4
265.56744	0.2
267.03036	0.4
268.00110	0.5
269.01001	0.8
269.04562	0.2
270.01694	0.6
271.06241	0.4
272.03360	1.6
273.11584	0.3
275.05954	0.2
279.12396	0.4
281.04651	0.5
282.01715	0.4
283.02515	3.6
284.03311	2.5
285.00531	4.4
285.03931	0.7
285.18723	0.2
286.00983	0.4
287.12875	0.2
291.12357	0.2
291.19812	0.5
295.99579	0.5
297.00507	4.9
297.03992	0.9
298.01236	3.2
298.04599	0.3
299.02356	0.2
299.05679	2.9
300.02859	4.3
300.05881	0.2
301.03247	0.4
309.20828	1.0
311.02069	10.5
312.02823	16.4
312.72949	0.2
313.03549	8.7
314.03949	0.6
315.05185	7.2
315.08868	0.4
316.05490	0.7
325.03607	1.1
326.04391	4.0
327.05161	2.9
328.02310	1.2
328.05688	0.4
341.02621	0.4
341.06747	8.0
342.07126	0.7
343.04669	45.1
344.05026	4.3
358.07028	41.2
359.07373	4.8
373.09366	100.0
374.09689	11.2
379.19266	0.2
397.20062	0.3
415.21194	1.1
433.22324	2.1
535.21490	0.2
595.27887	3.2
596.28021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.3
59.01266	27.4
60.99185	0.5
61.98418	0.4
61.98719	5.7
70.99522	0.3
70.99867	0.6
71.01273	0.6
78.95819	0.6
88.98698	3.5
89.02333	0.7
98.23632	0.2
101.02378	0.5
123.00835	0.3
123.35482	0.3
125.02361	0.7
132.27614	0.2
152.99515	0.3
161.18515	0.3
165.01874	1.9
181.08824	0.3
203.03340	0.3
220.31546	0.3
228.04254	0.7
229.01416	1.2
241.01297	0.5
242.02200	0.5
243.03015	0.5
244.03726	2.6
255.03065	0.5
255.15033	0.3
256.03857	2.9
257.00955	1.1
257.04510	1.0
269.00977	0.8
269.04489	0.2
270.01477	0.3
271.02570	1.9
272.03317	1.8
273.00546	0.4
275.02066	0.4
283.02557	1.5
284.03339	4.8
285.00531	5.9
285.03909	1.0
286.01404	0.5
286.04816	1.0
287.05655	0.9
288.02798	1.3
297.00452	0.8
298.01260	1.3
299.02051	0.6
299.05664	0.9
300.02802	4.5
301.03485	0.8
311.01746	0.4
312.02887	1.8
313.00018	0.7
313.03632	1.4
314.04391	2.4
315.05145	4.9
316.05524	0.4
328.02206	1.5
329.03137	0.4
329.06708	3.9
330.07153	0.5
342.03735	0.4
343.04657	54.5
344.05023	6.0
357.06277	3.5
358.07013	26.9
358.11649	0.6
359.07510	4.5
372.08731	0.4
373.09357	100.0
374.09705	10.6
477.10321	1.1
535.14673	7.6
536.15173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30525	0.2
59.01269	0.6
63.02291	0.4
65.00209	0.5
65.19556	0.2
69.33950	0.6
69.34363	1.4
71.01268	0.4
73.02903	0.2
74.04454	0.2
107.01299	0.7
121.31167	0.2
122.62475	0.2
123.00840	0.4
124.01588	1.6
125.02386	0.6
135.00816	0.4
136.01665	0.4
137.02371	0.4
145.02936	0.2
148.01627	0.3
151.00327	3.4
152.01024	0.7
153.01857	0.3
161.02422	0.3
163.00255	0.6
164.01138	1.6
169.01459	0.3
175.03905	0.3
178.99832	5.6
180.00235	0.3
185.02347	0.3
187.04163	0.3
192.00597	0.3
199.03973	0.4
203.03508	0.9
204.04320	0.3
213.02055	0.3
214.02728	5.2
215.03354	0.9
227.03404	0.4
231.02968	0.3
232.03749	0.6
241.01453	0.2
242.02248	4.1
243.02963	3.0
244.03557	0.4
259.02515	6.4
260.02988	0.4
270.01752	6.6
271.02536	34.0
272.02905	2.8
287.02051	20.2
288.02606	2.7
315.01556	1.8
316.02307	100.0
317.02750	9.9
318.03635	0.3
595.13177	79.4
596.13513	12.2
596.23334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72584	0.7
59.01268	6.2
59.21550	0.8
61.98719	1.6
63.02283	0.9
63.54183	0.7
65.00208	2.0
69.39544	7.8
71.01274	4.7
72.99210	1.4
73.02847	0.9
81.95046	0.8
83.01276	1.5
85.02850	2.0
87.00771	1.1
89.02336	2.4
94.58937	0.8
95.01292	2.3
96.95902	3.3
98.19749	1.5
99.00770	1.4
99.92485	3.4
100.64552	0.8
101.02340	2.8
107.01305	2.3
108.02057	1.1
109.02891	2.2
109.99996	6.2
111.00803	2.7
113.02380	0.9
116.92773	48.4
117.92764	2.9
121.02890	1.3
123.00795	2.8
123.04440	2.3
124.01556	2.8
125.02360	1.5
128.83745	0.8
129.34267	0.8
133.02890	0.9
136.98726	1.3
137.02348	1.0
137.99532	2.8
139.00319	7.3
146.03638	1.1
149.02400	0.8
151.00311	9.5
152.01109	5.2
153.01808	1.1
153.05513	2.8
155.05020	0.9
159.04440	1.1
161.02354	2.4
161.04552	1.2
163.00336	2.2
164.01100	2.2
165.99033	8.6
166.99797	3.6
169.01367	0.9
171.04469	0.9
172.05121	0.9
173.02426	1.4
174.03156	1.6
174.70955	0.9
175.03911	1.5
177.05667	0.9
178.99805	11.3
180.00082	0.8
187.04002	1.2
189.01895	1.3
189.05460	0.9
194.99385	1.1
197.11806	2.0
198.03296	1.4
199.03978	3.3
201.01944	2.0
202.02708	1.0
203.03406	2.8
211.03899	1.0
213.01923	1.4
214.02690	2.3
214.85503	0.8
215.03464	3.4
216.04279	1.5
217.05019	0.9
219.23886	0.8
226.02614	2.1
227.03543	5.9
229.01414	1.7
230.02199	1.2
231.03044	3.3
241.01482	1.3
242.02243	5.2
243.03033	9.5
244.03706	1.9
255.03033	6.4
256.03491	0.8
259.02588	4.1
260.03162	1.5
261.04089	1.0
270.01758	5.8
271.02542	35.3
271.05490	1.7
272.03116	4.8
273.03864	1.9
287.02057	16.1
288.02716	8.3
298.01190	2.2
299.02020	35.2
300.02478	5.5
301.03485	2.1
302.03870	1.3
315.01547	2.8
315.05090	1.1
316.02307	67.9
317.02930	10.4
318.03412	0.9
330.03955	1.3
347.04108	1.4
375.03970	1.3
376.04211	2.5
428.57544	0.9
535.31635	14.2
539.10480	3.8
577.12488	2.1
584.60693	0.9
595.13153	100.0
596.13519	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	593.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62381	0.4
54.67144	0.4
59.01263	1.2
69.97894	0.9
69.98285	1.1
71.19509	0.4
78.95798	62.1
96.96864	12.3
96.97501	0.6
98.19910	0.5
149.38118	0.4
150.97963	1.2
152.99532	92.2
153.98615	0.4
153.99857	1.9
171.00594	3.0
180.04625	0.5
223.00140	10.3
223.02345	0.5
224.00461	0.5
241.01228	24.5
242.01419	0.6
259.02371	1.0
259.20703	0.8
277.21790	44.2
278.22116	4.4
303.68774	0.5
315.04971	14.7
316.05215	0.6
333.05884	0.9
473.69736	0.4
593.27460	100.0
594.27820	17.4
620.53290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	4.0
59.01269	59.2
61.98721	36.7
63.27477	2.1
69.33038	20.0
71.01273	67.1
72.99213	10.7
73.02843	15.0
75.00745	3.6
75.20744	1.9
82.97295	1.8
83.01284	5.8
85.02845	23.6
87.00774	6.5
88.98726	4.8
89.02339	41.2
95.01301	3.9
96.95919	6.6
97.02845	3.0
97.62772	1.9
99.00784	5.4
101.02349	59.5
107.04943	2.0
113.02361	22.8
116.92791	8.9
118.03576	2.3
119.03419	16.4
119.04926	3.4
125.02369	12.5
131.03436	4.8
137.06029	2.6
143.03456	4.9
149.04475	2.0
153.01881	4.6
159.02888	2.2
161.04521	21.3
167.03468	3.4
169.12175	2.6
177.01895	3.1
179.05595	34.5
193.50404	2.1
206.15958	1.9
221.06593	10.0
223.06117	3.4
225.07820	2.7
236.70023	2.2
264.22641	2.0
269.17657	6.1
285.04367	2.7
285.07745	6.5
339.06940	2.0
339.29895	2.2
371.20758	5.9
533.26068	100.0
534.26398	11.6
593.23669	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	593.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	4.7
59.01267	22.5
61.98718	17.5
69.03339	1.1
69.57044	1.8
69.57437	7.2
71.01269	29.3
72.01588	0.8
72.99203	1.8
73.02476	1.4
73.02844	8.9
73.30544	1.0
75.00779	1.5
83.01279	4.0
85.02850	11.9
87.00762	1.1
88.98730	1.0
89.02348	9.0
95.01306	1.4
96.95913	3.3
97.02846	2.0
99.00768	4.5
101.02357	18.7
109.02876	0.9
113.02361	11.8
114.90338	0.8
115.91920	0.8
119.03441	1.3
119.04974	1.4
125.02386	12.8
131.03474	1.6
135.04521	0.9
137.02335	1.2
139.04004	1.0
143.03476	0.9
149.02304	1.3
149.04501	2.0
149.06000	0.8
155.03401	1.4
159.02901	2.0
160.18248	0.8
161.04510	6.8
163.04001	1.2
167.03691	0.8
177.01933	1.3
205.05188	1.3
255.02991	1.5
268.91827	1.1
271.02621	1.9
285.04007	1.0
315.01465	1.2
316.02396	3.6
331.04547	2.1
357.22876	1.8
371.24124	1.1
372.20599	1.0
387.09805	1.1
397.64017	0.8
401.25476	3.7
413.03134	1.5
493.13922	1.4
505.30341	3.3
506.30609	0.9
515.28857	2.1
533.29828	100.0
534.30054	16.8
540.14838	1.3
593.15039	6.9
594.14526	4.2
594.24854	1.3
614.43585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	22.6
61.98717	2.7
69.22532	4.1
69.22961	3.4
70.50243	0.7
71.01265	1.9
76.07602	0.7
78.95787	11.0
79.95631	2.1
80.96414	6.1
82.95997	3.3
83.89922	0.7
87.40761	0.7
94.97961	1.1
96.97567	0.9
98.19825	1.3
113.09632	2.0
113.47073	0.7
125.02341	0.7
137.02287	0.8
148.99124	1.0
152.99498	3.1
153.45386	0.8
168.04289	2.1
179.14467	1.3
190.31767	0.7
195.13898	22.7
196.14232	1.5
224.06931	1.3
225.00768	1.2
242.07965	3.6
259.20728	0.8
277.21790	18.1
278.22128	2.3
295.22858	100.0
296.23221	11.1
374.34085	0.8
449.23416	1.6
520.30585	85.7
521.30865	14.3
594.25903	13.2
595.26672	2.6
610.70129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2653
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.20741	0.3
59.01257	0.6
63.96126	0.8
65.53101	0.2
69.03329	0.5
69.39766	0.3
71.01273	6.0
71.03831	0.7
72.38281	0.3
73.02839	1.3
78.98490	5.0
79.95630	33.7
80.96413	53.1
81.03374	0.5
83.01237	0.3
85.02848	2.4
86.81824	0.2
87.00783	2.3
91.55950	0.3
93.97201	0.3
94.97990	12.9
96.95910	1.4
97.02863	1.5
99.00800	0.5
101.02347	2.4
106.98005	2.6
113.02366	0.4
122.96672	0.3
122.97496	5.1
124.38033	0.2
125.02393	2.8
127.03932	0.8
134.97516	4.7
136.99060	1.9
148.99083	5.1
152.98587	6.4
161.04626	0.5
164.98582	9.9
165.98863	0.3
167.00067	0.3
174.26308	0.2
179.00204	0.5
182.99644	2.6
188.98544	0.4
195.13837	0.6
197.01279	0.5
205.62610	0.3
206.99689	3.5
225.00761	19.4
226.01041	0.6
241.00275	1.2
242.33119	0.3
243.01791	2.2
289.04471	0.3
293.21420	0.7
299.04517	4.5
315.04053	1.4
317.05692	0.4
371.06677	1.7
385.08118	1.1
399.09753	2.4
413.11487	1.6
427.13156	0.4
440.25470	0.3
441.14444	1.0
455.16028	3.0
465.06262	0.3
481.17932	0.6
495.19327	1.9
502.66000	0.3
523.18781	1.0
524.19495	0.7
593.26514	100.0
594.26855	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	593.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46080	0.4
55.11949	0.4
59.01257	1.5
61.98734	1.8
62.86201	0.3
63.96120	0.7
69.03352	0.5
69.78984	1.9
71.01273	6.5
71.23344	0.3
73.02840	1.5
74.29536	0.3
78.83520	0.3
78.98476	3.9
79.95632	32.5
80.96415	48.5
81.03364	0.9
81.96384	0.4
82.95978	0.5
85.02856	2.5
87.00773	1.7
88.35764	0.3
89.02339	0.4
94.97993	10.9
96.95912	1.4
97.02868	1.6
98.19875	0.8
99.00774	0.6
99.04436	0.4
101.02364	2.5
106.61395	0.4
106.97985	2.3
117.02734	0.3
122.97511	5.0
125.02367	2.5
127.03928	0.5
129.95049	0.4
134.97513	4.5
136.99074	1.1
148.99104	5.3
152.98572	6.3
152.99684	0.6
161.04468	0.5
164.98596	9.8
182.99651	2.7
188.98451	0.4
195.13939	0.8
197.01288	0.5
206.99690	2.9
225.00761	16.4
226.01151	0.8
241.00244	1.0
243.01886	2.1
263.75873	0.3
293.21329	0.7
299.04547	4.2
315.04071	1.0
371.06613	1.4
385.08249	1.1
399.09808	0.8
413.11530	1.2
427.12857	0.7
441.14511	0.7
454.71069	0.4
455.16345	2.1
486.62454	0.4
495.19254	1.6
501.30942	0.7
523.18597	0.8
524.19177	0.5
593.26532	100.0
594.26874	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	593.1528
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01266	3.2
61.98711	1.0
64.45062	0.4
71.01279	1.8
71.09488	1.1
73.02837	0.5
83.01297	0.7
83.08342	0.3
85.02843	0.5
89.02354	1.0
95.01263	0.4
96.95897	2.0
101.02335	0.9
101.03857	0.4
107.01298	1.3
113.02347	0.6
120.63488	0.4
125.02373	0.6
131.25513	0.4
143.04977	0.5
145.02928	1.2
151.00311	4.4
152.01013	0.7
155.04982	0.6
157.02925	0.4
159.04364	0.4
160.01569	0.9
161.02362	0.6
171.04448	0.6
175.03961	0.7
178.99754	1.1
179.40762	0.4
183.04480	1.7
187.03986	0.9
199.03972	5.2
200.04424	0.4
201.01904	0.5
203.03529	0.7
211.04018	0.9
215.03491	2.0
226.02681	0.5
227.03516	5.8
228.03740	0.5
241.33781	0.4
242.02170	2.6
243.03012	21.1
244.03323	1.8
255.03024	11.7
256.03433	1.5
257.04587	3.0
270.01785	2.4
271.02545	30.9
272.02930	3.1
284.03314	0.5
285.04092	7.6
286.04898	2.7
287.05597	0.9
299.02039	70.6
300.02615	12.1
301.03201	0.9
313.03629	1.5
314.04398	64.5
315.05020	16.9
316.05618	1.0
339.05109	0.5
343.25299	0.5
405.02808	0.6
415.03348	0.6
431.09946	1.3
443.09906	1.1
461.11191	0.5
505.30310	0.8
533.29871	9.4
534.30243	0.9
593.15253	100.0
594.15765	18.8
594.23267	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2655
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03333	0.9
59.01269	0.9
61.98710	1.8
63.96116	0.9
69.03345	0.7
69.79339	2.0
71.01277	7.4
73.02857	1.9
78.98489	5.9
79.95626	9.4
80.96414	58.5
81.03342	0.8
85.02845	2.7
87.00786	2.5
93.03400	0.5
94.97992	14.8
95.01324	0.4
96.95931	1.2
97.02869	1.6
99.00788	0.5
101.02359	2.9
106.98006	2.6
113.02348	0.8
113.09654	0.8
120.02083	0.4
121.02879	68.7
122.03210	3.3
122.97494	6.0
124.01608	0.5
125.02376	2.7
127.03929	0.8
134.97505	3.9
136.99109	1.6
148.99112	5.4
152.98573	7.0
164.98593	11.8
165.01875	3.4
167.00168	0.6
180.05673	0.4
181.06546	2.2
182.99680	2.7
188.98715	0.4
197.06071	1.0
206.99643	3.0
207.04417	0.7
209.04550	38.8
210.04823	2.7
225.00769	18.7
225.05588	1.3
226.01161	0.6
243.01819	1.7
257.09769	0.5
293.21307	2.6
299.04401	2.6
309.20865	0.9
313.07294	1.0
317.05264	0.4
357.06256	0.6
383.07941	0.4
417.09943	0.7
505.11682	1.8
506.12183	0.4
515.07501	0.4
549.10590	4.3
550.11029	1.0
593.13318	6.5
593.26532	100.0
594.13513	1.5
594.26886	16.6
606.62250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79248	0.2
59.01265	1.8
62.03876	0.2
63.02291	0.6
65.00220	0.3
69.71815	1.6
69.90520	0.2
72.99189	0.3
76.97555	0.2
83.01300	0.5
85.02855	0.3
86.12050	0.3
89.02348	1.1
93.03368	0.6
96.95943	0.6
99.00812	0.3
101.02357	1.4
107.01302	1.6
113.02356	0.7
117.12167	0.2
119.03414	0.4
125.02395	0.4
132.02080	1.3
135.00815	0.9
143.04919	0.5
151.00323	3.3
159.04488	0.4
161.02477	0.4
161.04472	0.4
163.00291	1.2
164.01108	0.5
169.01381	0.4
178.99840	1.0
179.03465	0.4
179.05537	0.6
183.04449	0.8
185.06018	0.5
187.03955	1.1
195.04674	0.4
199.04027	0.8
200.04739	0.5
211.03975	1.8
213.05568	0.5
214.02620	0.2
227.03520	35.4
228.03877	3.2
229.05113	2.8
230.05403	0.3
239.03496	1.0
240.04178	0.4
241.05170	0.3
255.03044	72.3
256.03546	9.2
257.04547	2.3
281.04510	0.3
283.02527	2.2
284.03339	100.0
285.03992	27.0
286.04492	1.8
309.03998	0.5
327.05371	0.3
413.08859	2.2
431.09915	0.5
431.19388	0.3
511.60074	0.3
533.26038	2.0
593.15259	91.8
594.15625	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	593.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59430	0.3
59.01245	0.6
63.02289	0.5
65.00212	0.6
68.16186	0.3
71.62476	0.5
81.03384	0.4
83.01269	0.4
87.00775	1.0
89.73520	0.3
93.03363	0.5
96.95908	0.9
96.96874	0.3
107.01295	1.6
108.02090	1.2
109.02876	0.4
123.04448	0.4
125.02332	0.5
132.02087	0.9
135.00778	1.2
145.02899	0.4
149.02469	0.4
151.00323	3.4
152.01132	1.9
153.01892	0.5
156.12589	0.3
157.06544	0.3
159.04465	0.6
163.00314	1.3
164.01050	0.5
165.01793	0.6
165.09113	0.4
167.03448	3.5
169.01389	0.6
169.06552	0.4
171.04509	0.4
171.68793	0.3
174.03232	0.3
183.04433	0.6
185.06049	1.0
187.03970	1.1
190.99924	0.3
197.06096	0.5
199.03996	0.8
200.04573	0.4
209.08179	2.5
211.04048	1.7
213.05501	0.8
217.05008	0.5
227.03514	31.7
228.03879	2.3
229.05083	4.7
233.08147	0.6
239.03496	1.0
240.04289	0.3
241.05063	0.6
243.02983	0.3
255.03033	60.9
256.03534	7.3
257.04568	2.9
267.03098	0.6
283.02536	0.5
284.03329	90.1
285.04041	37.9
286.04514	2.8
315.01465	0.5
327.05203	1.6
371.13504	1.5
447.09653	0.4
593.15259	100.0
594.15588	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	593.1529
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01293	0.3
63.02290	0.7
63.77402	0.2
65.00217	0.8
69.53771	2.0
71.53185	0.3
83.01290	0.3
84.57545	0.2
91.01791	0.4
93.03362	1.4
107.01292	1.8
109.02846	0.5
117.03366	0.3
125.02314	0.4
125.72359	0.2
132.02138	0.5
135.00792	1.7
141.06931	0.3
143.04980	0.8
151.00325	2.0
151.28392	0.3
153.01848	0.6
155.04930	0.3
157.06581	0.6
158.03654	0.4
159.04475	1.1
163.00336	2.7
164.01028	0.5
165.01888	0.7
167.04935	0.3
169.06537	1.0
171.04424	0.4
173.02400	0.3
178.99773	0.3
183.04501	0.6
185.02490	0.3
185.06076	2.2
187.03987	2.8
189.05519	1.0
195.04506	0.7
196.04866	0.3
197.06067	1.0
199.03999	0.7
200.04549	0.4
201.05502	0.4
211.04008	2.5
212.04739	0.5
213.05606	1.5
214.02821	0.3
215.03471	0.4
223.04099	0.3
227.03508	31.8
228.03844	3.1
229.05063	9.8
230.05386	1.1
239.03511	1.8
240.04167	0.7
241.05110	1.5
255.03033	52.9
256.03546	7.5
257.04581	6.0
258.04977	0.5
267.03049	1.0
283.02460	0.5
284.03333	57.3
285.04086	81.6
286.04465	7.1
327.05203	1.0
505.32574	0.3
593.15253	100.0
594.15649	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	591.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09072	0.7
55.01770	1.1
57.03330	1.1
59.01268	17.7
59.05852	0.6
61.98717	7.8
69.03349	1.5
71.01271	25.6
71.52834	1.0
72.01587	0.7
72.99188	1.1
73.02843	10.9
75.00742	1.2
78.95798	1.1
81.03368	0.9
83.01284	4.5
85.02848	10.6
86.65233	0.6
87.00774	1.6
88.98679	1.8
89.02348	11.0
95.01291	1.3
96.95920	1.7
97.02843	1.4
99.00785	9.8
101.02353	25.5
101.03019	1.3
102.02707	1.0
111.00799	0.9
113.02373	8.2
115.03918	2.4
119.03429	0.6
125.02359	4.0
131.03436	1.6
143.03430	2.0
149.04503	3.5
152.07959	0.8
152.99524	1.4
159.02986	1.2
161.04533	6.4
168.79724	0.6
191.05591	1.9
233.06693	2.9
264.27246	0.9
293.08878	2.0
399.23941	11.8
531.28247	100.0
532.28625	19.4
591.31818	0.7
592.16937	0.8
602.74963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61874	0.6
55.01760	2.4
55.44874	0.5
57.03330	1.7
58.00481	0.9
59.01266	19.5
61.98717	14.3
70.60376	1.5
71.01273	30.4
72.01575	0.6
72.99194	2.1
73.02834	12.6
75.00761	1.3
78.41201	0.6
78.95784	0.8
81.03387	0.7
82.95301	1.1
83.01270	3.7
83.02411	1.5
83.30316	0.7
84.02001	0.9
85.02847	13.5
87.00771	2.7
88.98703	0.8
89.02342	11.1
95.01297	2.5
96.95921	2.3
97.02864	1.6
99.00784	7.7
99.04411	0.6
101.02348	23.3
101.03014	1.4
102.02622	0.9
109.02863	0.7
111.00775	1.3
113.02361	13.1
115.03900	1.5
119.03405	2.5
121.02882	1.8
125.02377	2.3
129.01839	0.7
131.03448	2.4
137.02362	0.8
141.09181	0.6
143.03436	1.2
149.04466	3.1
159.02861	3.1
161.04497	14.4
167.03531	0.9
171.10194	6.1
172.10533	0.7
175.55302	0.6
179.05595	0.7
191.05646	1.4
193.04915	0.7
201.11293	6.7
207.13795	1.0
226.05170	0.7
233.06801	1.4
253.09216	1.6
267.16095	0.7
282.92081	0.6
290.31827	0.7
299.01935	0.7
315.05237	0.8
364.86282	0.7
369.19177	0.6
399.23972	7.9
400.24249	1.3
407.20081	0.6
531.28296	100.0
532.28595	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	591.2497
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
57.03334	0.3
59.01261	1.3
61.98717	1.1
63.96116	0.7
69.03320	0.5
69.74789	1.6
71.00889	0.5
71.01273	7.5
71.37441	0.2
73.02834	1.7
78.98490	5.2
79.95629	11.6
80.96412	63.7
81.03339	1.0
83.01284	0.3
85.02849	2.6
87.00777	2.7
94.97988	14.6
95.01279	0.5
96.95918	1.7
97.02862	1.4
99.00787	0.6
101.02357	2.7
106.98003	2.8
111.08043	0.3
113.02343	0.5
120.77562	0.3
122.97502	4.8
122.98328	0.6
125.02367	2.7
127.03949	0.9
134.97525	4.2
136.99088	1.5
148.99098	5.5
152.98567	6.4
164.98586	11.0
167.00168	0.5
179.00128	0.3
182.99683	2.7
188.98637	0.5
206.99713	3.2
211.13574	0.3
225.00757	19.1
225.27083	0.3
226.01009	0.5
243.01910	1.4
291.19806	2.2
299.04401	2.8
379.18616	0.3
591.24933	100.0
592.25293	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	591.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.5
59.01275	3.8
61.00787	0.3
61.98720	3.2
63.96132	0.8
69.03329	0.8
71.01273	9.2
71.53145	0.5
72.99173	0.6
73.02835	1.7
75.00758	0.6
78.95805	0.9
78.98486	6.0
79.95628	12.9
80.96413	67.2
81.03371	0.4
83.01269	0.4
85.02847	2.6
87.00784	2.8
89.02354	1.9
94.97988	16.4
95.01315	0.6
96.95911	1.7
97.02856	1.8
99.00769	0.6
101.02348	3.4
106.98004	3.1
111.08000	0.6
113.02365	1.3
119.03440	0.7
121.02906	1.8
122.97511	5.3
123.45503	0.4
125.02370	3.2
127.03912	1.5
128.75627	0.4
134.97539	4.4
136.99071	1.5
148.99097	5.7
152.98561	6.5
152.99667	0.7
159.04338	0.4
164.98596	11.5
165.98975	0.5
167.00113	0.6
179.05481	0.5
182.99651	2.7
194.04674	0.5
206.99763	2.8
209.11905	0.5
225.00749	18.0
243.01770	1.6
288.97290	0.5
289.18100	0.7
291.19791	2.3
295.31882	0.4
299.04532	2.8
411.21936	1.0
444.17581	0.5
591.24915	100.0
592.25262	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	590.392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.6
57.03329	1.5
58.00480	4.6
59.01266	92.5
60.01598	0.8
61.98717	1.7
70.02863	1.6
70.40337	2.2
71.01273	63.6
72.01620	1.0
72.99205	7.2
73.02833	1.7
78.95766	0.9
81.86750	0.7
83.01296	2.3
83.04939	2.0
85.02853	9.5
85.06490	1.8
87.00806	3.1
88.03946	1.7
89.02342	75.7
94.21844	0.8
95.01289	4.6
95.04922	1.0
96.04472	0.8
96.95896	0.9
97.06511	1.0
101.02353	42.0
102.02691	1.0
108.08096	4.9
113.02361	24.2
115.07586	1.3
119.03424	38.6
125.02380	0.9
126.09181	6.7
131.03455	3.1
138.09186	2.1
139.07474	0.7
143.03430	6.6
149.04538	3.2
156.10283	1.8
161.04503	5.7
166.08728	2.7
176.25436	0.9
179.05579	18.5
184.09793	1.0
223.20695	1.2
225.22231	15.6
226.22473	1.1
249.68806	0.7
253.18489	0.6
253.21736	4.1
255.23346	0.8
270.24442	1.3
271.22858	7.7
272.23169	0.9
296.26004	4.0
312.25574	2.2
324.25571	1.1
362.30591	0.9
380.31784	1.8
392.31772	3.8
394.81140	0.7
410.32861	48.5
411.33258	7.0
428.33905	20.0
429.34180	2.5
590.39258	100.0
591.39612	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	591.2496
Annotation	Tiliacorinine 2'-N-oxide
Peak:m/z	Relative Intensity
50.57397	0.3
54.17575	0.3
59.01248	0.6
63.96124	0.9
69.03349	0.4
69.21019	3.3
71.01266	5.5
73.02831	1.4
78.95802	0.3
78.98483	5.1
79.95622	9.6
80.96409	53.8
81.03349	0.6
85.02843	1.9
87.00790	2.0
94.97378	0.7
94.97986	14.0
95.01332	0.4
96.95904	0.6
97.02852	1.3
99.00774	0.5
101.02355	2.3
103.59747	0.3
106.97987	2.7
113.02370	0.5
122.97488	4.8
125.02366	3.0
127.03933	0.9
134.97514	4.0
136.99037	0.9
148.99080	6.3
152.98575	6.9
164.98578	10.8
165.12794	1.0
167.00093	0.4
182.99646	2.5
188.98651	0.4
195.24965	0.3
206.99660	3.4
225.00748	17.5
226.01065	0.8
243.01833	2.3
247.20714	0.9
261.70184	0.4
273.18695	0.4
291.19641	1.7
299.04477	3.0
317.05609	0.5
388.40332	0.4
466.02731	0.3
531.28448	0.5
591.24945	100.0
592.25281	18.9
592.32849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.7
61.98714	0.8
63.96132	1.5
63.99292	0.3
69.03368	0.5
69.55888	2.3
71.01277	6.8
72.99211	0.5
73.02846	1.7
78.95802	0.5
78.98484	5.4
79.95627	10.9
80.96415	63.4
81.03357	1.0
81.96372	0.5
85.02843	3.5
87.00774	2.9
88.65942	0.4
94.97991	15.9
95.01339	0.4
96.95921	0.8
97.02857	2.0
98.19862	0.6
99.00809	0.4
99.04450	0.3
101.02345	3.7
103.07526	0.3
106.97998	3.5
113.02367	0.7
119.07394	0.3
122.97510	6.1
123.04440	1.2
125.02364	2.9
127.03938	1.1
134.97519	4.6
136.99072	1.0
148.99086	6.4
152.97406	0.6
152.98572	7.8
164.98592	12.0
165.00003	0.6
165.12828	1.1
165.98996	0.6
167.00137	0.4
176.98615	0.3
182.99655	2.9
206.99684	3.0
216.72726	0.3
225.00768	21.6
226.01140	0.7
243.01880	1.9
247.20728	0.6
249.33202	0.3
270.78119	0.3
281.34964	0.3
291.19824	2.4
299.04529	3.5
411.21960	3.0
484.43399	0.3
531.28070	1.1
536.64056	0.3
591.24969	100.0
592.25293	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	590.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30067	0.8
54.60602	0.8
59.01252	0.9
66.52371	0.8
71.01256	1.2
71.52264	1.4
75.72207	0.8
83.01281	1.3
89.02341	1.2
95.01314	2.1
96.95946	5.0
96.96482	1.1
103.13392	0.8
108.02061	1.5
109.43702	0.8
111.00797	3.1
123.00802	1.5
124.01561	3.1
125.99605	0.8
136.65842	0.8
137.02405	1.0
152.01094	9.0
158.03581	0.8
162.01924	4.4
167.03459	100.0
168.03773	4.8
172.05203	1.6
180.88850	0.9
184.03990	4.3
185.06197	0.9
186.03217	2.4
187.07602	1.4
196.04053	1.4
198.05618	4.3
199.06361	12.0
200.04813	1.4
200.06595	1.6
212.03592	1.3
212.07251	1.4
213.04390	1.9
215.07137	17.4
216.07481	0.9
233.25269	0.9
242.08269	30.8
243.08586	3.0
325.39984	0.9
368.06213	0.9
380.08218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58515	0.4
58.65388	0.5
59.00991	0.8
59.01269	10.6
61.98711	1.5
65.67519	0.5
71.01280	4.5
71.52566	0.7
73.02847	1.1
78.95808	0.8
85.02838	1.2
87.00768	0.5
87.83000	0.5
89.02330	4.0
96.95911	0.6
101.02351	4.0
113.02370	1.5
119.03445	0.9
123.02216	0.4
125.02406	0.7
143.03435	0.7
148.08862	0.6
150.10420	0.9
152.99481	0.7
161.04520	1.6
161.25652	0.5
163.11208	0.5
165.12805	11.6
165.14116	0.9
166.13132	0.9
171.10213	2.4
179.05560	0.7
197.11833	1.9
247.20711	6.5
253.09340	17.4
254.09656	0.9
272.22858	0.5
273.18710	4.2
291.19745	100.0
292.20090	9.0
449.81604	0.6
478.46231	0.5
527.28558	1.0
587.28864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	10.7
61.98715	0.9
70.05059	0.7
70.05469	1.5
71.01270	4.6
72.99220	0.4
73.02842	0.8
75.14419	0.3
83.01269	0.4
85.02848	0.8
87.00763	0.5
89.02345	2.8
95.01315	0.4
96.95909	1.2
101.02361	3.4
113.02342	1.7
115.03907	0.3
119.03381	0.7
119.04990	0.3
122.27552	0.4
125.02358	0.6
127.11202	0.4
127.97913	0.3
131.03387	0.6
132.00150	0.3
142.91156	0.3
143.03406	0.5
147.23227	0.3
150.10440	0.6
154.45374	0.4
161.04485	1.4
163.06122	0.4
163.11214	0.6
165.12805	13.2
166.13152	1.2
171.10217	1.2
175.11284	0.4
176.12094	0.3
189.78632	0.3
197.11777	1.2
205.07420	0.4
209.08121	0.4
233.15480	5.7
235.08163	0.4
247.20688	6.8
248.21036	0.6
253.09326	15.0
254.09677	0.8
270.22827	0.3
273.18680	4.1
274.19043	0.6
278.32919	0.3
291.19733	100.0
292.20059	8.9
293.08908	0.9
309.20911	0.9
311.22473	0.5
407.33066	0.3
527.28156	1.2
587.28607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	0.7
61.98721	100.0
62.98432	0.2
71.01273	0.4
71.26546	0.1
71.52666	0.2
78.95805	0.3
85.02844	0.2
87.00787	0.2
89.02343	0.3
93.03378	0.2
95.01302	0.2
96.95948	0.5
101.02365	0.2
104.71875	0.1
108.04459	0.1
109.02913	0.2
110.81329	0.1
113.02348	0.2
116.92783	0.1
121.02875	0.2
125.02366	0.2
135.04442	0.2
137.02434	0.2
139.04015	0.1
146.02466	0.2
150.03194	0.4
151.03966	0.2
165.05531	0.3
175.04091	0.2
179.03476	0.2
207.06822	0.1
306.07880	0.2
337.09335	0.1
526.36279	0.4
539.22815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.7
57.03334	1.4
58.00498	0.8
59.01268	18.5
61.98721	2.2
68.99718	0.7
69.03342	1.3
71.01276	52.9
71.04912	20.1
71.52533	0.6
72.01620	0.5
72.05257	0.4
72.99197	2.3
73.02441	0.6
73.02842	10.2
73.06474	0.4
75.00758	1.6
75.02289	0.9
77.03491	0.3
77.03875	0.7
78.26508	0.3
81.03370	1.1
83.01286	3.9
83.02398	0.4
83.04921	1.1
85.02854	10.9
87.00780	13.1
87.04414	1.8
89.02342	15.3
89.05974	2.9
93.03350	2.1
94.54599	0.3
95.01283	2.0
95.04935	0.9
96.95921	0.9
97.02862	3.2
97.06535	0.6
99.00790	9.1
99.04457	0.9
101.02351	12.0
107.04947	1.5
108.02074	1.6
109.02888	1.0
111.00795	0.8
111.04438	1.2
112.72029	0.3
113.02369	11.2
115.03935	1.3
115.07575	0.5
119.03448	0.5
121.02882	19.8
122.03226	1.2
123.04455	3.5
124.01609	0.5
125.02381	6.3
125.06030	3.0
127.03924	0.4
129.01900	0.7
131.03447	3.2
131.22034	0.4
134.03682	26.5
135.04535	1.6
137.02388	0.7
139.03944	1.2
141.05533	2.6
143.03429	1.8
144.49782	0.3
147.00847	2.8
147.08102	0.9
149.04549	2.7
149.05582	0.4
149.06111	0.3
149.09671	4.4
150.09958	0.3
151.03964	1.3
153.05560	1.6
155.07101	0.6
159.02959	0.6
161.02376	0.9
161.04510	2.7
165.01915	2.2
167.03450	0.5
169.05031	2.9
175.06120	0.4
175.07613	0.6
177.09178	6.0
178.09546	0.5
190.99870	1.0
191.05603	0.6
193.05037	0.5
193.08635	0.9
197.04517	0.4
197.08206	0.5
197.11742	0.4
203.05719	0.4
203.09340	0.5
203.68651	0.3
205.07161	1.9
215.05595	0.5
217.07243	0.3
221.08208	100.0
222.08531	7.4
227.06868	0.3
233.06799	2.1
233.10274	2.1
237.07712	2.6
251.11394	4.6
252.11632	0.4
258.81226	0.4
275.07843	1.0
291.08661	2.1
291.11533	3.0
293.08939	0.6
347.13519	0.9
357.32355	0.3
365.14615	63.3
366.14972	5.6
377.57895	0.4
381.12030	9.6
382.12433	0.7
383.15762	2.1
394.46390	0.4
439.22028	1.2
513.16284	18.6
514.16760	3.1
527.25055	1.6
528.25134	0.4
558.93988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07912	0.1
59.01258	0.4
60.10203	0.1
61.98719	100.0
62.98419	0.2
63.40660	0.1
69.84859	0.3
69.85260	0.1
71.01285	0.4
77.60593	0.1
78.95801	0.4
79.95592	0.1
85.02868	0.1
89.02370	0.1
96.95921	4.9
96.96827	0.7
98.05999	0.1
101.02358	0.1
113.02375	0.1
121.02911	0.1
125.02369	0.1
128.03416	0.1
137.02452	0.1
137.82747	0.1
139.03973	0.1
149.02328	0.1
150.03204	0.1
151.03923	0.1
153.01828	0.1
165.05544	0.2
175.04016	0.2
193.05125	0.2
223.97545	0.1
230.05609	0.1
235.06230	0.1
329.03101	0.5
344.05542	0.2
359.07773	0.6
363.04355	0.1
423.20425	0.1
521.13391	0.3
523.34204	0.1
524.34454	0.4
584.33453	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.1
57.57587	0.1
59.01268	0.3
61.98719	100.0
62.98410	0.2
70.89938	0.2
71.01286	0.3
73.02867	0.1
78.95808	0.2
82.83508	0.1
83.01284	0.1
85.02836	0.1
86.10629	0.1
89.02357	0.1
93.03384	0.4
96.95907	0.2
101.02344	0.2
109.02882	0.1
113.02312	0.1
121.02899	0.4
122.03661	1.0
123.04438	0.3
124.01634	0.1
125.02397	0.4
128.45331	0.1
133.02898	0.1
135.04463	0.2
136.01585	0.2
137.02371	0.2
139.04007	0.1
146.03746	0.1
149.02391	3.1
150.03174	7.4
151.00374	0.1
151.03944	0.2
153.02003	0.1
153.05498	0.1
164.04738	0.8
165.05530	8.4
177.01929	0.2
179.07144	0.2
180.04207	0.4
195.06610	5.5
219.06607	0.1
270.09030	0.1
285.04196	0.2
285.11526	0.2
288.06213	0.1
298.08548	0.1
299.09604	0.1
313.10992	0.1
314.08078	0.1
325.10800	0.1
327.12552	0.3
328.13242	0.7
329.10510	0.5
341.10504	0.7
341.14029	0.1
343.15875	0.1
344.12744	0.7
356.12869	0.2
359.15057	1.9
359.19266	0.1
371.15100	1.9
395.04529	0.2
405.15564	0.2
431.10086	0.1
461.16269	0.2
463.17822	0.2
492.18234	0.1
507.20541	0.7
524.35156	0.4
536.20483	0.1
537.21429	4.5
548.22760	0.3
585.22949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07401	0.1
55.20337	0.2
59.01268	2.1
60.01595	0.3
61.01690	0.4
61.98719	100.0
62.98427	0.2
74.45454	0.1
78.95803	1.4
80.96216	0.3
98.20558	0.4
136.55582	0.2
152.99536	0.9
206.83075	0.2
242.08005	0.3
281.24924	5.6
282.25278	7.5
283.25568	5.3
284.25848	3.1
389.47299	0.2
485.56839	0.2
506.32867	0.9
507.32901	0.8
508.33316	1.5
509.33435	4.5
509.40930	0.3
583.19666	0.3
583.33844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.1
59.01257	0.6
61.98718	100.0
62.98399	0.2
70.94113	0.2
70.94465	0.4
71.01265	0.3
78.34091	0.1
81.84277	0.1
88.98716	0.6
89.02352	0.3
93.03365	0.2
96.95938	0.3
101.02365	0.3
109.02864	0.2
113.02375	0.3
121.02950	0.2
122.21869	0.1
123.04433	0.2
125.02398	0.2
133.00056	0.1
137.02383	0.2
150.03195	0.5
165.01991	0.3
165.05525	0.6
179.03427	0.3
180.04248	0.2
181.04990	0.1
183.63864	0.1
191.40775	0.1
195.06650	0.8
225.07690	0.2
239.34550	0.1
257.01111	0.2
285.77158	0.1
300.02805	0.3
329.03271	0.2
343.04681	1.0
491.08383	0.2
506.11542	0.2
521.13159	1.3
522.13403	0.2
523.35242	0.4
537.21716	0.3
597.35095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2415
Annotation	Briaexcavatolide K
Peak:m/z	Relative Intensity
57.03338	1.3
58.00473	1.8
58.70363	1.2
59.01269	21.6
61.98716	10.9
69.29693	12.1
71.01266	21.9
72.99187	2.6
73.02840	4.4
75.00766	17.2
78.91792	1.9
78.95830	1.8
79.68929	1.3
83.01290	4.1
85.02844	8.3
87.00771	4.7
88.98724	2.9
89.02338	11.7
91.99402	1.2
92.13229	1.2
93.03350	1.5
95.01306	2.4
96.95927	4.8
97.02867	1.4
98.33878	1.2
99.00772	1.6
100.91878	1.2
101.02347	15.3
108.32961	1.2
109.02861	3.3
113.02344	6.7
116.39991	1.1
117.95016	1.5
119.03396	3.0
121.02901	8.8
122.03654	5.3
123.00817	1.6
123.04438	3.1
124.01533	1.2
125.02332	2.4
134.03697	1.6
135.04492	1.6
137.02411	5.8
147.04483	3.5
151.03954	1.7
153.01846	1.9
154.02699	2.7
161.04584	2.1
161.06023	2.6
163.03917	1.9
165.05530	19.6
167.03474	1.9
171.01379	1.3
175.03976	1.2
179.07104	5.9
180.04391	1.5
181.05058	2.5
185.11757	1.7
193.05067	1.3
195.06625	2.3
205.05136	1.5
208.08690	1.3
211.06229	1.2
219.49998	1.4
225.07657	1.4
298.12073	1.4
299.11331	2.5
313.14694	1.6
328.13165	1.6
329.13879	1.5
343.15552	2.6
346.14459	7.9
347.15210	2.4
361.12170	2.8
361.16672	54.1
362.17108	5.6
421.18896	2.0
523.21973	100.0
524.22272	16.4
537.33002	1.5
583.24213	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57553	0.3
55.01783	1.6
57.03348	1.3
58.00486	1.4
59.01268	20.7
61.90984	0.4
61.98713	1.8
70.95953	0.9
71.01274	19.7
72.01633	0.4
72.99210	1.7
73.02832	3.6
83.01284	3.8
85.02847	6.8
86.00032	0.4
87.00800	1.5
88.98734	1.2
89.02345	8.5
95.01292	2.1
96.95897	0.4
97.02877	0.7
98.78422	0.4
99.00803	1.7
101.02355	11.4
108.02081	2.9
109.02869	3.0
111.00806	1.0
113.02363	5.5
116.92781	0.8
119.03413	3.4
119.04911	0.6
121.02854	0.6
123.00841	0.4
123.04497	1.8
124.01557	2.7
125.02374	4.4
127.03946	0.4
129.01842	0.5
133.83076	0.3
135.04500	0.7
137.02380	14.4
138.03175	5.0
139.00348	0.7
139.03947	4.7
143.03474	0.6
145.02917	0.8
150.03198	1.6
151.03946	5.6
152.01102	5.6
152.04732	3.6
153.01877	0.5
153.05490	1.0
155.03464	0.4
161.02423	0.8
161.04552	0.6
161.73798	0.4
162.03180	3.0
163.03932	4.2
164.04716	1.3
164.40108	0.4
165.01901	0.3
165.05534	2.4
166.02673	1.8
166.06317	0.5
167.03453	11.6
168.03819	0.4
170.02185	0.8
171.01270	0.3
175.04016	1.3
176.04813	1.5
177.05527	4.2
178.06267	0.7
179.03470	1.0
179.05679	0.5
179.07169	0.6
180.04268	7.3
181.05034	13.6
182.02193	0.4
182.05397	0.7
183.03001	2.0
184.03801	1.0
189.05637	1.0
190.06340	0.7
191.07146	1.0
193.05063	0.4
194.05827	2.1
195.06613	18.9
196.06837	0.5
197.04549	1.0
205.08813	0.5
206.05898	0.7
207.06616	2.5
209.08165	2.3
221.08211	1.5
223.05962	0.4
224.07031	0.5
236.06860	0.5
269.10336	0.6
309.09665	0.7
327.07367	1.0
341.09485	0.5
343.11957	0.8
345.13513	0.4
357.13525	0.7
358.14288	0.8
361.13132	2.2
373.12747	2.1
373.17099	0.6
374.13098	0.5
375.14551	1.0
376.15030	0.4
388.15347	2.9
389.16049	0.7
390.22028	0.5
391.14032	6.6
391.21936	0.4
392.14523	1.0
401.11020	1.8
403.17786	3.4
405.15851	0.5
406.16425	14.2
407.16910	2.2
421.18808	46.5
422.19153	6.2
509.12939	1.7
550.19727	0.4
568.21899	1.4
583.24139	100.0
584.24481	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	582.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66419	0.2
57.03344	0.2
59.01270	2.1
61.98720	100.0
63.50909	0.2
69.41075	1.2
71.01285	1.1
72.99200	0.2
73.02834	0.2
75.00789	0.3
78.95801	0.8
81.03376	0.3
83.01309	0.4
85.02866	0.6
88.98722	0.3
89.02351	0.7
93.03386	0.5
95.01290	0.4
96.95921	0.5
96.96857	0.2
98.19706	0.3
99.00772	2.8
100.01137	0.6
101.02348	0.8
108.02053	0.7
109.02882	0.7
110.03234	0.2
113.02375	0.3
121.02888	0.5
123.04465	0.3
124.01588	0.3
125.02354	1.5
137.02402	0.5
137.18918	0.2
139.00314	0.3
145.02914	0.2
149.02361	0.4
150.03156	1.4
152.99557	0.5
153.01968	0.2
161.04518	0.2
163.04013	0.2
165.01988	0.2
165.05563	1.3
167.03511	0.6
168.04071	0.2
176.01062	0.4
180.17430	0.2
191.03511	0.4
193.05135	0.3
195.06651	1.0
209.04576	0.2
211.83148	0.2
227.07216	0.3
257.98401	1.4
272.02960	0.2
274.08191	0.2
305.91461	0.2
307.08420	0.3
311.01678	0.2
327.18234	0.3
328.18658	0.6
357.13745	0.4
369.13654	0.4
385.12967	0.5
495.23630	0.2
522.34027	0.4
523.34955	0.8
582.10760	0.3
582.26819	0.7
583.26147	0.3
609.12549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66419	0.2
57.03344	0.2
59.01270	2.1
61.98720	100.0
63.50909	0.2
69.41075	1.2
71.01285	1.1
72.99200	0.2
73.02834	0.2
75.00789	0.3
78.95801	0.8
81.03376	0.3
83.01309	0.4
85.02866	0.6
88.98722	0.3
89.02351	0.7
93.03386	0.5
95.01290	0.4
96.95921	0.5
96.96857	0.2
98.19706	0.3
99.00772	2.8
100.01137	0.6
101.02348	0.8
108.02053	0.7
109.02882	0.7
110.03234	0.2
113.02375	0.3
121.02888	0.5
123.04465	0.3
124.01588	0.3
125.02354	1.5
137.02402	0.5
137.18918	0.2
139.00314	0.3
145.02914	0.2
149.02361	0.4
150.03156	1.4
152.99557	0.5
153.01968	0.2
161.04518	0.2
163.04013	0.2
165.01988	0.2
165.05563	1.3
167.03511	0.6
168.04071	0.2
176.01062	0.4
180.17430	0.2
191.03511	0.4
193.05135	0.3
195.06651	1.0
209.04576	0.2
211.83148	0.2
227.07216	0.3
257.98401	1.4
272.02960	0.2
274.08191	0.2
305.91461	0.2
307.08420	0.3
311.01678	0.2
327.18234	0.3
328.18658	0.6
357.13745	0.4
369.13654	0.4
385.12967	0.5
495.23630	0.2
522.34027	0.4
523.34955	0.8
582.10760	0.3
582.26819	0.7
583.26147	0.3
609.12549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.8
58.00492	1.2
59.01267	40.2
60.99203	1.3
61.98719	100.0
69.27148	6.3
69.27570	4.4
69.90003	0.9
71.01269	27.2
72.99210	2.3
73.02836	6.0
75.00779	1.5
78.95809	2.0
81.03371	1.1
83.01283	4.4
85.02850	9.6
87.00780	2.1
88.98708	11.4
89.02338	17.6
93.03262	0.9
95.01314	2.4
96.95903	2.3
99.00774	2.0
101.02359	17.8
108.02072	1.4
109.02885	1.6
111.00760	1.1
113.02348	9.6
119.03438	5.9
119.04861	1.1
121.02872	1.6
123.00784	1.1
123.04446	4.0
125.02387	2.6
127.11286	1.1
131.03322	0.9
134.03700	1.2
135.04472	1.2
137.02309	1.2
139.00259	1.3
139.03954	1.3
145.02858	1.2
147.04446	1.5
149.02536	1.1
159.02936	1.5
160.01614	1.6
161.04539	3.6
167.03452	8.6
169.04999	2.8
175.04044	1.5
177.01872	2.1
179.05611	3.1
189.01894	1.4
191.03448	2.3
191.05626	1.1
198.05487	1.7
207.06625	1.1
216.03967	1.1
229.01529	1.4
254.04895	1.1
258.01593	1.6
268.05972	1.0
273.04196	1.2
306.07471	1.1
341.10422	1.2
359.28030	9.1
373.26108	1.0
435.09381	3.2
510.02298	1.1
521.26514	5.4
521.33411	79.7
522.33673	13.6
527.55627	1.1
577.73535	1.0
581.25830	6.6
581.35675	2.4
582.10986	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	581.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05200	0.1
59.01267	0.9
60.69896	0.2
61.98720	100.0
62.98417	0.2
69.36581	1.4
73.42785	0.1
78.95802	0.6
98.19813	0.3
145.02895	0.2
152.99535	0.3
240.96269	0.1
241.10832	0.2
279.23364	3.3
280.23724	3.3
281.23999	1.7
282.24326	1.2
325.68124	0.2
397.32907	0.2
398.05084	0.2
504.30945	1.0
505.31686	0.5
506.31824	0.6
507.32101	1.9
581.31982	0.6
609.52747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27969	0.8
55.01771	2.3
57.03343	2.3
57.75389	0.8
58.00489	1.3
59.01268	45.2
61.98714	8.1
63.72975	0.8
71.01274	34.3
71.55307	1.0
71.55657	1.3
72.99187	1.9
73.02841	9.3
81.03357	0.9
83.01283	3.9
85.02317	1.3
85.02846	11.7
86.86375	0.9
87.00777	2.0
89.02340	22.9
95.01302	2.1
99.00768	2.7
101.02355	18.9
113.02363	12.9
119.03423	10.3
125.02385	1.0
131.03465	1.3
137.06055	0.9
143.03456	2.0
154.02629	1.4
159.02899	1.3
161.04483	4.7
169.95775	0.9
177.01840	1.4
179.05577	5.4
179.10664	0.9
187.13446	1.0
198.05450	1.0
201.14972	5.0
226.04955	1.7
273.95547	0.9
327.25476	0.9
329.03149	6.0
344.05560	4.5
357.26669	2.0
359.07794	7.3
359.28119	22.6
360.28461	2.3
362.06848	2.6
521.33466	100.0
522.33868	17.8
581.25281	1.0
582.10522	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	581.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.4
59.01268	1.0
61.98708	0.4
63.96128	1.1
69.03344	0.6
71.01271	7.5
71.06681	1.0
73.02830	1.5
78.98489	5.4
79.95627	9.9
80.96413	67.1
81.03357	0.9
81.96339	0.4
85.02853	3.1
87.00771	2.4
89.42870	0.4
91.77504	0.4
94.97987	16.0
96.95915	1.0
97.02859	1.2
99.00776	0.6
101.02364	2.9
106.97308	0.6
106.97974	3.0
113.02364	0.7
122.97506	3.5
125.02357	3.0
127.03931	1.0
134.97514	4.9
136.99103	1.4
148.99088	6.3
152.98570	6.4
164.98589	12.4
176.46814	0.4
196.17644	0.4
206.99701	3.1
225.00751	16.5
226.01166	0.7
273.80600	0.4
281.24860	2.4
299.04492	3.3
324.71765	0.5
349.49915	0.4
579.75549	0.4
581.30151	100.0
582.30475	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	581.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76801	0.3
59.01263	0.6
63.96128	1.3
69.03352	0.4
70.55804	0.8
71.01272	6.4
72.99199	0.3
73.02828	1.5
78.98494	5.6
79.95626	8.5
80.96413	57.9
81.03339	0.8
85.02848	2.5
87.00768	2.5
91.03900	0.3
94.97990	14.1
96.95923	0.6
97.02863	1.4
98.36412	0.3
99.00770	0.4
99.04418	0.4
101.02351	2.5
106.97991	2.7
113.02346	0.4
114.00349	0.3
117.23211	0.3
119.67619	0.3
122.97494	4.9
123.69003	0.3
125.02379	3.1
127.03925	0.6
134.97520	4.3
136.99071	1.1
148.99094	6.4
152.98581	8.2
153.40569	0.3
158.70972	0.4
164.98592	11.4
167.00157	0.5
171.08467	0.3
182.99663	2.5
189.84361	0.3
206.99710	3.3
225.00763	20.6
226.01082	0.5
243.01872	2.1
274.00958	0.3
281.24911	3.6
282.25125	0.4
299.04514	3.1
518.07886	0.3
551.79816	0.4
581.30157	100.0
582.30493	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	581.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.0
57.03342	3.3
58.00472	2.1
59.00994	2.2
59.01270	28.6
61.98721	1.8
71.01274	41.0
71.21182	3.5
71.21520	1.8
72.99191	5.5
73.02851	10.8
75.00729	2.3
78.86298	1.5
83.01266	4.5
83.25874	1.5
83.43567	1.4
83.44903	2.0
85.02843	16.8
87.00763	2.4
89.02335	17.4
90.60823	1.4
95.01271	4.2
96.95930	8.2
99.00784	8.2
101.02355	27.6
105.10688	1.9
109.02912	1.8
111.00847	2.0
113.02363	13.4
119.03433	4.3
124.33443	1.5
125.02341	3.8
130.87621	1.8
131.03456	1.7
137.02385	2.6
138.03221	2.4
139.03915	3.7
143.03426	2.5
148.03885	1.5
149.04459	1.6
159.02950	2.8
161.04497	8.5
189.05521	4.7
191.05627	11.6
202.06374	1.6
219.06630	2.5
288.90704	1.8
290.12274	1.5
312.06870	2.2
327.08807	1.9
340.09421	1.7
341.10382	3.9
344.09070	1.6
355.12033	3.8
358.10730	4.3
359.11340	3.2
373.12943	6.2
386.14255	1.7
389.12888	2.4
389.21851	2.3
404.14890	4.2
419.17468	14.8
420.17633	2.7
433.20877	2.1
441.08899	2.1
521.26166	100.0
522.26508	14.1
566.20111	1.9
581.22534	70.3
582.22754	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	581.2752
Annotation	Aralionine A
Peak:m/z	Relative Intensity
56.82758	3.5
57.63902	5.4
59.01265	22.1
61.98726	45.7
71.01270	14.5
71.59533	7.4
78.95808	4.8
85.02850	5.0
89.02351	12.8
101.02364	9.7
122.02301	4.2
125.02375	7.3
130.68814	3.8
179.05502	4.8
253.09370	27.0
257.21207	22.4
266.93091	4.4
291.19714	59.5
292.19937	5.3
309.20825	100.0
322.75546	4.2
363.21805	7.1
581.27551	79.9
582.27777	13.0
593.06183	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	581.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.8
56.98959	1.1
57.03336	3.8
58.00474	1.8
59.01268	86.8
61.98720	3.6
69.45870	10.5
71.01276	71.0
72.99207	3.9
73.02840	21.2
75.00782	2.6
78.95800	1.3
83.01275	7.4
85.02847	30.5
87.00768	5.9
89.02338	18.4
93.03429	1.3
95.01299	5.2
96.95911	3.0
97.02837	1.9
99.00771	9.8
101.02345	50.3
102.02638	1.3
108.02088	1.2
108.43991	1.4
111.00777	1.6
113.02357	29.7
116.92769	8.7
119.03429	5.1
125.02303	6.2
129.01891	1.5
131.03426	19.3
137.02441	1.7
138.03229	1.6
143.03439	4.5
147.04539	1.3
149.04514	2.5
151.03918	3.0
153.01901	1.3
155.10715	5.6
159.02951	6.9
161.02484	1.8
161.04507	32.5
165.01877	1.3
183.26884	1.1
191.05602	1.6
192.55147	1.5
205.03407	2.1
220.56880	1.2
226.46393	1.5
227.16531	10.1
233.70633	1.3
293.08878	1.9
389.21906	95.1
390.22284	11.7
419.17203	2.8
433.20978	2.2
462.95001	1.6
510.20114	1.4
521.26251	100.0
522.26410	14.4
581.21680	2.4
590.47845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.3
59.13367	0.3
69.57520	1.7
69.83750	0.2
71.01257	0.6
85.02822	0.5
89.02361	0.3
96.95917	0.4
98.19881	0.5
108.16592	0.3
109.02892	0.3
113.02325	0.3
118.76042	0.2
124.01572	1.3
124.12841	0.3
125.02347	0.4
137.02390	1.3
138.03143	0.7
139.03973	2.0
151.03885	0.2
152.04724	0.3
153.05498	0.5
161.02417	0.3
162.03140	0.3
164.21344	0.2
174.03178	1.0
175.03961	1.3
187.03972	0.3
189.05550	1.0
191.05576	1.8
192.04210	0.4
204.04204	0.3
205.05069	0.6
206.05862	0.7
207.06532	0.7
217.05049	0.2
219.06659	0.6
220.07422	0.6
221.08234	2.1
233.11298	0.2
237.07707	0.3
240.44435	0.2
247.88715	0.2
250.08469	0.9
251.09097	0.3
260.86664	0.3
280.04025	0.3
281.04465	0.6
283.06195	0.3
285.07773	0.5
295.06046	0.4
297.04333	0.3
298.04919	0.8
299.05627	0.4
299.10379	0.5
301.07254	0.9
311.05627	0.7
311.09100	0.3
312.06479	0.9
313.07254	5.3
314.07745	0.9
315.08737	0.7
325.07230	0.3
326.08017	0.8
327.08835	6.0
328.06052	0.6
328.09369	0.8
329.06702	3.2
329.10403	1.5
341.10251	0.9
342.07147	0.4
343.08328	4.5
343.12021	0.7
344.09067	9.3
344.13232	0.5
345.09592	1.0
355.12128	0.3
357.09784	0.3
358.10666	17.5
359.11407	30.4
360.11844	2.6
373.13010	33.4
374.13391	4.0
375.12109	0.4
389.12494	11.4
390.13007	1.5
402.13223	0.4
404.14847	14.7
405.15259	1.5
419.17215	100.0
420.17572	12.4
420.23395	0.4
486.26791	0.2
581.15948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69801	0.5
55.01775	1.6
55.24736	0.5
57.03336	1.2
58.00494	0.7
59.01267	100.0
60.01620	1.0
61.98739	0.9
62.73101	0.5
66.37959	0.5
69.03318	0.5
69.51157	0.5
70.47490	2.1
71.01275	24.5
71.04932	0.5
72.50751	0.5
72.99214	1.1
73.02840	9.4
75.00787	1.2
79.92760	0.6
83.01280	3.2
85.02850	10.9
87.00793	1.7
89.02345	9.8
93.03419	0.9
95.01311	1.5
96.95942	1.2
97.02847	1.3
99.00769	5.3
101.02344	14.6
108.02106	0.5
111.00816	1.1
112.04073	0.6
113.02361	10.3
115.03923	1.0
116.92794	2.4
119.03418	0.8
121.02887	1.5
125.02388	2.2
129.01793	0.6
131.03413	2.5
135.78204	0.6
137.02400	2.4
139.00362	0.9
143.03470	1.2
145.02890	0.8
149.04506	1.2
151.03972	1.1
152.01088	1.2
153.01900	1.7
155.10721	2.1
159.02995	2.0
160.01640	1.3
161.04488	6.9
163.03929	1.2
167.03488	1.9
169.05080	1.0
174.03160	1.1
175.03955	4.5
176.04756	0.6
179.03450	0.7
179.05446	0.5
180.04234	2.1
188.04756	1.0
189.05586	1.7
190.06306	5.2
191.05620	0.7
191.07120	4.3
193.05087	2.5
194.05836	1.8
205.08694	4.7
207.06683	1.5
208.07408	3.3
218.30267	0.5
227.16530	4.3
233.06703	1.4
269.08295	5.9
270.08377	0.8
281.08374	0.8
283.09799	3.2
285.66193	0.7
293.09021	0.9
299.09296	5.0
310.12415	0.7
311.09332	6.7
312.09662	0.7
314.11691	10.1
315.11942	0.9
325.10849	1.3
326.11646	5.7
329.14026	40.5
330.14368	4.7
341.13992	22.4
342.14496	2.6
359.15277	1.0
389.16251	31.3
389.21747	4.0
390.16629	3.3
419.17444	1.2
474.02972	0.6
507.15085	0.8
521.26178	86.3
522.26434	10.2
581.14197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2259
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
50.21040	0.4
55.01766	1.0
57.03330	1.2
58.00482	1.4
59.01268	18.5
61.98711	0.7
69.03372	0.3
70.33163	0.3
71.01273	15.4
71.10351	0.7
71.10693	0.3
72.99187	1.7
73.02834	2.8
75.00785	0.4
78.95844	0.4
79.98632	0.4
83.01279	2.6
85.02850	7.0
85.80296	0.4
87.00762	2.0
89.01807	0.7
89.02341	8.0
95.01296	2.1
96.95945	1.8
96.96873	0.4
98.09055	0.4
99.00789	1.2
101.02354	11.2
109.02858	0.6
111.00835	0.6
113.02352	4.9
119.03410	2.4
121.02870	1.2
123.00837	0.8
124.01608	2.2
125.02364	0.9
137.02330	1.0
138.03139	2.8
139.03946	2.5
143.03410	0.5
151.03915	0.7
152.04733	0.7
153.05510	1.5
160.01549	0.6
161.04553	0.5
165.01891	0.9
173.02441	0.6
174.03178	2.5
175.03996	2.3
179.03357	0.4
180.04228	0.9
180.62737	0.4
187.03981	2.0
188.04738	1.8
189.05525	4.0
189.71219	0.5
191.05609	1.7
191.07164	0.5
193.04987	0.4
195.06613	1.1
199.03888	0.7
202.06343	1.5
203.07088	1.4
204.04276	0.9
205.05037	1.0
207.06622	0.8
217.05083	0.8
219.06589	2.1
220.07365	0.9
221.08182	1.3
232.07368	0.7
233.08369	0.6
235.09654	0.5
266.80270	0.4
267.06650	0.5
271.02515	1.4
272.03217	0.6
273.04123	0.6
287.02014	0.5
293.04590	0.4
301.07001	0.4
305.35504	0.4
311.05698	0.9
312.06351	0.8
313.07169	1.3
316.02377	2.7
317.02838	0.5
323.05359	0.5
325.07266	1.3
326.07968	1.4
327.08810	2.2
329.06686	0.7
329.10297	0.6
337.09369	1.0
340.09595	1.8
341.10385	4.9
342.10486	0.6
343.08112	0.5
343.11984	0.7
344.09006	1.5
353.10419	1.0
355.12042	5.4
356.12668	0.6
358.10587	3.5
359.11441	7.9
359.15472	0.7
360.12042	0.5
371.11349	1.9
372.12009	0.7
373.13010	11.2
374.13379	1.5
386.13831	2.2
387.14468	0.6
389.12552	5.4
390.12927	1.0
401.16049	1.3
403.13873	0.4
404.14941	7.4
405.15417	1.3
419.17224	24.6
420.17587	3.4
521.16614	1.3
535.18219	0.8
566.20135	2.7
581.22528	100.0
582.22925	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	581.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.6
57.03341	1.9
58.00481	4.0
59.01266	72.1
61.98717	22.8
68.99726	1.7
69.03337	7.6
69.49455	1.6
70.55062	5.2
71.01274	77.5
72.63308	1.5
72.99190	4.8
73.02841	11.1
75.00763	5.6
81.03357	5.5
83.01279	6.1
85.02865	9.5
87.00754	4.7
89.02341	100.0
93.03363	72.0
94.03677	2.7
95.01302	5.4
96.95916	7.1
97.02853	12.9
99.00796	19.0
99.04443	2.3
101.02346	21.1
106.22684	1.9
107.04886	2.8
109.02904	2.3
113.02374	11.4
115.03912	8.2
119.03409	4.5
121.02876	41.3
123.04436	2.0
125.02379	49.4
126.02720	2.6
127.10575	1.7
131.03445	13.1
137.02383	80.1
138.02710	3.8
143.03455	4.4
149.04498	18.6
149.99437	2.0
151.03935	3.5
159.65938	1.7
160.06848	1.7
161.04510	4.0
164.04764	3.7
179.03502	2.7
179.05510	1.9
179.07086	4.3
191.05591	18.4
197.05986	8.3
199.07674	3.9
209.05925	1.9
227.07173	48.9
228.07446	3.0
233.06693	41.5
259.40894	1.8
275.07935	1.7
281.06726	3.8
293.08868	98.4
294.09229	5.3
359.15070	1.8
413.10968	59.2
414.11215	4.5
521.26221	3.1
521.33496	18.6
522.33466	1.7
581.30920	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	580.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	14.9
61.98715	0.3
69.34370	1.3
76.50536	0.1
78.95798	5.5
78.96272	0.3
80.96418	0.4
83.03374	0.1
87.85777	0.1
96.95905	0.3
101.07272	0.1
143.50287	0.1
152.99542	1.2
168.04280	1.4
174.08191	0.2
186.44351	0.1
224.06914	0.8
225.00636	0.2
242.08025	2.3
281.24921	100.0
282.25269	9.6
333.42108	0.2
356.49802	0.2
506.32635	35.9
507.32953	5.2
542.33258	0.2
580.28821	0.5
581.18927	0.2
581.27991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	21.1
61.98708	1.1
69.81757	2.0
71.01267	0.7
78.95798	20.7
78.98494	0.3
79.95628	1.1
80.96410	5.0
92.55145	0.4
93.93607	0.3
94.97990	1.3
96.95917	13.0
96.96861	0.5
98.20495	0.7
122.97464	0.3
125.02311	0.3
145.02898	0.7
148.99101	0.5
152.98647	0.5
152.99586	3.7
161.02386	0.3
164.98560	0.9
168.04240	2.8
179.89200	0.7
180.90047	0.3
196.89450	0.8
207.38303	0.4
216.01595	0.4
224.06949	7.4
225.00749	1.5
242.08044	2.2
255.23343	1.3
281.24921	100.0
282.25281	9.6
299.04501	0.3
336.44354	0.4
387.01852	0.3
398.38474	0.3
401.77454	0.3
455.71402	0.3
461.26617	0.4
483.27216	1.0
491.43576	0.4
506.32629	75.2
507.32980	10.4
557.76685	0.3
580.29840	0.4
581.18707	1.5
581.30060	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	579.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.3
59.01260	1.0
63.96123	0.9
69.03335	0.2
70.40994	1.0
71.01274	6.3
72.99173	0.3
73.02837	1.6
78.95805	0.3
78.98483	5.3
79.95627	8.8
80.96411	64.0
81.03349	0.8
83.01302	0.5
85.02851	2.3
87.00768	2.7
94.97989	15.5
95.01288	0.3
96.95908	4.4
97.02856	1.6
98.19939	0.3
99.00806	0.5
101.02342	2.8
101.42471	0.2
105.97974	0.2
106.98009	2.4
113.02345	0.6
122.96676	0.4
122.97506	5.1
125.02385	2.7
127.03934	0.8
129.04034	0.2
131.87949	0.3
132.43762	0.3
134.97514	4.3
136.99088	1.7
139.73022	0.2
146.97556	0.5
148.99083	5.6
152.98579	6.9
163.93083	0.2
164.98592	10.2
167.00116	0.4
182.99667	2.7
188.98508	0.3
206.99704	3.2
225.00761	17.0
226.01144	0.5
228.40190	0.3
243.01862	2.2
276.52438	0.2
279.23373	2.7
280.23553	0.3
299.04428	3.1
391.08658	0.3
392.77420	0.3
499.80133	0.3
579.28589	100.0
580.28961	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	579.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.8
57.03328	4.9
58.00481	2.1
59.01266	64.6
60.50389	1.2
61.98713	2.3
69.03338	2.8
69.51099	2.2
69.51508	6.8
71.01272	65.9
72.32621	1.0
72.99197	3.2
73.02837	26.2
75.00772	2.7
83.01284	14.5
85.02847	33.3
87.00766	4.9
89.02338	18.7
95.01284	4.8
96.95895	3.9
97.02865	3.1
99.00775	9.6
101.02347	60.1
102.02715	1.7
103.03916	3.8
109.02924	1.1
111.00761	1.7
113.01618	1.9
113.02361	26.7
115.03893	1.3
119.03405	4.8
123.04440	1.0
125.02374	6.5
129.01831	1.5
131.03392	1.4
137.02382	1.3
143.03432	3.4
145.02774	1.4
145.04948	1.5
145.28267	1.2
146.02388	1.1
150.03151	2.5
151.04016	1.5
159.02957	5.4
161.04507	21.6
162.04781	1.1
163.03908	1.3
163.06085	6.4
165.05467	1.6
185.51823	1.2
191.05476	1.6
193.04958	2.0
195.06564	2.4
205.05130	1.5
205.07153	1.7
211.06120	3.3
211.16963	1.4
218.80305	1.1
227.03502	2.0
227.07130	9.6
247.08199	1.5
255.03062	2.7
284.03369	1.9
285.04181	3.3
307.10522	1.8
343.21289	3.3
367.10580	1.3
373.22388	34.5
374.22888	4.2
387.20203	6.7
388.20819	1.2
519.27826	100.0
520.28101	15.9
579.17035	8.6
580.17194	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30454	0.3
55.01788	0.4
57.03313	0.4
59.01266	4.5
61.98723	4.0
65.00220	0.4
71.01273	4.0
71.62566	0.5
72.99201	0.5
73.02843	1.3
75.00784	1.6
83.01306	0.6
85.02840	2.3
87.00780	0.6
88.98624	0.3
89.02345	0.3
91.01814	1.1
93.03378	1.8
99.00782	0.7
101.02348	2.4
107.04935	0.6
109.02856	0.5
113.02353	1.1
113.47335	0.3
117.03421	0.5
119.01316	3.3
119.04982	0.3
120.63972	0.3
121.02866	2.9
122.64415	0.3
123.04411	0.5
125.02372	0.5
134.03670	1.3
135.04448	2.0
137.02399	0.6
139.00261	0.4
142.25957	0.3
145.02867	0.6
147.00810	5.3
149.02385	8.5
150.03157	0.5
151.03987	0.6
152.01071	1.6
161.04465	0.4
162.03166	0.4
163.03995	2.2
164.04742	7.1
165.01859	1.5
165.05334	0.6
167.03421	0.8
169.05011	1.0
175.00337	24.4
176.00717	1.5
177.01897	0.7
177.05482	0.4
179.07114	1.4
189.01967	0.7
190.02693	65.3
191.03072	4.2
192.04292	0.4
194.02217	0.4
205.05054	70.3
206.05396	4.1
207.02989	1.2
207.06602	0.4
208.03740	1.4
209.04530	2.5
223.06128	6.5
235.06158	0.4
251.05695	1.5
265.35333	0.3
281.06564	0.3
289.15048	0.3
300.02850	0.4
304.82971	0.3
357.26517	0.8
389.56583	0.3
489.30713	1.1
519.31677	1.1
549.23645	2.2
564.25708	1.2
565.25836	0.4
579.28241	100.0
580.28571	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	579.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
59.37165	0.3
61.98711	0.6
63.87646	0.3
63.96126	1.3
69.03333	0.8
70.86216	0.3
70.86579	0.9
71.01273	7.5
73.02832	2.1
75.43127	0.3
78.95799	1.5
78.98491	5.7
79.95631	11.3
80.96414	69.4
81.03348	0.9
83.01267	0.6
85.02847	3.3
87.00785	3.1
94.97993	17.2
95.01251	0.4
96.95918	12.8
97.02855	1.6
99.00770	0.7
100.31476	0.3
101.02367	2.6
106.97988	3.4
113.02378	0.6
122.97495	5.5
125.02361	3.6
127.03921	1.0
134.97510	4.7
136.99094	1.4
147.86133	0.3
148.99089	6.2
152.98576	7.9
164.98587	12.1
167.00105	0.5
182.99669	2.6
188.98549	0.4
194.93779	0.5
206.99677	3.3
220.80551	0.3
225.00778	18.8
226.01042	0.9
243.01923	1.9
245.04337	0.5
279.23398	3.3
280.23853	0.5
280.39313	0.3
299.04529	2.7
314.69299	0.3
343.01190	0.4
481.25775	0.7
498.47461	0.4
524.02527	0.3
560.39703	0.4
579.28595	100.0
580.28949	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	579.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	10.1
61.98722	100.0
71.59243	12.2
76.46797	7.3
78.95812	12.7
80.96371	6.6
95.01294	10.6
96.95910	31.0
111.00771	10.9
123.00792	49.1
124.01621	38.9
125.02390	90.0
145.02916	8.2
253.09387	8.6
287.07623	10.6
307.19180	13.5
417.22937	30.5
418.23175	8.1
574.26825	9.3
579.27704	69.2
580.28119	9.4
595.41089	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	579.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03730	1.3
50.11295	1.2
55.01769	5.3
57.03334	4.1
58.00479	3.2
59.01268	73.7
60.01601	1.3
61.98708	1.4
67.23855	1.4
69.03333	1.8
70.44534	5.2
71.01274	76.0
72.99204	5.5
73.02837	37.6
75.00778	2.4
80.36686	1.2
83.01275	19.5
85.02850	37.0
85.46869	1.5
87.00771	5.5
89.02335	19.7
95.01292	4.1
97.02853	5.0
99.00781	13.7
101.02351	74.6
103.03900	5.2
108.60998	1.3
113.02361	31.6
115.03864	2.0
119.03397	4.0
121.12671	1.3
123.04465	1.5
125.02343	9.1
129.01826	2.3
131.03400	3.8
135.52321	1.3
143.03433	5.6
147.85741	1.3
149.04370	2.3
159.02957	7.1
161.02412	1.7
161.04514	27.4
163.06070	5.3
165.05505	2.3
179.05551	1.7
193.05009	1.6
207.42326	1.5
211.06006	1.5
211.17122	2.8
227.03429	1.8
227.07106	5.2
255.02853	1.5
257.00912	2.4
277.37918	1.7
279.49588	1.3
280.56808	1.4
284.03305	2.3
285.04086	3.6
373.22406	36.4
374.22824	3.3
387.20453	9.3
519.27856	100.0
520.28235	12.4
579.14624	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	579.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89082	0.6
59.01072	1.4
59.01390	2.2
60.00938	0.6
61.98498	1.4
61.98845	4.0
65.00323	1.1
68.49478	0.6
70.86525	1.9
71.01421	2.7
72.99291	0.8
83.01402	0.9
85.02988	1.3
89.02504	1.7
95.01387	1.0
96.96100	3.0
101.02470	1.3
107.01521	2.5
108.02218	1.3
109.03052	1.9
113.02500	1.1
119.05144	4.8
121.03083	1.9
123.01010	2.2
123.04627	1.0
124.01774	0.9
125.01722	0.7
125.02564	2.3
128.03650	1.1
135.04619	0.7
137.02585	9.8
139.00432	0.7
147.04652	0.7
148.01913	0.7
149.02538	1.2
150.03275	0.9
150.99185	1.8
151.00533	25.8
151.04092	1.4
152.01100	1.1
152.04941	2.4
153.01993	1.6
154.02824	0.7
156.53314	0.7
161.04770	0.7
163.04167	1.4
164.04900	0.9
165.01920	1.3
166.01367	2.8
166.02678	55.6
166.45615	0.7
167.03375	4.5
175.04185	1.9
177.01897	4.4
177.05894	0.8
179.00038	2.0
179.03731	1.3
181.03510	2.9
181.05037	70.3
182.05336	3.6
184.03812	0.9
190.02898	1.2
191.03725	1.1
192.04378	1.1
193.05276	1.8
195.02983	1.0
199.04190	1.2
203.03658	0.7
205.05302	1.8
207.06767	1.3
209.04791	0.8
209.12053	1.2
211.06372	1.0
215.03954	0.7
221.04703	0.7
226.02916	1.0
227.03702	1.9
236.60526	0.8
243.02992	8.1
244.03511	0.7
253.09460	1.5
254.02319	1.4
255.02980	10.8
256.03638	1.4
257.04782	1.0
271.02570	29.7
271.06232	3.4
272.03152	2.5
285.04266	1.3
299.02051	10.5
300.02802	47.3
301.03360	6.6
306.07816	1.6
314.04434	9.7
314.07333	0.8
315.05191	4.0
315.48462	0.7
341.10339	0.7
343.21228	1.5
357.09818	1.6
359.11359	1.7
373.13272	1.3
385.12985	0.8
387.10953	15.1
388.11130	1.4
397.13477	0.7
402.13217	7.5
403.13751	1.5
406.22586	0.7
417.15649	100.0
418.15933	12.8
459.11676	0.8
519.23401	0.9
579.13483	46.4
580.13770	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	579.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03614	0.1
57.61173	0.2
59.01263	0.4
63.02286	0.2
65.00226	0.6
67.78150	0.2
68.10211	0.2
69.34861	0.2
69.35171	1.6
71.01275	0.3
78.35143	0.2
83.01281	0.5
87.04385	0.2
89.02354	0.3
91.01806	0.2
96.95911	0.2
107.01286	1.4
108.02065	1.5
119.79939	0.2
121.02895	0.5
122.71673	0.2
124.01588	0.2
125.02352	0.2
135.00810	0.4
136.96051	0.2
148.01593	1.3
151.00314	4.6
152.00981	0.2
163.00337	0.8
164.01068	0.6
169.01418	0.3
176.89664	0.2
178.99841	3.3
180.00143	0.3
183.04515	0.3
187.03873	0.2
192.00650	0.4
199.03922	1.0
201.01888	0.2
203.03568	0.2
211.03967	0.5
215.01636	0.2
215.03506	0.8
216.04248	0.5
226.02742	1.4
227.03519	2.6
228.03973	0.2
242.02357	0.2
243.03024	10.3
244.03491	1.2
247.12509	0.2
254.02278	2.3
255.03038	25.6
256.03363	2.3
271.02542	58.4
272.02994	6.1
283.02448	0.3
299.02084	2.6
300.02820	100.0
301.03278	11.5
302.03998	0.3
314.04425	0.7
315.05191	0.4
355.04117	0.2
417.15744	0.2
429.08057	0.2
579.13702	64.9
580.14056	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	578.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32952	0.1
56.50175	0.1
59.01268	16.9
60.01608	0.2
63.96133	0.1
69.89684	0.1
69.92433	0.4
69.92844	0.2
71.01272	0.2
78.95798	6.0
78.98493	0.2
79.95640	0.4
80.96413	2.3
81.96378	0.1
82.96013	0.2
85.02904	0.1
85.11387	0.1
90.83099	0.1
94.97979	0.6
96.96864	0.2
101.02364	0.1
107.98442	0.1
122.97547	0.1
125.02414	0.2
134.97527	0.2
148.99068	0.2
152.98491	0.2
152.99562	1.3
164.98622	0.4
168.04254	1.4
206.99649	0.2
224.06947	1.3
225.00780	0.6
226.01079	0.2
242.08044	2.8
243.08145	0.1
261.22299	0.4
279.23355	100.0
280.23694	10.9
297.95407	0.1
329.61426	0.1
334.81586	0.1
374.75723	0.1
504.31097	36.5
505.31412	6.0
505.39041	0.2
519.27301	0.1
578.27368	3.4
579.27405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	22.6
59.18968	0.4
61.98712	1.1
63.89685	0.3
67.97993	0.3
71.01252	0.6
71.62800	0.5
78.95798	20.1
78.98472	0.6
79.95630	0.8
80.96411	5.2
91.79756	0.3
94.97980	1.2
96.95925	0.4
122.97536	0.6
127.59039	0.3
148.99023	0.4
152.98470	0.6
152.99559	2.9
164.98650	0.9
165.71576	0.4
168.04247	3.5
224.06941	9.0
225.00745	1.5
242.07976	2.2
261.22281	0.4
279.23358	100.0
280.23724	10.6
288.33908	0.5
300.02805	0.3
307.19080	0.4
341.33270	0.4
504.31097	71.4
505.31448	10.3
505.38931	0.5
578.27637	1.4
579.19250	0.6
579.28485	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	579.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44282	0.7
59.01248	2.2
59.06011	0.6
65.00227	2.9
68.99686	0.7
69.27168	1.1
69.27571	6.0
71.01273	1.5
83.01280	1.0
89.62064	0.6
92.10424	0.6
93.03356	2.1
95.01280	0.9
96.95924	1.3
107.01303	1.8
108.02087	1.5
109.02847	0.7
110.00023	5.3
110.55500	0.5
111.00831	1.8
116.92747	1.0
123.00774	2.6
124.01601	1.2
125.02361	1.3
132.02116	0.7
133.02869	0.8
135.00793	0.7
136.98712	1.7
137.99509	2.7
139.00307	3.9
143.04811	0.6
147.06946	0.8
148.01602	1.1
151.00296	6.7
151.24646	0.6
152.01160	2.9
153.01819	1.1
163.00328	1.5
165.99043	7.1
166.99779	2.7
171.04424	1.4
171.81850	0.7
177.01793	0.6
178.99776	3.5
183.04454	2.8
187.03970	2.4
192.00716	0.7
193.98521	1.1
194.99252	0.9
198.03214	2.5
199.03951	3.3
200.04599	1.1
201.05508	0.7
210.03197	0.7
211.03979	2.6
215.03500	3.3
216.04314	1.0
217.05014	0.9
226.02721	2.4
227.03499	10.3
228.04105	1.9
229.05029	1.3
239.03587	0.8
243.02997	16.3
244.03633	3.5
249.23529	0.6
250.12155	0.5
254.02272	4.0
255.03020	36.7
256.03525	4.8
257.04407	2.3
271.02542	41.4
272.03241	16.1
273.03738	2.0
282.01715	2.8
283.02524	14.6
284.03168	2.9
285.03967	2.3
299.01910	2.2
300.02814	72.6
301.03439	13.5
302.03757	0.8
417.15555	1.1
561.12805	2.1
579.13666	100.0
580.13953	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	578.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88746	0.1
59.01264	0.2
61.98720	100.0
68.56718	0.1
71.01274	0.4
71.59427	0.3
78.95821	0.3
96.95900	0.2
101.02380	0.2
106.95055	0.1
109.24262	0.1
125.02419	0.2
137.08609	0.1
148.34154	0.1
152.99519	0.2
184.50616	0.1
188.11174	0.1
406.25095	0.1
517.28882	0.1
518.29742	0.6
582.90808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79725	0.6
54.92234	0.6
59.01270	14.4
69.44785	6.4
71.01272	2.2
73.02860	0.9
89.02337	2.7
93.40722	0.7
98.19804	1.5
101.02351	2.9
113.02318	1.8
119.03396	1.5
135.04437	0.7
161.04439	1.3
185.91545	0.8
206.99327	0.8
235.08261	1.4
253.09389	13.9
281.24939	100.0
282.25281	10.0
399.52151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.7
58.00486	0.8
59.01268	36.5
61.98724	11.8
63.46159	0.8
67.24636	0.7
69.03347	2.9
69.21260	0.6
69.25060	5.8
69.25472	1.3
71.01272	15.5
71.04912	1.7
72.99217	2.1
73.02843	4.5
75.83162	0.7
76.64308	0.7
78.95792	1.1
81.17658	0.6
82.81482	0.6
83.00582	0.6
83.01298	1.9
83.04913	1.4
84.02102	1.2
84.95023	1.9
85.02850	4.3
87.00784	1.5
88.98709	0.8
89.02341	9.3
95.01288	1.3
95.04952	0.7
96.95911	1.8
97.02863	1.0
97.06487	8.6
99.00780	1.2
99.08077	2.8
100.08331	0.7
101.02349	12.4
111.00803	0.7
111.08056	0.7
113.02374	6.2
119.03423	2.9
119.04935	0.8
123.08038	0.6
125.02350	1.9
125.09663	2.0
137.09633	2.1
145.08652	17.8
155.10741	2.0
161.04526	5.4
161.85831	0.7
165.12888	0.8
167.03462	1.0
168.04227	1.2
169.12225	0.8
171.10239	7.0
175.11324	0.8
179.05647	1.2
183.06561	0.9
191.10722	0.8
193.12338	12.9
201.11278	1.6
209.11896	1.6
211.13423	2.5
221.11819	1.2
225.14986	20.6
226.15285	1.9
243.04889	1.5
243.16101	9.4
253.09341	28.8
253.14658	1.4
253.99156	0.9
254.09814	1.3
305.17624	1.1
309.24393	1.6
316.02356	1.8
331.04617	1.3
341.23413	100.0
342.23767	11.3
355.24969	4.9
357.26544	1.0
373.26129	2.2
489.30630	1.5
517.30365	61.3
518.30731	8.5
577.15942	1.8
577.32990	1.9
603.29254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.4
58.00495	0.6
59.01265	26.7
60.01595	0.8
61.98719	8.7
66.05822	0.5
66.70085	0.5
69.03338	1.7
71.01276	11.6
71.04892	0.9
71.51254	0.5
71.62713	0.9
72.99196	1.1
73.02847	3.2
75.00701	0.6
78.95801	1.2
82.95292	0.8
83.01265	2.0
83.04920	1.0
84.94997	1.8
85.02847	4.9
87.00774	1.5
89.02326	7.1
95.01287	0.9
96.95891	1.8
97.02876	0.7
97.06493	9.2
99.00776	1.2
99.04450	0.9
99.08063	2.4
101.02346	9.3
109.02891	0.7
111.00795	0.6
113.02369	6.2
119.03442	2.0
119.04896	1.0
123.04391	0.8
125.02385	0.7
125.09641	1.6
127.11249	0.8
137.02371	0.8
137.09669	1.8
138.03136	0.7
139.01399	0.6
143.03447	0.8
144.14792	0.7
145.08655	14.2
146.09079	0.7
155.10724	0.8
155.14378	0.9
161.04529	4.0
165.12874	0.6
167.03462	1.6
168.04291	1.1
169.12285	0.8
171.10225	7.8
171.13777	0.8
175.11252	1.1
179.05556	1.3
193.12314	10.6
197.15433	1.4
201.11334	1.4
208.30585	0.6
209.11838	0.8
211.13396	2.4
221.11903	0.9
225.12773	1.0
225.14973	19.0
226.15289	1.2
235.09644	1.0
243.16060	7.9
253.09340	29.5
253.14525	1.0
253.98991	0.8
254.09703	1.2
271.02295	0.8
279.23312	1.1
291.19815	0.7
291.23682	0.6
309.24564	1.2
311.26035	0.9
315.01508	1.0
316.02289	1.6
341.23404	100.0
342.23770	9.7
355.24951	7.8
356.25174	1.2
373.26105	1.2
489.30692	1.2
517.30365	38.6
518.30493	6.0
577.15692	2.1
577.32324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2671
Annotation	6-Desacetylscilliroside
Peak:m/z	Relative Intensity
59.01266	6.9
59.86932	0.5
61.98717	10.3
67.71482	0.5
69.03347	0.6
71.01273	2.8
71.18800	0.5
71.62882	0.9
72.18122	0.4
72.99195	1.0
78.95808	0.6
83.01231	0.5
85.02834	1.3
87.00785	0.6
89.02335	1.6
95.01285	10.3
96.95920	0.5
97.02855	1.2
100.17913	0.6
101.02356	1.9
108.02085	2.1
109.02875	8.1
113.02364	1.1
123.00806	78.4
124.01592	100.0
125.02443	13.0
126.02662	0.6
137.02391	0.7
137.86314	0.5
138.87595	0.5
149.02348	3.2
159.04465	1.0
161.02426	0.7
164.01134	2.9
165.12813	0.9
172.05228	0.7
174.03204	0.6
175.04021	0.7
177.01909	8.1
181.08655	2.0
187.04041	1.2
199.07703	0.7
201.05545	0.8
202.02640	0.8
203.03477	3.4
204.04195	0.9
213.05583	1.7
214.06300	0.7
227.07063	2.5
239.07204	0.6
245.19130	0.6
255.56638	0.6
256.11154	2.3
257.11429	0.5
273.19009	0.6
275.12988	0.6
283.13425	1.1
285.11398	1.2
289.18213	0.7
291.19681	1.7
301.14536	1.6
327.12476	0.8
328.13229	1.3
345.13531	6.5
346.14066	1.6
379.19131	3.3
397.20306	20.6
398.20557	2.7
414.20670	4.4
415.21344	76.6
416.21722	12.1
416.26907	0.3
439.21088	1.3
457.22159	3.6
517.33917	1.8
577.26666	52.7
578.27002	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	577.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52348	0.3
58.56035	0.2
59.01266	0.7
62.64458	0.3
63.35593	0.3
63.96124	1.1
69.03352	0.5
70.55393	0.9
71.01272	6.2
72.90688	0.3
73.02853	1.7
78.98485	4.9
79.95628	9.0
80.96410	67.0
81.03351	0.7
83.01259	0.4
85.02854	3.3
87.00783	2.3
94.97987	16.3
95.01274	0.3
96.95914	0.8
97.02865	1.3
99.00765	0.5
99.04430	0.3
101.02340	3.2
106.97984	3.3
113.02396	0.5
122.23535	0.3
122.97500	5.6
125.02371	2.9
127.03921	0.6
134.97510	4.5
136.99045	1.2
138.51309	0.2
148.99081	5.8
152.98587	6.9
164.98584	10.9
167.00110	0.4
182.99658	2.4
188.98547	0.4
206.99716	2.7
225.00752	16.0
226.01079	0.5
243.01842	1.4
254.93262	0.3
271.44629	0.3
277.21796	2.3
299.04520	2.1
301.78445	0.3
381.98135	0.3
577.27008	100.0
578.27325	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	577.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75076	0.4
52.87191	0.4
59.01270	1.3
61.98719	26.2
63.96122	1.1
69.03363	0.5
71.01276	7.4
71.24544	0.7
73.02842	1.6
78.95789	0.5
78.98484	6.4
79.95628	11.2
80.96414	72.1
81.03358	1.0
85.02853	2.5
87.00775	3.1
94.97992	16.4
96.95930	1.2
97.02859	1.7
99.00799	0.5
100.50381	0.4
101.02354	2.3
106.98011	3.5
113.02353	0.7
122.97506	4.1
125.02381	2.5
127.03905	0.9
134.97516	4.9
136.68736	0.4
136.99071	1.7
137.00011	0.3
140.26599	0.3
148.99081	6.2
152.98564	5.6
164.98598	10.9
167.00104	0.5
182.99678	0.5
206.99689	2.6
216.08076	0.4
225.00764	16.0
226.01013	0.5
243.01958	0.4
277.21863	1.8
278.22015	0.4
279.23370	4.3
299.04568	2.9
316.34607	0.4
379.28793	0.8
380.28961	0.5
483.31332	0.4
504.31583	0.9
566.42560	0.4
577.27032	100.0
578.27356	16.6
578.36566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55202	0.1
59.01268	0.6
61.98719	100.0
62.98419	0.2
71.01301	0.2
71.62870	0.2
80.96416	0.2
101.02370	0.2
102.02690	0.1
109.01039	0.1
113.02409	0.1
129.79829	0.1
151.06010	0.1
164.98697	0.1
165.11508	0.1
207.03510	0.1
208.26414	0.1
253.09407	0.2
254.09811	0.2
255.09756	0.2
256.10254	0.2
277.21814	1.2
278.22125	2.4
279.22400	1.4
280.22711	0.6
456.88104	0.1
577.27490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18208	0.2
59.01267	19.9
66.41235	0.2
67.64569	0.1
70.17046	0.5
70.17463	0.3
71.01284	0.2
78.39188	0.2
78.95797	7.4
79.59718	0.2
83.04900	0.2
115.25276	0.2
127.07555	0.2
152.99515	1.6
168.04282	1.7
168.51234	0.2
190.93637	0.2
205.19609	0.2
224.06918	1.2
233.22752	0.3
242.08037	3.2
251.46228	0.2
259.20691	0.4
275.20221	0.4
277.21786	100.0
278.22125	8.8
419.15097	0.2
426.86621	0.2
455.91177	0.2
472.81091	0.2
502.29541	38.4
503.29883	5.3
544.32361	0.2
553.58954	0.2
578.69720	0.2
594.03491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09281	0.3
61.98722	6.2
62.52392	0.3
69.58246	1.3
69.58674	1.2
71.01258	0.9
77.26405	0.3
78.95802	6.8
78.98485	0.4
79.95625	0.9
80.96415	4.6
94.97989	1.1
96.95912	0.4
98.20524	0.7
106.97992	0.4
121.02880	4.3
122.03214	1.1
127.81078	0.3
134.88213	0.3
135.14490	0.4
139.14999	0.4
140.01106	2.7
148.99052	0.6
152.99521	1.1
164.98608	0.4
181.12354	0.3
191.03534	2.8
192.03841	1.7
196.03783	1.2
209.11835	0.3
214.04849	3.8
225.00760	1.1
261.18671	0.4
329.24973	0.6
341.50204	0.4
347.25970	8.4
348.26343	1.1
349.27795	0.4
353.42850	0.4
372.66226	0.4
379.28625	100.0
380.28973	13.5
380.33978	0.4
503.10449	0.3
576.33215	13.8
577.26306	7.4
577.33942	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.1
57.03315	1.8
58.00481	1.0
59.01274	17.4
61.98722	13.0
66.92099	0.8
68.28300	0.9
69.03351	1.1
71.01277	35.3
71.52693	1.4
72.99204	1.5
73.02844	15.0
78.95814	1.3
80.70058	0.9
83.01287	3.5
85.02856	12.3
87.00764	2.3
89.02350	12.2
92.37775	1.0
95.01287	1.4
96.95927	2.9
97.02870	1.2
99.00798	5.3
101.02360	23.3
102.02733	1.0
111.34155	0.9
113.01641	1.2
113.02366	12.8
115.03920	1.0
119.03426	2.7
120.09936	0.9
121.02867	1.5
125.02415	1.5
131.03435	2.1
145.02797	0.9
149.04439	2.0
159.02911	2.2
161.04539	9.7
281.08914	1.3
320.84378	0.9
347.30444	1.0
383.24506	10.9
384.24554	1.4
391.23248	1.1
515.28772	100.0
516.29108	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	575.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	14.6
61.78615	0.4
69.92564	2.5
71.01270	3.6
73.02805	0.5
78.95797	1.7
80.32446	0.4
85.02841	1.3
86.57446	0.4
89.02335	2.5
91.55936	0.4
96.95864	0.6
101.02362	3.5
107.95692	0.5
108.02060	2.2
109.02858	0.9
113.02367	2.0
119.03434	0.9
135.04411	1.4
152.01057	1.5
152.99660	0.6
161.04469	1.3
198.36540	0.4
205.23648	0.5
235.08273	1.4
249.92210	0.5
252.99855	0.6
253.09341	14.4
254.09575	0.7
279.23358	100.0
280.23694	10.2
315.11002	0.7
493.24652	0.5
575.28967	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	575.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	16.0
60.41582	0.2
70.28812	0.9
70.29175	0.3
71.01266	3.0
73.02838	0.7
83.01276	0.5
85.02852	0.7
87.00779	0.5
89.02341	2.5
95.01302	0.3
96.95949	0.3
101.02357	3.0
101.37891	0.2
113.02361	1.6
119.03426	0.6
131.26512	0.2
133.05058	0.3
143.03421	0.4
157.90016	0.2
161.04541	1.2
179.05528	0.7
181.30502	0.2
217.49742	0.2
235.08287	1.7
253.09338	13.5
254.09694	0.7
279.23358	100.0
280.23715	10.4
280.26294	0.2
401.02805	0.3
448.82831	0.3
504.34207	0.3
510.44232	0.2
512.80682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.8
61.01694	0.2
61.98721	100.0
62.98433	0.2
70.88093	0.1
70.88451	0.4
71.01294	0.6
77.98331	0.1
78.98504	0.4
79.95614	0.6
80.96413	4.5
85.02863	0.1
94.98000	0.9
101.02382	0.3
106.97977	0.2
109.02894	0.1
122.97505	0.2
125.02423	0.2
134.97487	0.2
148.99115	0.4
152.98599	0.4
164.98573	0.8
182.13083	0.1
206.99547	0.2
225.00807	0.9
254.09711	0.1
255.09938	0.2
258.11926	0.2
277.21808	1.4
278.22171	2.0
279.22495	1.3
280.22772	0.7
283.87595	0.1
299.04312	0.2
577.27002	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	571.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.5
61.98726	2.2
69.29626	1.2
69.30040	2.7
71.01260	0.7
78.95784	2.4
83.01268	0.5
95.01283	0.5
96.95923	1.7
98.20533	0.9
108.02071	0.8
111.00810	2.9
123.00797	1.2
124.01612	2.4
135.00783	0.5
137.02402	0.4
139.00301	0.9
140.01120	0.5
148.56451	0.4
152.01126	8.1
155.03484	0.5
162.60478	0.4
165.05545	0.5
166.02724	0.7
167.03458	100.0
168.03795	4.0
190.71877	0.4
191.05396	0.5
193.64108	0.4
399.00192	0.4
483.82111	0.5
495.98322	0.6
516.64069	0.4
571.17499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3065
Annotation	13beta,29-Dihydroxymilbemycin A4
Peak:m/z	Relative Intensity
51.82166	0.9
51.93189	0.8
54.31698	1.1
59.01262	7.2
61.98716	7.1
71.01262	4.4
71.10261	2.5
73.02831	1.2
75.43674	1.0
77.70152	0.9
78.95801	2.5
84.04430	5.0
85.02834	1.4
89.02351	5.7
96.53470	0.9
96.95917	20.0
96.96876	2.8
101.02382	1.9
108.02055	1.2
108.04407	1.0
109.02861	1.4
111.00757	1.0
113.02378	1.5
119.03399	2.8
120.01185	2.6
121.02892	1.4
125.02382	1.7
126.96641	1.0
137.02362	1.3
139.00323	2.3
139.03859	0.9
144.01184	3.6
146.02368	1.4
150.03131	1.8
151.00285	1.3
151.03932	1.9
161.04474	1.1
162.02185	1.4
165.01959	1.6
165.05504	1.5
169.28903	0.9
179.03430	1.1
179.05618	1.7
179.07094	1.3
180.04308	2.1
188.00276	3.4
195.06538	1.7
216.60666	0.9
225.07735	1.4
230.01308	3.4
242.91708	1.0
316.02368	1.4
331.04645	1.6
347.11404	3.6
361.16666	1.3
365.05359	1.2
368.06689	6.3
375.27579	3.6
537.32959	44.2
538.33429	7.5
573.30603	100.0
574.22504	1.9
574.30994	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	575.2727
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
50.73018	0.5
55.01781	1.1
57.03333	1.4
58.00483	2.0
58.02854	0.8
59.01270	29.7
60.99192	1.0
61.98730	2.2
64.16605	0.5
70.59301	0.4
71.01273	27.5
71.52711	0.9
72.01601	0.8
72.99207	3.3
73.02843	3.5
75.00763	1.0
76.02254	0.5
78.95833	0.6
83.01286	3.8
83.44712	0.5
84.02103	0.5
85.02847	8.0
86.00010	1.0
87.00793	1.9
88.98701	6.6
89.02345	18.1
90.14560	0.5
93.03364	0.6
95.01289	2.3
96.95940	2.4
96.96901	0.4
99.00787	1.9
99.04442	0.6
101.02358	19.5
102.01907	0.8
108.02085	16.5
111.00732	0.4
113.02361	11.0
119.03428	6.9
121.02840	0.7
123.04440	8.3
124.01628	0.6
124.04749	0.6
125.02406	1.0
125.06048	0.4
126.99494	0.5
131.03661	0.8
133.02914	1.3
135.04456	1.6
137.02406	0.8
139.00304	0.6
143.03429	0.8
145.02872	0.7
151.03987	0.5
152.01099	35.3
153.01648	1.9
153.56395	0.5
154.02641	0.8
160.01709	0.5
161.02409	2.6
161.04555	1.5
163.07652	0.6
167.03459	67.1
168.03763	2.9
175.03983	0.9
177.01965	0.5
179.03481	0.9
179.05627	1.7
201.12894	0.8
207.06606	1.0
217.72346	0.4
219.13937	0.9
221.04448	0.8
235.06113	1.1
237.23558	0.5
250.08516	0.5
255.03081	1.5
263.13034	3.1
264.13193	0.6
266.90677	0.5
284.03333	1.4
285.04138	2.7
323.08139	0.6
392.39053	0.4
395.20682	1.5
398.23352	0.6
407.17487	1.1
413.21912	100.0
414.22229	10.5
431.10190	1.3
437.22122	1.3
575.21796	8.3
576.22150	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	570.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35735	0.2
56.06672	0.2
57.40549	0.1
58.78658	0.2
59.01266	2.9
60.05440	0.2
61.98721	100.0
62.98432	0.3
63.81750	0.2
71.01285	0.7
71.52505	0.2
78.95815	0.2
83.01319	0.2
89.02350	0.4
96.95927	0.3
101.02377	0.6
108.02086	0.2
109.02829	0.2
113.02416	0.2
121.02913	0.2
123.00760	0.2
125.02396	0.3
153.01884	0.2
153.26503	0.2
163.03983	0.2
165.05556	0.2
173.06030	0.5
183.08179	0.3
183.10432	0.2
201.05540	0.9
219.06750	0.9
227.07082	0.4
227.11063	0.2
228.58160	0.2
255.57764	0.2
290.78290	0.2
317.14026	1.2
408.21405	0.2
409.22653	0.7
570.27740	0.7
571.25787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79635	1.2
54.41976	1.3
59.01265	40.5
61.98720	45.4
71.01274	3.9
78.95802	1.8
81.03352	1.5
85.02812	2.1
87.04390	2.1
89.02325	4.5
96.95921	2.3
101.02319	4.1
104.18682	1.6
113.02409	1.8
118.06497	1.4
120.08089	1.9
121.05235	3.1
122.06055	15.6
124.66346	1.7
125.02350	5.4
131.03435	1.9
134.06012	1.8
149.04489	2.0
153.01843	5.0
160.06447	7.5
163.77769	1.4
168.04253	4.8
173.06029	1.9
179.03181	1.5
183.06573	4.3
183.10242	6.3
201.05519	6.4
213.08311	2.2
213.10336	33.6
214.10730	2.7
219.06554	5.7
226.11211	2.4
239.11954	6.5
240.56027	1.6
241.13484	22.7
242.13756	1.5
265.13327	1.8
267.15103	9.6
270.01349	1.4
285.12518	100.0
286.12921	8.2
311.02127	2.8
312.02625	5.8
313.03516	4.0
315.05206	2.4
317.14081	7.6
326.04355	2.5
329.15558	1.7
341.06741	5.0
343.04675	18.1
344.04825	1.7
358.07034	18.5
358.15741	2.5
359.07489	4.0
372.17316	2.3
373.09360	68.4
374.09433	7.3
386.18835	3.0
387.19229	3.4
409.22403	6.1
430.17557	2.4
527.26654	3.0
541.24713	2.5
553.24298	14.2
565.50122	1.5
571.25653	68.1
572.25696	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	571.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84678	2.2
59.01272	14.3
61.98720	100.0
63.99144	4.3
64.35670	2.5
67.67854	2.2
69.32497	19.3
69.32897	5.6
71.01279	4.8
78.95792	3.0
87.00771	2.7
96.95899	5.1
98.20496	5.0
101.02346	3.9
105.21594	2.3
109.02895	2.2
111.14073	2.5
123.04421	3.0
125.02355	2.6
145.02869	4.4
152.54263	2.3
152.99484	3.0
157.12067	2.6
219.06523	2.9
221.75844	2.8
236.07195	5.3
240.04317	2.7
244.06029	2.2
268.59195	2.4
284.03177	4.4
285.00388	6.4
285.12396	4.5
287.14243	2.6
288.02728	2.8
329.03021	2.5
343.04657	33.9
344.05103	6.4
358.07065	22.1
359.07629	4.5
373.09357	73.7
374.09775	12.4
521.13440	3.1
571.29523	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84090	7.9
59.01270	78.7
61.98718	100.0
69.36975	52.6
69.37391	25.1
71.01257	25.2
73.02843	9.6
77.17321	8.1
78.95811	8.6
80.86859	7.2
85.02820	11.9
87.46336	7.9
88.98696	11.3
89.02338	14.8
93.03386	25.4
95.01228	10.0
96.95907	43.5
97.61506	8.8
101.02372	17.6
108.02095	8.6
109.02839	12.1
109.43013	8.1
111.00836	9.2
113.02329	8.2
115.07476	9.2
121.02859	34.5
122.03649	13.4
123.00821	12.5
123.04462	9.6
124.01582	8.5
125.02386	22.5
137.02374	27.2
137.06122	8.3
138.03152	12.8
152.01076	8.3
161.02422	10.2
165.05539	26.2
167.03459	9.4
173.06044	12.2
201.05580	25.2
219.06618	39.2
220.07230	8.3
227.07191	46.7
231.30577	8.2
268.57135	8.2
287.14029	13.0
304.36633	8.3
317.13971	38.4
361.16635	31.0
373.09436	20.8
373.26068	8.8
397.79465	8.9
409.22552	21.2
563.75873	10.1
571.15930	22.2
571.25800	18.0
572.27527	9.9
592.65320	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	570.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.8
61.98722	100.0
62.98421	0.1
68.31872	0.1
69.28981	0.9
69.29390	0.5
69.96258	0.2
70.70259	0.1
71.01292	0.6
72.39374	0.2
73.02856	0.1
74.37975	0.1
78.95844	0.2
89.02357	0.5
101.02388	0.3
113.02311	0.2
125.02375	1.3
128.03462	0.2
143.04553	0.2
144.80838	0.1
162.88918	0.1
209.11824	0.3
209.73926	0.1
219.19283	0.1
306.08002	0.3
315.05258	0.3
409.22278	0.9
495.14655	0.2
511.25943	0.2
580.50952	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03359	1.7
59.01265	13.5
61.98720	75.7
64.97205	0.9
71.01273	17.3
72.99200	1.7
73.02847	5.6
75.00784	1.3
78.95800	2.0
80.96413	1.5
81.03344	1.6
83.01270	3.1
85.02853	6.6
87.00777	1.4
87.04415	100.0
88.04753	2.8
89.02341	6.4
90.77103	1.1
96.95905	1.4
99.00778	4.1
101.02354	10.4
106.42677	1.1
107.75842	1.0
113.02336	4.8
123.04483	1.1
125.02364	5.5
161.04501	3.2
171.10262	4.2
196.23059	0.9
233.06699	1.1
280.31442	1.1
283.18420	1.0
312.67096	1.0
377.21841	3.3
385.52451	1.0
407.20831	16.6
408.21167	2.4
421.21002	4.0
509.26144	59.5
510.26605	10.5
535.14960	1.3
535.77661	1.2
569.28497	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	570.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
58.00460	0.4
59.01268	3.1
61.60210	0.4
61.82447	0.4
61.98720	100.0
71.01275	4.0
71.52736	0.6
72.99176	0.4
73.02846	1.4
76.45389	0.4
78.95776	0.5
80.96373	0.5
83.01290	0.5
83.02438	0.6
85.02880	2.2
85.61891	0.4
87.00770	0.6
89.02345	1.5
93.03326	0.4
95.01317	0.4
96.95904	1.0
97.02896	0.5
99.00793	0.5
101.02344	3.7
108.02103	0.5
109.02888	2.0
110.73805	0.4
111.00776	0.5
111.94348	0.4
113.02396	1.2
119.03407	0.4
121.02882	0.5
121.98848	0.4
123.04478	0.7
124.01591	0.9
125.02392	0.8
133.02846	0.6
135.04391	0.5
137.02409	0.9
139.03972	2.1
150.03195	0.8
151.00417	0.5
151.03931	0.8
153.01852	0.4
153.05540	0.5
159.04398	1.0
161.02423	1.1
161.04536	0.6
163.04007	0.5
164.04715	0.5
165.05537	1.6
169.05057	1.2
173.06029	0.8
177.01875	0.5
179.07069	0.4
189.05563	1.0
195.06593	0.9
196.06926	0.4
203.03548	0.5
203.07248	0.4
215.03578	0.5
218.10532	0.6
241.05154	1.2
242.05426	0.4
243.03035	0.8
246.28735	0.4
255.06712	0.9
259.02640	1.3
259.54636	0.4
271.02637	1.7
287.02042	2.8
299.09256	0.8
300.10049	0.5
301.03702	0.8
313.10901	1.3
315.01556	9.3
316.01892	1.0
329.03186	1.8
330.03876	16.3
330.14423	0.5
331.04147	2.0
344.12698	3.2
345.06232	26.3
345.13150	1.9
346.06595	2.1
354.36084	0.5
358.14221	2.1
359.14957	7.5
360.15594	2.7
373.16690	5.3
373.26273	0.5
374.17023	2.8
407.26462	2.6
408.26828	0.7
507.11301	8.1
508.11667	1.0
509.33566	0.5
533.29840	0.5
569.24341	2.1
569.32129	5.5
570.25500	2.9
570.32330	3.3
571.27637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01727	0.9
57.03318	2.4
59.01269	29.4
61.98723	100.0
66.46267	1.1
71.00898	1.3
71.01277	17.7
71.52484	1.3
73.02847	5.7
74.56918	0.9
78.95791	1.1
83.01281	2.5
85.02837	7.7
86.06308	1.0
87.00776	1.1
89.02328	3.4
95.01257	1.4
96.95901	1.5
99.00783	1.2
101.02356	12.3
102.02647	1.0
113.02359	6.2
119.03390	1.1
123.04427	2.0
125.02347	3.2
125.55428	0.9
135.04445	1.3
148.03998	1.0
149.04420	1.0
152.99530	1.0
153.05499	2.6
159.02850	1.1
161.02408	1.5
161.04504	5.0
169.05104	1.0
179.03477	1.1
179.05417	0.9
237.15645	1.1
239.09152	1.1
243.19691	4.0
248.07233	1.1
249.59364	0.9
345.30161	3.2
369.12320	1.2
389.77264	0.9
405.06812	1.1
405.24924	1.0
507.35504	52.2
508.35843	8.9
567.23444	6.3
567.31580	1.7
568.25635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84505	0.2
59.01264	3.8
60.01607	0.2
61.98719	100.0
62.98421	0.2
70.03215	0.6
71.01276	2.2
73.02827	0.7
74.03181	0.2
78.95790	0.2
83.01270	0.4
85.02849	0.9
87.00815	0.2
87.04418	0.9
89.02355	0.6
97.02863	0.2
99.00788	0.2
101.02354	1.4
102.02699	0.3
109.02888	0.2
113.02355	0.8
117.42731	0.1
119.34771	0.1
124.01629	0.3
125.02384	0.3
126.31686	0.2
128.94568	0.1
137.46130	0.1
139.03969	0.2
144.76535	0.1
151.03931	0.2
152.99570	0.2
161.04547	0.5
230.19858	0.2
253.11591	0.1
346.30508	0.2
353.95215	0.1
377.21497	0.2
475.40570	0.2
507.35568	1.3
508.35809	6.1
509.26419	0.2
509.36365	0.6
568.30823	0.4
569.26666	0.2
570.77972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60489	0.1
56.01575	0.1
59.01270	0.8
60.01603	0.1
61.98720	100.0
62.98439	0.3
71.01299	0.4
71.52656	0.1
72.99209	0.3
73.02834	0.1
85.02854	0.1
87.04424	1.0
88.98721	0.1
89.02354	0.2
91.00281	0.1
96.95995	0.1
96.96864	0.1
101.02386	0.3
113.02351	0.2
120.20187	0.1
123.04433	0.1
150.47533	0.1
152.99596	0.1
157.96043	0.1
161.04565	0.1
171.10298	0.1
190.54460	0.1
209.11842	0.1
245.96976	0.1
247.62915	0.1
314.04074	0.1
315.04309	0.2
330.06723	0.1
333.63498	0.1
343.24731	0.1
344.08731	0.3
345.09067	0.3
346.09225	0.3
378.55975	0.1
400.32358	0.1
407.20917	0.2
507.35376	0.1
508.35248	0.5
509.26514	0.3
569.30682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90298	0.8
58.00473	2.4
59.01267	67.1
60.01582	0.8
61.98722	27.3
69.03379	1.1
69.40398	3.0
69.40833	3.5
69.78445	0.8
71.01272	46.8
72.99200	3.0
73.02844	15.0
74.34211	0.7
78.95806	1.3
83.01286	1.3
83.12619	0.7
85.02854	5.8
87.00742	1.7
89.02341	100.0
90.02693	0.8
97.02879	1.3
98.19852	1.7
99.00784	29.3
99.01440	1.5
101.02353	42.1
102.02663	1.2
113.02361	9.4
115.03944	1.2
119.03421	3.3
125.02403	3.4
131.03438	15.7
143.03432	3.5
149.04501	80.1
150.04857	2.0
152.99585	0.9
161.04507	6.8
167.03474	0.7
169.05063	1.0
172.48390	0.7
179.05562	1.3
191.05586	19.6
221.06708	8.6
230.61588	0.8
251.07710	5.4
253.32133	0.7
284.07675	0.8
293.08817	2.5
311.09946	5.5
323.09778	1.0
507.34930	0.9
531.27948	1.8
567.25830	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	567.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.1
59.46572	0.4
61.98712	0.8
63.96125	0.6
71.01280	5.6
71.20231	0.9
71.93240	0.4
73.02838	1.2
73.97797	0.4
74.06173	0.4
77.13667	0.4
78.95789	0.5
78.98487	4.1
79.95627	8.6
80.47480	0.4
80.96413	54.0
81.03373	0.7
85.02407	0.4
85.02826	2.2
87.00766	2.0
91.89523	0.5
94.97988	13.4
96.95901	0.8
97.02857	1.2
99.00777	0.8
99.04434	0.6
101.02325	2.2
106.97984	2.6
122.97505	5.4
125.02392	3.3
127.03930	1.0
134.97516	3.9
136.99088	1.2
148.99097	5.9
152.98569	6.0
152.99606	0.6
164.98586	9.5
167.00174	0.5
182.99641	2.5
206.99675	2.7
225.00752	15.4
243.01842	1.2
255.23360	0.6
267.23376	3.5
268.23547	0.5
286.75488	0.4
299.04526	2.2
355.90378	0.4
416.30341	0.4
482.26260	0.9
567.28589	100.0
568.28937	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	567.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.4
57.03334	1.8
58.00488	1.2
58.13525	0.5
59.01268	19.3
61.98721	40.7
62.98416	1.0
63.99156	0.6
69.03342	0.9
69.35483	2.9
69.35902	1.8
71.01274	31.1
72.01606	0.7
72.99196	1.9
73.02840	12.2
75.00761	0.9
81.03380	0.5
83.01286	4.6
84.02048	0.5
85.02848	13.6
85.99982	0.5
87.00774	2.1
89.02341	12.7
89.79242	0.5
93.03367	0.6
95.01283	2.3
96.95926	0.8
97.02861	1.5
99.00792	5.8
101.02353	28.2
102.02683	0.6
111.00761	0.7
113.02366	13.3
115.03938	1.5
116.92779	0.7
119.03428	2.6
119.23045	0.5
120.72685	0.5
121.27468	0.5
125.02348	2.0
131.03401	1.5
133.02925	0.6
134.36816	0.6
143.03430	1.7
146.02408	1.4
149.04530	1.2
149.05998	0.5
153.01892	0.5
159.02942	2.0
161.02422	1.3
161.04512	8.4
165.05511	0.7
173.06163	0.7
177.01935	0.9
179.03398	0.5
179.05559	1.1
181.05084	1.1
207.10265	0.7
213.05539	0.6
233.06680	1.0
240.06660	2.1
242.08295	0.6
243.12413	1.6
293.09476	0.7
332.21948	0.5
341.10623	1.0
372.12344	1.4
373.12704	0.6
375.24042	11.8
376.24136	1.2
387.14612	12.3
388.15082	2.2
419.22855	1.5
504.88626	0.5
507.28235	100.0
508.28610	14.9
567.15222	0.6
567.22980	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	567.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61938	0.4
55.01777	0.6
57.03321	0.3
59.01269	4.8
61.98483	0.3
61.98726	4.3
67.01805	0.5
68.87308	0.4
68.90109	0.4
68.99706	0.5
69.03345	1.0
69.78266	1.6
71.01276	4.2
72.99194	0.5
73.02843	1.4
75.00768	0.6
77.03831	0.4
78.95792	0.5
79.01791	0.4
81.03359	2.0
83.01289	1.2
83.04892	0.7
85.02850	1.7
87.00787	0.5
87.15559	0.3
89.02352	2.0
93.03355	3.4
95.01288	7.1
96.01668	0.4
96.95920	1.1
96.96877	0.4
97.02845	1.3
99.00784	0.7
99.04456	0.5
101.02348	3.1
105.03403	0.9
107.01292	5.5
108.02072	1.1
109.02876	1.5
111.00807	0.6
113.02361	1.2
116.92770	0.6
119.03465	0.6
119.04949	0.7
121.02892	3.1
123.00806	5.9
123.04438	1.3
124.01606	3.4
125.02377	13.2
131.03412	0.5
133.02885	1.0
135.00813	0.9
135.04469	1.0
136.01607	0.5
137.02379	10.5
139.03931	1.2
141.01903	1.8
142.00560	0.4
145.02908	0.8
146.02335	0.4
149.02377	1.5
149.99538	38.5
151.00333	21.5
151.03925	1.4
152.00894	1.4
153.01900	1.6
160.01581	0.5
161.02368	1.1
161.04520	0.5
162.03082	0.4
163.00346	1.6
163.02640	0.4
163.03999	1.3
165.01907	3.2
166.99821	0.4
167.03474	3.0
168.00607	13.1
169.01389	9.9
175.03995	0.9
177.01953	1.5
177.05400	0.4
179.03473	0.9
179.07138	0.5
191.03476	0.6
193.01425	5.5
193.05031	1.0
195.02980	0.8
195.06676	0.5
198.01886	0.4
205.01424	0.5
205.05173	0.4
205.07182	0.5
207.03178	1.0
211.02460	0.5
223.02638	0.5
225.02034	0.5
235.02763	1.6
238.05045	0.5
243.06808	0.6
245.03723	0.7
246.04315	2.8
248.04628	0.5
251.02173	0.5
262.03809	0.6
263.02274	1.1
266.04721	1.0
277.08759	0.5
279.01807	2.4
280.02612	2.0
289.02527	0.5
290.03326	2.7
302.04553	1.1
303.05475	0.8
304.09882	0.7
305.08026	1.1
314.08224	0.5
331.04883	0.6
332.09369	2.9
333.07214	1.9
334.08023	0.5
359.10425	1.2
360.08859	5.0
361.09167	0.9
387.09998	15.7
388.10266	2.2
405.15823	0.6
431.12067	0.7
440.08813	0.4
441.10669	1.0
459.11566	100.0
460.11954	12.2
469.08914	4.3
470.09702	1.7
507.28101	0.9
521.33466	3.7
540.15277	6.5
541.15680	1.1
567.17383	1.3
567.25195	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	566.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25557	0.2
59.01266	15.9
60.01608	0.2
61.98721	0.5
71.05160	0.2
71.53004	0.3
71.53392	0.2
77.18553	0.2
78.95797	5.9
80.96463	0.2
83.52821	0.2
93.94270	0.2
101.31353	0.2
125.09660	0.3
148.99458	0.2
152.99513	1.8
168.04245	1.6
171.10201	0.2
185.11775	0.2
209.11890	0.4
224.06969	1.1
225.11386	0.7
226.11859	0.3
242.08000	2.4
257.13965	0.3
267.23349	100.0
268.23685	8.6
289.18173	0.5
290.18546	0.9
307.19254	0.7
308.19583	0.8
317.80713	0.2
492.31064	36.3
493.31403	4.9
507.27078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05747	0.8
59.01263	9.1
59.09194	0.7
60.29736	0.7
61.98722	14.1
68.99715	0.9
71.01271	7.3
71.59731	0.8
71.60117	1.1
72.99185	1.1
73.02825	1.9
75.00812	1.0
79.01800	0.8
81.03370	1.3
81.07055	0.9
83.01280	1.4
83.04935	0.8
85.02847	3.1
87.00760	2.2
87.20508	0.9
88.98701	0.8
89.02333	3.7
93.03363	5.0
95.01279	7.3
96.95889	1.4
97.02850	1.7
99.00787	0.9
101.02349	5.1
105.03369	1.5
107.01279	3.8
108.02094	2.5
109.02898	2.2
111.00801	1.4
113.02319	1.8
117.03415	1.0
119.03424	1.5
121.02856	2.4
123.00837	6.1
123.04437	1.9
124.01602	4.8
125.02386	13.9
132.02112	1.4
133.02843	2.2
134.03722	3.8
135.00713	0.8
135.04530	0.8
137.02380	12.3
139.03925	2.1
141.01901	1.6
145.02856	1.6
146.02444	1.1
149.02383	1.5
149.06020	1.3
149.99532	38.0
151.00337	20.9
151.03940	2.3
152.01051	1.1
153.01884	3.0
154.37238	0.8
158.86740	1.0
160.01604	8.7
161.01958	5.9
161.99567	0.9
162.02119	1.6
163.00266	2.1
163.04027	1.1
165.01869	3.5
167.03456	3.8
168.00604	12.2
169.01387	10.8
175.03992	10.3
176.04327	5.6
177.01859	3.0
177.04414	1.5
179.03471	1.7
193.01427	5.4
193.05040	3.0
194.05302	1.6
195.02986	0.9
197.04704	1.1
207.03107	1.3
235.02771	1.9
236.03358	0.9
238.05223	0.9
243.06589	1.1
246.04381	4.4
251.02164	1.4
259.37039	0.8
261.03116	0.9
262.03699	1.2
263.02316	2.5
265.03802	1.0
266.04593	2.2
274.05176	1.2
278.04846	0.8
279.01727	7.1
280.02441	2.1
287.06036	1.0
288.10165	1.0
289.02686	1.1
290.03384	3.9
302.04559	1.8
303.05664	1.1
304.09781	1.2
305.08337	2.7
314.08142	0.9
316.06259	1.0
316.09744	0.9
331.04828	2.0
332.09317	6.3
333.07819	2.5
348.05252	0.9
358.06049	1.6
359.10498	3.2
360.08798	13.0
378.09738	0.9
387.09933	30.6
388.10434	4.4
459.11560	100.0
460.11963	11.0
469.09052	7.7
470.09717	3.5
507.28375	0.8
521.33594	8.2
522.33582	1.0
540.15216	11.7
541.15417	1.3
566.26929	6.2
567.17786	1.1
567.27252	13.2
568.26459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.9
57.03345	3.0
58.00478	3.5
59.01267	99.9
60.01608	1.0
61.98720	41.2
70.79655	1.8
71.01273	62.2
72.01617	1.3
72.99210	2.6
73.02848	8.4
75.00750	0.8
78.95810	2.5
83.01283	4.8
85.02852	18.4
86.99110	0.7
87.00781	3.8
89.02344	60.1
90.02694	1.0
95.01281	5.1
97.02882	1.5
99.00793	3.6
101.02351	37.7
105.01889	0.8
113.02361	30.1
119.02573	1.4
119.03425	27.3
120.03751	0.8
121.02915	1.1
121.10163	1.2
125.02390	1.4
130.94067	0.7
131.03406	2.7
132.67209	0.7
135.04448	16.5
136.04787	0.8
143.03432	6.3
149.04463	3.4
149.05861	0.7
151.03955	1.9
152.99529	3.2
155.10728	0.9
159.02945	2.6
160.01656	1.0
161.02454	1.2
161.04520	20.6
163.03963	100.0
164.04312	5.5
165.01797	1.1
169.75832	0.7
173.06024	0.9
175.04025	1.7
176.04842	0.8
176.46080	0.8
177.05530	0.9
178.06323	78.4
179.05495	18.1
180.58073	0.8
189.09265	1.0
191.07097	0.9
193.08684	72.4
194.05797	1.7
194.09024	5.6
209.08165	3.3
221.04631	1.3
222.05220	0.8
225.07993	0.9
227.07222	1.0
270.01865	0.8
285.03976	0.9
296.03317	0.8
299.05664	2.6
311.25690	0.9
313.03632	6.2
313.27441	1.8
314.04004	1.1
322.14542	1.0
328.06009	6.5
329.06235	1.2
337.09326	1.0
341.08871	4.3
341.27023	2.4
343.08356	12.2
343.24585	1.3
343.28574	13.7
344.08484	2.4
344.29041	1.8
356.11212	1.7
371.13583	9.2
372.14053	1.0
390.51099	0.8
479.21036	0.8
505.13828	5.0
505.33945	51.4
506.34308	8.6
529.26434	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.8
57.03337	3.3
58.00475	3.1
59.01265	100.0
59.96349	0.6
61.98719	37.5
70.32081	1.9
70.32459	1.3
71.01272	53.1
71.04901	0.7
72.01618	1.1
72.99203	3.5
73.02839	9.7
73.81065	0.7
75.00768	0.9
78.95792	2.6
83.01280	4.9
83.33532	0.6
85.02844	17.7
87.00754	3.9
87.04445	0.6
89.02341	50.8
90.02732	0.8
95.01285	4.1
97.02861	1.1
99.00797	4.5
101.02351	38.8
102.02705	0.8
111.00835	0.8
113.02361	23.8
114.02676	0.7
119.03425	22.7
121.02906	0.9
121.10145	1.5
125.02366	2.4
125.09668	0.8
129.01924	0.7
131.03461	3.7
135.04456	10.5
136.04953	0.6
142.65076	0.6
143.03416	6.8
149.04530	2.9
151.03958	1.4
152.99527	4.4
159.02972	2.7
159.04504	0.6
160.01607	1.9
161.02451	0.9
161.04527	19.7
162.04936	0.9
163.03964	65.8
164.04317	3.2
165.01917	1.3
167.03447	0.9
175.04019	3.4
177.05559	1.5
178.06322	46.8
179.03349	0.9
179.03728	0.8
179.05533	17.3
185.15471	2.0
189.09145	1.0
193.08698	42.6
194.05867	1.0
194.08977	3.0
201.05568	0.8
205.03627	0.8
209.08223	2.4
213.18623	0.8
219.06732	1.0
221.04745	0.8
225.07957	1.2
227.07236	1.8
242.02382	1.2
256.03784	1.5
269.04669	1.5
269.10321	0.7
270.01868	1.1
284.03308	1.5
285.04193	2.1
298.01181	0.8
299.05670	5.1
311.26117	0.9
313.03625	14.3
313.27768	1.9
314.03998	1.9
317.14050	1.8
322.14786	1.3
327.05353	2.5
328.05981	13.6
329.06339	0.9
337.09515	1.1
341.08994	2.7
341.27130	2.7
342.08719	0.7
343.08307	22.7
343.28552	15.0
344.08694	2.5
344.28918	1.1
356.11292	1.8
371.13638	6.7
372.13712	0.7
473.54672	0.8
479.20532	1.1
495.29016	0.7
505.13809	9.5
505.33932	57.7
506.14014	2.2
506.34219	9.8
506.41345	0.7
529.26239	0.8
565.25433	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	565.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.4
57.03329	1.9
58.00473	1.0
59.01267	29.7
61.98717	8.2
69.03340	1.2
69.45812	7.2
71.01273	34.9
72.99203	3.6
73.02845	10.4
79.69320	0.8
81.51346	0.8
83.01279	4.0
85.02848	10.2
85.33746	0.8
87.00771	2.3
88.98706	2.0
89.02341	23.3
91.00275	0.8
95.01283	1.9
96.54276	0.8
96.95927	1.7
97.02866	1.1
99.00780	5.6
101.02351	26.3
102.02703	1.2
106.03655	0.8
108.02072	2.0
109.02887	2.1
113.02368	12.0
113.03079	1.4
119.03421	4.5
119.89011	0.9
121.02874	1.1
123.00812	0.9
123.04404	1.0
124.01592	2.3
125.02377	3.9
131.03398	1.5
132.02142	0.9
133.26537	0.9
134.03659	1.9
137.02391	1.1
137.09619	1.0
139.00287	0.8
139.03941	2.2
143.03444	1.1
147.04460	1.0
149.04500	3.1
149.06042	1.1
151.00258	0.9
152.01106	1.9
153.01901	3.3
153.05522	1.4
155.10730	1.6
159.02963	1.3
160.01653	7.1
161.04509	7.2
167.03563	1.4
171.10216	1.6
175.03979	9.6
177.01782	0.8
179.03444	1.2
191.03516	1.0
191.05571	1.4
193.05064	2.4
194.05762	1.9
197.11845	1.8
199.09697	0.9
209.08195	1.7
221.08185	1.8
226.41917	0.9
233.06761	1.2
255.58887	0.8
308.46707	0.8
327.21896	2.2
328.22214	2.1
329.22583	1.9
338.88443	0.8
373.22385	11.6
385.13016	2.8
406.99210	0.9
505.26672	100.0
506.26993	15.8
565.26874	7.0
566.27356	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.9
59.01265	26.8
59.45506	1.2
61.98721	15.8
70.01343	2.9
70.01727	2.5
71.01273	38.1
72.99194	3.8
73.02844	17.3
75.00770	2.0
79.72586	1.2
83.01260	5.9
85.02843	13.8
85.52993	1.1
87.00776	3.7
89.02338	18.4
93.03337	1.1
95.01297	3.7
96.16014	1.2
96.95934	9.1
97.02838	2.0
99.00786	10.2
101.02346	28.6
108.01992	1.3
109.02859	1.8
111.00819	1.6
113.02357	13.9
115.03901	1.1
119.03401	1.8
123.00777	4.0
124.01572	3.6
125.02359	5.3
128.03481	1.7
131.03400	5.6
133.02893	1.8
135.04442	4.2
136.54958	1.0
137.02345	1.9
139.00261	1.3
139.03961	4.5
143.03342	2.5
149.02428	1.2
149.04488	7.1
151.00383	1.6
159.02998	1.8
160.01646	1.6
161.02357	3.3
161.04480	7.0
162.04990	1.2
162.08218	1.2
166.04987	1.6
167.03412	2.0
175.03981	1.9
190.02747	1.4
191.05565	3.2
193.05031	1.4
203.92068	1.3
204.13121	1.2
257.04593	5.0
271.02472	1.5
281.14023	6.4
301.09396	1.4
335.55038	1.1
341.10474	1.7
361.17401	1.4
370.10568	1.6
372.21063	2.5
373.13135	5.9
373.22086	10.0
385.13281	2.2
403.14063	3.2
465.17795	1.2
505.26697	100.0
506.26834	12.5
521.09570	1.6
565.15039	4.7
566.15527	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61837	0.6
55.01776	3.2
57.03335	2.9
58.00486	1.5
59.01270	34.0
60.50177	0.6
61.98725	8.1
62.12177	0.6
63.15233	0.6
64.65707	0.7
69.46227	1.2
69.46614	5.2
71.01275	30.9
72.01631	0.7
72.99193	1.6
73.02843	9.9
75.00773	0.7
80.91631	0.7
83.01285	5.2
85.02848	16.3
87.00764	1.6
89.02345	10.6
93.88337	0.6
95.01301	1.9
97.02852	1.0
98.20526	1.4
99.00774	4.1
101.02350	23.9
111.00784	3.3
113.02364	13.1
119.03416	2.9
123.04472	1.0
125.02370	1.5
129.09106	0.7
133.67647	0.7
139.03979	1.0
143.03439	1.1
149.04512	2.5
152.04553	0.6
152.99518	0.8
153.05511	1.8
157.12288	1.5
159.02977	1.8
160.01570	1.0
161.04507	6.0
171.10216	1.0
171.13773	1.0
175.03961	1.8
179.05634	0.7
185.11845	0.7
253.09225	0.7
255.09901	0.8
291.38278	0.6
301.90417	0.7
307.03580	0.7
310.21109	0.9
313.11365	0.6
327.21619	1.0
328.22235	1.6
329.22736	1.4
343.28647	4.6
505.33984	100.0
506.34323	15.3
565.19556	1.1
565.26117	0.9
565.33411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59570	0.5
55.01764	2.4
55.88517	0.5
57.03336	2.7
58.00476	0.7
59.01266	20.6
59.90811	0.5
61.98722	5.4
69.03349	1.2
71.01275	34.7
71.52568	0.9
72.99200	1.9
73.02840	15.3
75.00761	1.2
81.03387	0.8
83.01281	4.8
85.02849	15.0
85.99961	0.7
87.00770	2.4
88.98713	1.8
89.02343	14.4
95.01302	2.5
96.95908	4.7
97.02856	2.0
99.00779	9.1
101.02351	29.8
102.02650	0.7
108.02111	1.1
109.02844	1.0
111.00812	0.8
113.02364	13.4
115.03919	1.9
116.92754	2.9
119.03399	1.4
123.00807	0.9
123.04476	1.0
124.01641	0.6
125.02364	5.1
129.01842	0.7
131.03439	1.5
137.02364	2.3
138.03055	0.5
139.03979	1.2
143.03436	1.9
149.04514	3.3
151.00276	0.7
153.01825	1.1
159.02936	2.0
160.01637	1.0
161.02382	2.3
161.04500	9.5
167.03470	1.3
175.03888	0.9
177.01894	1.0
179.05525	0.7
191.05513	1.4
191.07097	0.9
193.04996	0.8
205.03461	0.8
233.06653	0.8
241.10861	0.7
243.48288	0.5
257.08261	0.8
259.74573	0.6
265.07205	0.6
267.06772	2.0
279.06732	1.3
293.09000	1.1
294.09006	1.2
295.06226	2.6
297.30740	0.6
310.08566	2.3
311.09665	0.7
325.10815	1.4
326.11313	0.6
340.09375	0.8
355.08066	0.9
355.11914	5.6
356.12372	1.4
357.06244	0.7
370.10660	0.8
373.05923	4.0
373.22348	11.7
374.22839	1.5
385.13037	4.0
386.13318	0.7
388.07959	2.1
389.16217	3.0
389.25833	0.8
403.10233	4.8
417.21326	0.6
503.47900	0.6
505.26712	100.0
506.27029	15.7
513.83356	0.8
537.32910	1.0
565.14423	0.7
565.21887	0.7
566.09845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29138	0.2
55.01768	0.5
57.03343	0.5
58.86384	0.2
59.01271	3.0
61.98724	1.0
69.42590	1.7
71.01277	3.7
73.02842	1.3
75.00741	0.2
77.61835	0.2
83.01298	0.8
83.32816	0.2
85.02843	2.6
87.00770	0.4
89.02344	0.7
89.03841	0.3
95.01288	0.5
95.04931	0.2
95.53758	0.2
97.26373	0.2
99.00813	0.7
101.02350	2.3
105.03359	0.8
111.00726	0.2
113.02379	1.4
117.03377	0.8
119.04883	0.4
123.04443	0.5
125.02390	0.3
132.02107	18.5
133.01620	0.9
133.02866	4.7
134.03674	17.7
135.04387	1.0
137.02393	1.3
139.03920	0.5
147.04459	0.6
149.06030	2.1
153.05507	0.4
160.01614	92.0
161.01950	4.9
161.04454	0.5
175.03972	95.9
176.04303	5.7
177.01883	0.8
177.05482	0.6
178.02713	1.1
179.03467	1.4
193.05043	13.0
194.05411	0.8
211.13411	0.4
221.04619	0.6
225.15057	0.3
229.14426	0.3
230.90279	0.2
253.09442	0.4
254.04671	0.2
274.60733	0.2
297.72955	0.2
318.17902	0.2
328.83878	0.2
329.23352	0.9
373.22330	0.3
505.26532	1.8
505.34134	1.0
506.27539	0.3
538.13416	0.5
550.24127	0.7
551.25238	0.2
565.26672	100.0
566.27057	17.0
568.87006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.2
61.98725	1.5
66.10449	0.2
69.51498	1.1
69.51930	1.0
71.01273	2.9
73.02839	1.1
77.86916	0.2
83.01282	0.7
85.02850	2.3
87.00791	0.3
89.02335	0.4
89.03873	0.3
98.19800	0.5
99.00758	0.4
101.02325	1.7
105.03368	0.6
113.02335	1.1
114.71764	0.3
117.03357	0.7
119.04937	0.3
121.02896	0.3
125.02348	0.3
132.02104	15.0
133.02930	3.4
134.03674	17.0
135.04373	0.9
137.02359	1.4
139.03966	0.4
149.06020	2.1
160.01617	81.1
161.01950	3.8
163.03972	0.3
175.03975	89.5
176.04318	5.9
177.01894	0.4
177.05504	0.6
178.02719	0.6
179.01030	0.3
179.03456	1.4
193.05054	12.4
194.05353	0.7
227.16464	0.3
252.03545	0.3
394.52191	0.3
505.34119	0.4
550.24304	0.9
565.26691	100.0
566.27045	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	565.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
58.45156	0.2
59.01270	2.8
60.99516	0.3
61.98709	1.0
69.34477	2.7
71.01272	4.4
72.99194	1.2
73.02846	1.1
75.00776	0.4
83.01291	0.6
85.02837	1.9
89.02362	0.8
89.03791	0.3
95.01295	0.4
96.95869	0.2
99.00813	0.4
101.02353	2.4
105.03368	0.6
113.02360	1.7
117.03387	0.8
119.04956	0.4
123.00774	0.3
123.04470	0.5
125.02353	0.6
132.02103	16.2
133.02916	4.0
134.03671	15.3
135.04233	0.8
137.02399	1.3
139.03944	0.5
148.04025	0.3
149.02380	0.3
149.06035	2.4
150.03212	0.3
151.03975	0.3
152.01042	0.4
160.01613	82.0
161.02013	4.1
161.04462	0.3
166.05095	0.7
175.03970	93.9
176.04311	5.2
177.01894	0.8
177.05580	0.5
178.02690	1.0
179.03465	1.5
179.05663	0.3
193.05048	11.6
194.05435	0.5
221.04597	0.4
235.06107	0.3
265.06952	0.3
490.13568	0.3
503.15857	0.7
505.26883	1.4
506.27097	0.4
550.24347	0.9
565.26678	100.0
566.27014	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	565.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.7
59.01261	3.2
60.52812	0.3
61.98727	3.7
63.96134	0.3
66.60999	0.3
69.32791	0.3
70.39738	1.0
70.40115	0.4
71.01274	4.3
73.02837	1.3
78.95792	2.1
83.01285	0.9
84.31439	0.4
85.02840	2.3
87.00742	0.5
89.02325	1.6
93.03341	0.3
93.66014	0.3
96.95910	1.2
96.96908	0.4
101.02348	2.7
102.75967	0.3
105.03357	0.6
107.04926	0.3
108.02066	0.4
109.02891	0.7
113.02369	1.3
115.00666	0.3
117.03346	0.7
121.02856	0.6
123.04411	1.0
125.02364	1.9
126.02675	0.4
132.02101	14.6
133.02919	3.4
134.03679	16.5
135.04503	1.7
137.02394	1.9
139.03987	0.6
149.04913	0.4
149.06001	2.5
150.03217	0.4
152.01053	0.4
152.99544	3.3
153.01857	0.7
153.05501	1.2
160.01613	79.6
161.01984	4.3
161.04474	0.5
164.04861	0.4
171.10284	0.4
175.03969	85.2
176.04309	5.3
177.02028	0.4
177.05479	0.5
178.02739	0.8
179.03479	1.4
193.05038	11.1
200.78563	0.4
253.09389	0.5
254.09650	0.4
288.05774	0.4
327.21857	0.9
328.22296	1.2
329.22372	1.3
330.92896	0.3
373.22357	0.9
479.20847	1.6
503.15530	0.5
505.26630	1.6
550.24420	1.2
565.26678	100.0
566.27087	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	565.1577
Annotation	3,6,7,2',4'-pentamethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
54.74818	0.3
57.03344	0.4
58.00517	0.3
59.01268	39.4
60.01600	0.5
60.99204	1.7
61.98727	0.8
70.31462	0.3
70.66413	0.9
71.01278	5.7
72.99197	0.5
73.02852	1.2
78.16629	0.3
83.01286	0.6
85.02857	2.0
85.36415	0.2
88.98705	13.4
89.02348	7.2
89.02901	0.3
93.10481	0.3
95.01285	0.4
97.02886	0.3
99.00782	0.8
101.02357	3.7
113.02360	2.7
119.03436	2.0
143.03456	0.5
145.75853	0.3
159.03052	0.4
161.04517	2.3
165.01857	1.0
171.13901	0.4
179.05545	1.7
198.03365	0.5
213.05557	0.6
226.02716	1.8
234.91457	0.3
241.05116	0.9
242.02214	4.2
243.02451	0.4
254.02269	3.7
255.02910	0.8
256.03781	1.2
257.04602	5.6
269.04614	4.5
270.01755	3.6
270.04822	0.6
271.02386	0.6
284.03268	1.0
285.04138	6.0
286.04477	0.6
298.01266	1.4
298.04306	0.4
299.02045	0.6
299.05612	1.9
300.06100	0.4
313.03619	47.0
314.04001	5.2
327.05161	1.3
328.05975	26.1
328.43781	0.3
329.06287	3.1
343.08310	100.0
343.28592	3.0
344.08667	9.5
445.07892	0.3
447.09659	0.6
505.33939	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	563.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	4.5
59.01269	54.2
61.17044	1.5
61.98726	19.8
66.78770	1.9
71.01257	5.9
71.55888	2.3
72.99198	1.9
78.95802	4.7
85.02843	2.0
89.02338	2.5
91.97300	1.9
96.95927	4.2
101.02366	3.8
113.02365	4.1
115.71816	1.7
141.12804	3.5
155.77487	1.6
161.04466	2.8
167.03375	2.0
169.12271	3.3
169.22838	1.5
171.10220	2.2
181.40068	1.6
185.15459	26.4
242.72430	1.5
341.27072	100.0
342.27481	9.9
365.26703	3.1
422.63211	1.6
503.32559	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0493
Annotation	UDP-D-glucose
Peak:m/z	Relative Intensity
54.60179	0.9
64.21005	0.9
66.26539	0.8
69.93905	4.9
70.49396	0.9
72.80237	0.9
78.95798	100.0
84.17348	0.9
89.55585	0.8
96.95902	2.0
96.96867	41.5
98.19900	1.3
100.48534	0.9
105.47516	0.8
111.01912	8.4
120.96891	1.9
138.97977	3.6
150.97969	4.8
152.43138	0.8
158.92480	16.3
174.97896	0.9
176.93544	1.5
192.99066	1.3
196.61774	0.9
211.00143	5.4
230.69072	1.1
241.01215	8.4
242.94315	0.9
272.95654	5.3
280.02359	2.9
305.01849	1.7
320.97818	2.7
323.02917	49.3
324.03131	3.0
384.98492	3.2
385.30713	1.0
402.99384	1.1
461.04590	1.0
481.36172	0.9
565.04913	23.0
566.04974	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	563.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.5
57.03345	3.2
58.00471	1.6
59.01271	48.0
61.98711	1.2
69.03333	0.6
70.19090	1.5
70.19482	1.6
71.01275	46.3
72.01628	1.0
72.91064	0.8
72.99197	2.0
73.02844	14.9
75.00768	1.6
78.95784	1.6
83.01285	8.1
84.95010	0.8
85.02852	22.8
87.00767	2.5
89.02342	8.9
91.51699	0.7
95.01295	3.2
96.95924	11.4
96.96890	1.9
97.02843	1.6
97.49320	0.7
98.20501	0.7
98.95515	1.6
99.00789	8.6
101.02354	37.3
109.02858	1.2
111.00782	3.5
112.66816	0.7
113.02362	16.8
114.02690	0.9
119.03404	1.0
121.02864	0.8
123.00819	0.7
125.02383	2.2
129.01881	1.2
131.03444	19.9
137.02390	1.1
143.03418	3.2
146.02380	1.1
149.04536	1.4
159.02943	3.1
161.02492	1.2
161.04506	22.3
177.01932	1.0
179.05643	0.9
191.05600	0.9
205.03607	1.6
209.15524	1.2
293.08942	0.9
331.46597	0.8
357.08044	0.7
371.20840	100.0
372.21152	12.7
415.19705	2.0
451.68372	0.8
503.25119	31.3
504.25525	5.4
563.14667	1.2
563.27515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33384	0.3
55.01752	0.7
57.03345	3.0
58.00476	0.5
59.01265	8.9
60.99183	0.7
61.98717	3.5
68.02436	0.4
68.80988	0.3
69.03338	2.0
71.01275	7.7
71.56029	0.5
72.99200	1.5
73.02840	1.7
74.03839	0.3
75.00756	0.4
78.95800	0.8
81.03349	0.4
83.01279	1.0
83.04906	0.8
84.02046	0.6
85.02850	10.4
85.06493	0.3
87.00761	1.4
88.98710	2.7
89.01817	0.6
89.02336	6.5
93.03343	0.5
95.01281	1.0
95.04924	0.6
96.95899	1.5
97.02856	1.3
97.06498	2.5
99.00771	0.6
101.02352	7.9
108.02116	0.6
109.02863	0.9
111.08012	0.3
113.02366	3.7
119.03430	1.7
119.08556	0.4
121.02847	0.4
123.00831	0.4
123.04442	0.8
123.08137	0.4
125.02380	6.4
125.09637	0.9
127.11211	1.4
131.03459	0.4
132.02061	0.4
134.03650	0.6
137.02388	0.5
137.09639	2.6
143.03445	0.5
149.02428	0.5
149.04555	0.5
151.03964	0.5
151.29024	0.3
152.01102	0.5
153.01920	0.5
153.05531	0.6
155.10724	1.1
155.14378	0.3
159.03006	0.3
160.01611	2.0
161.04503	3.9
161.68863	0.3
163.11082	0.3
165.12781	0.9
167.03381	0.7
167.14366	0.6
171.10231	26.3
172.10568	1.5
173.46809	0.3
173.64258	0.3
175.04007	2.1
177.01923	0.3
177.12808	0.9
179.05586	1.1
183.13908	2.2
185.11795	1.1
191.05568	0.5
193.04988	1.1
193.12202	0.7
197.11801	0.5
201.11346	1.5
203.10739	0.6
209.11835	1.2
211.13396	12.7
211.15427	0.6
212.13707	1.1
221.11865	2.6
225.07860	0.3
229.14496	10.5
229.16788	0.5
230.14818	0.7
239.12849	1.8
247.20689	0.6
253.09343	36.7
254.09709	2.3
255.03131	0.5
255.23402	0.6
283.13693	0.4
284.03372	1.1
291.19635	3.0
292.20032	0.5
309.20792	1.2
310.21237	0.4
327.21851	100.0
328.16150	0.4
328.22180	11.2
345.06174	0.6
345.17020	0.4
371.20703	0.4
503.25021	2.5
563.22797	0.6
563.31500	3.9
564.14935	0.4
564.24536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.1
57.03324	1.9
58.00481	1.8
59.01268	36.9
60.65809	1.0
61.98718	9.5
66.69822	0.9
69.27616	6.6
69.28027	2.6
69.68736	1.0
71.01274	36.8
72.26640	0.9
72.37933	1.0
72.99195	2.8
73.02839	10.6
75.00755	1.8
78.95789	2.1
83.01270	4.2
85.02851	11.8
87.00766	2.9
88.98709	1.8
89.02341	24.2
89.51068	0.9
92.16100	1.0
95.01270	2.8
96.95921	1.8
97.02850	1.4
99.00785	6.3
101.02349	27.5
108.02053	1.5
113.02354	16.8
115.03883	1.2
117.03384	0.9
119.03434	8.3
121.02876	1.5
123.04406	1.7
125.02333	4.0
131.03423	4.1
132.02139	6.8
133.02878	1.4
133.46483	1.0
134.03670	12.5
135.04332	1.2
137.02376	1.4
139.03931	1.1
143.03424	1.3
148.03984	1.4
149.04453	2.9
149.06024	1.3
153.05542	1.9
159.02956	1.3
160.01624	37.4
161.02072	2.8
161.04510	8.7
167.03500	2.1
175.03979	35.9
175.56389	0.9
176.04544	2.3
177.01933	1.6
179.05602	1.7
189.47681	1.0
190.04793	1.0
191.05513	1.2
191.07109	1.2
193.05061	10.3
209.11772	1.3
211.13354	1.5
225.66602	0.9
230.40340	1.0
233.06699	1.3
235.06160	1.9
244.19580	1.2
253.09244	1.9
284.03296	2.2
327.21689	4.3
371.20871	11.0
372.20898	1.1
401.25696	1.2
503.25119	100.0
504.25436	15.9
563.24927	38.1
564.25391	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	563.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.2
57.03329	1.2
58.00478	1.5
59.01266	27.5
61.98719	8.0
69.03349	0.8
70.02829	1.2
70.03242	2.2
71.01273	34.2
71.45216	0.6
72.99194	2.6
73.02837	9.9
75.00765	1.2
78.95793	1.1
81.03348	0.7
83.01273	4.0
85.02840	13.2
87.00781	4.0
88.00312	0.9
89.02342	23.9
89.02902	1.2
95.01323	3.1
96.95914	1.0
97.02846	1.6
97.06513	0.8
98.19884	1.0
99.00792	6.2
99.04424	0.8
101.02351	25.8
109.02883	0.6
111.00780	1.0
113.02364	12.8
115.03912	1.0
118.02914	0.7
119.03410	7.3
123.04453	1.3
125.02399	3.0
131.03394	2.7
133.02893	1.2
134.03627	0.8
135.04475	1.0
137.02411	0.8
139.03893	1.1
143.03445	1.9
145.06313	0.7
146.02327	1.5
147.04405	1.0
149.02444	0.6
149.04416	3.7
152.99503	0.9
153.05484	0.9
159.02931	1.1
160.01617	2.7
161.04514	8.2
169.05040	1.2
171.10277	1.3
175.03914	2.9
179.05644	1.7
189.01855	1.0
190.02599	0.8
191.03485	0.6
191.05612	2.8
193.05098	1.1
195.06561	1.0
205.05141	0.9
211.13477	0.6
233.06693	1.9
255.02879	1.3
255.23152	0.8
266.15671	0.7
284.03281	1.0
293.08792	1.2
294.15073	0.7
327.21811	2.1
329.14148	0.7
338.14066	10.1
339.14255	1.6
356.15030	3.8
371.20825	11.9
372.21262	1.6
401.12540	0.8
455.13446	0.6
503.25122	100.0
504.25461	15.9
536.22522	0.6
563.14038	0.9
563.24500	2.9
564.24792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.2
58.00483	2.3
59.01268	58.6
60.01584	1.1
61.98726	2.2
68.01730	1.2
69.47844	8.8
71.01274	61.0
72.99202	4.7
73.02835	16.2
76.22306	1.0
78.35175	1.0
78.95819	1.4
82.17464	1.2
83.01275	2.8
85.02840	10.2
87.00771	2.4
89.02343	100.0
90.02664	1.6
91.86832	1.1
92.57465	1.0
95.01295	1.9
96.95934	4.9
97.02850	2.1
98.20617	2.0
99.00783	31.1
100.01131	1.6
100.05386	1.3
101.02357	42.9
107.92196	1.1
108.02097	1.6
109.02853	1.2
111.04440	1.4
113.02358	9.3
119.03400	2.6
121.02879	2.0
123.00784	3.9
123.04446	2.7
124.01606	10.7
125.02409	8.0
131.03433	18.2
135.04472	1.4
137.02420	1.9
138.03165	3.6
139.00284	1.4
139.03915	7.5
140.04324	1.3
143.03479	2.6
145.02904	2.3
148.04004	1.8
149.04506	78.4
150.04755	2.2
151.00380	1.5
151.07642	2.5
160.23672	1.2
161.02374	1.8
161.04498	9.5
167.03394	1.4
171.08124	1.7
173.58838	1.1
175.03958	1.2
179.05499	1.7
179.10759	1.5
187.11269	5.2
189.05421	1.6
189.09290	1.4
191.05577	19.8
195.06738	2.0
205.12305	3.3
221.06647	8.5
227.03485	14.9
231.10300	4.8
249.11374	1.8
251.07748	9.8
255.03061	29.7
256.03461	3.4
261.11362	2.7
267.77145	1.3
275.07867	1.5
279.12363	4.3
284.03336	43.8
285.03922	9.8
291.20438	1.3
293.08783	4.1
301.09244	3.2
311.09894	7.2
425.96335	1.3
503.25061	40.6
504.25443	7.5
563.14020	38.4
563.20935	2.9
564.14429	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	563.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05543	0.1
58.70281	0.1
59.01259	0.6
63.02285	0.3
65.00217	0.3
66.74376	0.2
68.31657	0.1
70.90948	0.2
70.91291	0.3
71.14066	0.1
83.01263	0.4
89.02341	0.4
93.03401	0.3
99.00776	0.2
104.69930	0.1
107.01295	1.2
108.23753	0.1
109.02763	0.1
132.02078	1.2
135.00801	0.8
143.04921	0.2
151.00301	1.9
152.01056	0.2
159.04416	0.2
163.00291	0.9
164.01062	0.5
167.04912	0.2
171.04436	0.4
172.05251	0.3
177.01823	0.2
177.18738	0.1
178.99843	0.8
183.04491	0.7
185.02409	0.2
185.06070	0.4
187.03955	0.7
195.04466	0.2
196.05336	0.1
199.03984	0.5
200.04811	0.3
211.03975	1.1
213.01991	0.2
213.05521	0.3
227.03510	27.6
228.03885	2.4
229.05057	1.4
239.03549	0.9
241.05109	0.5
255.03032	61.1
256.03574	7.3
257.04562	1.7
283.02615	1.5
284.03329	100.0
285.03943	19.8
286.04453	1.2
309.04111	0.3
327.05002	0.3
413.08917	1.1
414.09396	0.2
431.09808	0.8
563.14185	88.5
564.14539	15.0
564.23621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21222	0.2
57.03338	10.3
59.01269	1.8
61.98721	3.3
69.03327	0.3
69.41052	1.6
71.01271	1.3
72.99199	0.4
73.02843	0.6
78.16122	0.2
81.03353	1.3
83.01286	2.5
85.02859	0.8
87.00794	0.3
89.02346	0.7
93.03365	0.4
94.67133	0.2
95.01271	0.4
95.04944	0.7
96.95923	0.8
97.02876	2.9
99.00790	0.8
101.02360	0.8
107.04937	0.3
108.02127	0.4
109.02874	0.8
111.04426	0.3
113.02387	0.2
113.06013	0.2
115.03880	0.2
119.04959	1.3
121.02870	1.0
123.04429	0.3
124.01595	0.6
125.02374	100.0
126.02712	3.6
132.02106	1.1
133.02908	0.6
134.03665	2.4
134.04552	0.3
135.04430	0.7
137.02371	0.8
137.06044	2.3
139.03955	3.2
140.01125	0.3
149.02397	7.8
149.06044	0.7
151.00290	0.3
151.03958	0.3
152.01076	0.5
153.01863	0.4
155.03484	0.3
160.01617	5.4
161.02391	1.5
161.04501	0.4
163.03955	1.7
164.01102	0.3
165.05528	0.3
166.98021	0.2
167.03467	2.5
171.10292	0.3
175.03979	6.7
176.04474	0.6
177.01970	0.3
177.05498	0.4
179.03493	1.1
181.05032	3.7
182.05399	0.3
187.04002	0.4
191.03473	0.9
191.05583	1.1
191.07175	0.6
193.05025	1.8
195.06679	0.4
205.05066	0.7
207.02948	0.2
217.05125	0.2
223.06187	0.3
225.04077	5.0
226.04453	0.4
227.03426	0.3
235.06104	0.6
239.05630	1.0
239.09259	1.5
239.48621	0.2
249.04079	2.0
250.99013	0.2
255.03033	1.1
267.05154	0.6
284.03342	1.3
285.03949	0.4
295.08450	1.2
323.07587	0.4
327.21979	0.3
329.14197	0.3
337.09378	2.5
338.09918	0.3
437.96591	0.2
463.12610	6.8
464.12802	0.8
503.25211	0.5
563.14160	22.7
563.24133	0.9
564.14435	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	562.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76440	0.2
60.36445	0.2
61.98731	0.3
71.24547	0.4
75.00725	0.2
78.03828	0.2
78.95797	7.5
79.40267	0.2
83.04919	0.3
85.06486	2.3
94.53840	0.2
114.85918	0.2
140.01109	3.1
152.99550	0.8
165.12767	0.4
174.28584	0.3
181.34415	0.2
196.03816	1.4
199.13318	1.6
214.04866	3.7
229.22083	0.2
237.15921	0.2
261.18634	0.9
279.19717	17.3
280.20035	1.7
285.26160	0.2
303.27097	0.2
329.38132	0.2
330.59189	0.2
347.26013	6.1
348.26242	0.7
357.28510	0.2
363.25522	0.8
365.27039	100.0
366.27402	13.7
366.32172	0.5
446.39352	0.3
487.78198	0.3
562.31616	27.3
563.32050	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	561.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.2
57.03343	2.3
58.04970	0.8
59.01269	53.1
61.98714	9.4
69.03358	1.5
70.64764	2.2
71.01274	39.2
72.01617	0.9
72.99198	4.4
73.02848	17.3
75.00770	2.9
78.95792	1.3
83.01289	12.7
85.02847	21.8
85.99996	1.4
87.00774	1.9
89.02347	6.5
95.01299	3.0
96.95924	2.0
97.02857	1.9
97.42555	1.1
99.00794	6.3
101.02351	39.9
102.02644	0.8
103.03910	2.5
112.01556	0.8
113.02368	17.1
116.67170	0.8
119.03406	0.9
123.04438	1.3
125.02354	2.2
129.01868	1.3
143.03459	2.4
145.04956	1.1
153.05466	0.8
159.02980	3.1
161.01173	1.3
161.04500	12.8
163.06062	3.8
167.03433	1.4
171.10231	6.6
190.32280	0.7
209.11810	5.1
229.07088	0.9
247.08267	1.0
253.09366	1.6
289.17783	1.1
306.17880	1.0
307.18985	4.4
315.45737	1.0
325.19748	1.5
355.21368	42.1
356.21793	4.1
399.20276	1.2
501.27103	100.0
502.27362	16.9
543.28430	1.3
544.28503	0.9
545.25641	1.2
561.29443	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10556	0.6
55.01768	1.0
57.03334	3.4
58.00471	1.6
59.01265	19.8
61.98710	6.2
69.03367	1.4
69.41772	5.5
71.01270	21.5
71.04914	1.9
72.99191	3.4
73.02835	5.6
73.92301	0.7
80.02561	1.9
81.03336	1.1
83.01276	1.9
83.04493	0.9
83.04919	5.6
84.02035	1.0
84.94992	1.9
85.00323	0.6
85.02844	7.7
86.02361	1.6
87.00771	3.1
89.02339	15.8
91.03898	0.7
95.01289	2.9
95.04922	3.0
96.95914	2.4
97.02844	2.1
97.06498	2.2
99.00758	1.5
99.04411	2.1
101.02346	19.1
108.02067	1.3
109.02876	1.2
109.06507	3.3
112.05199	2.6
113.02357	10.5
113.05972	1.1
115.07568	2.1
117.03411	1.4
119.03430	4.2
119.04916	2.7
121.02866	1.7
123.00837	1.1
123.04429	2.7
123.08072	1.5
123.99864	0.7
125.02372	2.5
125.05949	1.3
125.09651	5.3
127.07570	4.9
127.11125	0.9
131.03448	1.0
132.02084	6.9
133.02881	1.3
134.03674	8.8
135.04390	1.2
135.08081	3.4
137.02356	1.0
137.09647	2.9
139.03922	1.0
139.07587	1.4
143.03488	1.5
145.02863	3.4
148.03996	1.1
148.06741	0.7
149.06026	2.0
151.00316	0.7
152.99402	0.6
153.05473	1.4
153.09157	25.8
154.09512	1.6
155.10699	3.4
160.01608	38.8
161.02039	2.3
161.04515	7.4
161.05898	1.1
162.04773	0.8
163.03951	2.1
163.11203	5.8
165.09132	1.2
165.12794	2.6
167.03474	1.3
169.12247	0.7
171.10229	43.0
172.10542	1.9
173.06003	0.8
175.03969	38.7
176.04453	1.3
178.09975	3.5
179.05556	2.3
179.10612	0.7
181.12263	1.4
185.11819	7.9
185.59001	0.7
187.11214	0.9
191.07129	1.3
191.10725	2.7
191.14378	2.7
193.05032	12.2
193.12263	0.9
195.13887	1.0
197.11821	11.8
198.12155	0.8
205.12279	2.5
207.10240	1.9
209.11827	65.5
210.12212	3.9
211.13446	4.1
219.06622	1.4
219.13995	0.9
223.13431	2.7
225.11374	0.7
225.15063	0.7
227.03497	2.7
227.12862	1.4
235.06146	6.5
235.08180	1.1
235.20665	0.7
236.10576	0.7
237.11165	0.7
237.14957	2.0
238.12085	2.9
245.19145	6.5
253.09337	45.5
254.09602	2.5
255.03023	18.0
256.03540	1.7
263.20221	1.2
265.07172	2.4
271.02628	0.7
278.21982	0.7
279.19769	2.1
281.21094	0.8
283.02560	28.3
284.03217	9.4
289.18170	21.1
290.18542	2.3
295.08206	3.5
297.20792	2.0
299.05679	27.6
300.05984	2.2
307.19229	100.0
308.19577	9.9
325.20279	63.5
326.20627	5.0
335.12521	1.0
337.09399	8.9
341.06329	0.8
399.23914	1.4
401.78558	0.8
406.22620	0.7
407.19293	2.3
474.21252	3.3
501.23953	0.7
503.12170	1.1
543.28302	28.9
544.28839	4.2
546.13818	2.5
561.15924	5.9
561.23102	13.4
561.29437	37.3
562.16302	1.6
562.30713	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	561.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.2
57.03331	0.9
58.00488	0.7
59.01264	13.8
61.98711	1.4
69.03339	0.6
70.96095	0.7
70.96444	0.5
71.01272	11.3
71.04926	1.8
72.99201	0.8
73.02834	2.9
76.13730	0.3
79.05453	0.4
80.02566	1.1
81.03349	1.4
81.65192	0.3
83.01299	1.3
83.04924	5.4
84.02058	1.4
85.02846	3.5
87.00773	1.6
89.02335	9.9
91.03940	0.4
95.01285	1.6
95.04932	1.6
97.02850	1.0
97.06497	2.2
99.00815	0.5
99.04443	2.3
99.08069	1.1
101.02352	11.4
102.02737	0.5
107.04935	0.4
108.02138	0.4
109.02842	0.7
109.06499	1.5
110.03613	0.4
111.00749	0.4
111.08074	0.8
112.05199	1.5
113.02359	5.7
115.07557	2.1
119.03402	2.5
120.57148	0.3
121.02873	0.7
123.04443	1.1
123.08101	0.7
124.01581	0.3
124.05209	0.3
125.02351	1.0
125.06024	0.7
125.09651	6.3
126.09964	0.4
127.07571	5.2
127.11221	0.9
131.03384	0.3
133.04845	0.3
134.03720	0.4
135.04443	0.3
135.08087	3.9
137.02393	0.7
137.09653	0.7
138.06876	0.5
139.03949	0.4
139.07588	1.4
141.09155	1.0
143.03416	0.8
153.09155	28.7
154.09520	1.0
155.10733	2.0
160.01567	0.8
161.02455	0.4
161.04512	3.9
163.11246	4.1
165.12825	2.8
171.10226	38.9
172.10535	1.8
175.03972	1.3
178.02649	0.4
178.09952	3.9
179.05606	1.1
179.10712	0.7
181.12306	1.2
183.13885	0.6
185.11800	7.5
186.12119	0.7
191.10738	2.3
191.14400	1.2
193.05080	0.7
193.12413	0.4
197.11829	9.8
198.12204	0.7
207.10292	0.9
209.11826	70.7
210.12193	5.2
211.13438	1.9
219.13957	0.6
227.12888	1.1
235.08261	0.9
235.13461	0.6
235.20685	0.6
236.10635	1.5
237.11229	0.4
237.15050	0.4
238.12106	2.3
239.12537	0.4
239.16565	0.8
245.19101	3.2
246.19453	0.4
253.09329	32.4
254.09676	2.0
256.13147	0.7
263.20248	1.3
265.18005	0.6
271.17102	0.7
279.19568	1.6
281.21176	0.9
289.18149	13.4
290.18582	1.2
297.20837	2.2
298.21109	0.4
307.19223	100.0
308.19540	10.3
325.20270	54.3
326.20605	5.9
381.22894	0.4
399.23849	0.6
407.19244	1.1
474.21225	4.6
475.21439	0.5
477.44992	0.3
501.23514	0.6
543.28241	30.7
544.28497	4.6
561.29327	15.4
562.30011	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	561.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46019	1.0
55.01774	2.1
57.03318	1.6
58.00451	1.0
59.01268	29.3
61.98708	1.8
69.03380	1.5
69.23949	5.4
69.24380	3.9
71.01275	42.3
71.01669	2.2
72.01581	0.9
72.99214	2.2
73.02839	15.5
75.00748	2.2
78.95775	2.8
81.03343	1.4
82.95335	1.5
83.01284	4.2
85.02853	13.3
87.00777	3.2
89.02342	36.8
95.01288	2.4
96.95924	11.8
96.96885	1.8
97.02841	2.8
98.20576	2.2
99.00790	19.0
101.02353	29.3
102.02699	1.4
109.02871	1.4
111.00809	1.3
113.02367	13.7
115.03928	1.7
119.03426	3.5
125.02364	5.2
131.03401	6.3
137.02406	1.6
143.03438	1.7
143.04555	1.3
149.04500	22.0
153.01785	1.1
159.02902	1.0
161.02365	1.9
161.04520	8.3
163.04128	1.1
175.02328	1.0
179.03426	0.9
191.05606	8.5
233.06787	1.5
247.01878	0.8
251.07776	2.2
293.08752	2.2
308.07175	1.2
323.07785	1.6
337.09387	1.3
345.06055	1.1
369.19269	8.2
501.23578	100.0
502.23950	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	561.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
57.03326	1.7
58.00473	1.1
59.01266	32.3
61.98724	1.6
69.03346	1.3
69.42583	4.8
71.01272	40.9
72.01624	0.6
72.99213	2.4
73.02832	14.9
75.00749	1.4
75.95753	0.5
78.95786	1.6
80.85874	0.5
83.01285	4.5
85.02850	13.5
87.00768	2.5
89.02339	36.3
95.01295	2.7
96.95920	10.7
96.96864	2.1
96.97421	0.5
97.02852	2.4
98.20613	0.9
99.00166	1.0
99.00783	15.8
101.02352	32.2
102.02731	0.5
109.02889	0.7
111.00798	1.2
113.02360	12.1
115.03933	1.3
119.03432	4.1
123.00719	0.6
125.02362	4.5
131.03430	6.7
133.02884	0.8
135.04471	0.9
143.03418	1.3
145.02882	1.3
149.04503	18.3
150.04858	0.8
153.01860	0.5
159.02908	1.8
161.02377	2.3
161.04488	7.1
177.01854	0.6
179.03467	0.8
179.05380	0.5
191.05603	7.9
207.13875	0.9
221.06616	0.6
233.06732	1.2
237.07819	0.8
251.07747	1.6
293.08865	2.1
299.02203	0.7
323.07751	1.4
337.09351	0.8
369.19266	9.5
370.19635	0.9
379.22864	0.5
457.83325	0.6
501.23541	100.0
502.23944	14.7
561.15887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.1
57.03336	2.8
58.00478	1.8
59.01268	38.7
61.07341	0.8
61.98733	2.4
64.03463	0.8
69.03352	1.4
69.56362	1.5
69.56776	4.5
71.01274	49.2
72.01613	1.2
72.99211	3.1
73.02837	15.0
75.00792	1.5
78.95790	1.8
79.95653	1.0
83.01289	4.8
83.04969	1.0
85.02852	17.6
87.00777	4.0
89.02345	42.4
94.09927	0.8
95.01306	2.4
96.95914	13.3
96.96874	3.2
97.02872	1.8
98.20496	1.0
99.00780	15.7
100.01174	0.8
101.02357	38.2
109.02846	1.2
111.00763	1.5
113.02374	14.2
115.03948	1.4
119.03448	4.3
119.04998	0.8
125.02416	5.8
131.03448	8.7
143.03435	2.6
145.02902	1.6
149.04524	20.9
159.02876	1.3
161.02396	3.1
161.04514	8.9
191.05586	6.3
191.90250	1.0
193.05109	0.9
221.06610	1.1
223.06189	1.2
233.06721	1.1
251.07776	2.5
293.08740	2.5
299.01971	0.9
323.07803	1.1
330.03918	1.3
369.19370	12.5
370.19565	1.5
501.23560	100.0
502.24002	15.7
561.16199	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	561.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.2
55.36695	1.1
57.03340	6.9
58.00485	2.5
59.01268	41.7
61.98714	9.0
69.03339	3.9
71.01278	29.1
71.04916	1.0
71.39412	2.3
71.39743	1.3
72.99213	3.4
73.02827	5.6
78.95802	1.8
80.02596	1.4
81.03357	6.2
83.01285	12.2
83.04910	5.0
85.02853	8.7
87.00767	3.2
88.98708	4.4
89.02347	22.9
95.01283	3.1
95.04927	2.7
96.95915	3.8
97.02845	5.7
97.06495	14.5
99.00801	2.5
101.02350	25.0
102.02733	1.2
109.06519	3.6
111.04433	1.6
113.02374	11.8
119.03411	6.2
121.06466	1.9
121.10126	1.2
123.04453	5.5
123.08077	5.3
125.02333	1.6
125.06004	1.5
125.09648	24.5
131.03430	2.0
135.08081	2.4
137.06000	1.8
137.09654	9.2
141.12759	1.8
143.03456	2.3
149.05940	1.5
149.09698	1.2
152.99536	1.9
161.04526	9.9
161.09653	1.3
162.10474	1.6
163.07527	1.6
163.11247	17.5
165.12766	6.1
167.10744	8.8
171.10239	5.2
179.05585	3.8
181.12291	2.6
183.18402	1.2
185.11813	24.2
186.12090	2.0
191.10748	3.4
191.14400	18.9
192.14847	2.8
193.12367	1.4
207.10214	10.4
209.11832	58.6
210.12154	4.5
211.13426	3.3
217.15900	2.5
225.11319	9.1
226.12051	1.7
227.12971	11.7
237.11272	6.5
243.17761	1.5
245.19151	47.3
246.19519	2.8
253.09361	40.1
254.09674	1.4
263.20255	6.7
271.17093	4.8
279.19684	2.0
281.21313	2.5
289.18185	100.0
290.18552	11.7
307.19241	61.7
308.19540	7.0
325.20172	2.9
339.25443	3.9
518.26953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45612	0.8
56.28707	0.8
57.03343	5.7
61.42387	0.8
69.03311	1.0
69.41039	8.1
72.22808	0.9
72.38355	0.8
81.03362	2.4
83.01276	4.5
93.03391	1.6
95.01303	1.0
95.04941	3.4
96.95911	2.8
97.02870	1.8
98.20538	1.6
99.04429	1.2
109.02869	2.5
113.05984	1.8
117.25851	0.9
121.02851	1.8
123.00780	1.4
125.02378	30.7
126.02781	0.9
131.04974	1.4
132.13187	1.0
135.04456	1.2
137.02376	25.5
139.03981	1.6
145.02936	0.9
147.04489	0.8
149.02423	1.0
155.04933	2.1
159.04460	5.2
161.02431	1.8
161.06029	1.2
163.00272	1.4
163.03981	2.9
164.01132	3.3
165.01854	9.2
166.02588	1.3
167.03455	30.7
168.03741	1.5
174.03000	0.8
175.03973	4.9
177.01865	2.1
177.05612	1.2
179.03467	1.9
181.05103	4.9
183.04491	2.5
187.03987	24.4
188.04388	1.7
189.01840	4.7
189.05557	2.9
190.02727	4.5
191.03433	3.4
195.85837	0.9
197.05954	0.9
199.03995	4.2
203.03488	49.9
204.04147	7.3
205.01591	0.8
205.05081	5.6
206.02112	1.9
207.02942	1.2
215.03497	25.4
216.00514	1.0
216.03902	2.0
217.01427	4.6
217.05014	1.5
218.02151	3.7
219.02962	2.7
225.05542	1.3
226.02617	1.0
227.01331	2.0
227.03506	24.3
228.03867	1.8
229.05054	1.3
231.03008	100.0
232.03693	19.3
233.04567	48.1
233.06956	2.0
234.04959	3.8
243.03040	5.7
244.00511	0.9
244.03725	3.2
245.04579	2.2
249.05719	1.0
253.05052	1.6
255.03033	36.0
256.03516	3.7
259.02542	3.1
260.03250	5.3
261.04102	19.4
262.04373	1.9
267.06705	2.4
269.04590	1.7
270.05377	1.3
271.06180	1.4
272.03363	2.9
273.04059	4.5
274.04376	0.9
277.05182	1.2
284.60342	0.9
285.07855	1.2
291.06662	1.3
293.04617	2.7
294.05374	2.2
295.06177	17.2
296.06757	1.4
307.06363	0.8
311.05713	1.3
312.06439	2.7
313.07291	3.6
315.04996	1.3
319.06299	1.7
321.04092	0.9
335.05637	4.5
336.06213	1.7
337.07196	8.4
353.06818	2.1
355.08252	4.5
363.05215	8.8
364.05722	1.5
371.07977	1.1
380.05316	0.9
381.06244	55.1
382.06653	5.0
399.07291	61.2
400.07529	8.0
423.09326	6.0
435.09564	1.9
476.62122	1.1
543.11627	3.1
550.80829	1.0
561.12628	30.6
561.20825	2.3
562.12781	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	561.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12436	0.7
57.03338	6.6
59.01265	6.6
61.22709	1.0
61.98727	1.9
69.03345	1.2
71.01286	3.1
71.56015	0.6
73.02849	1.3
78.95804	4.8
79.95618	1.9
81.03360	1.8
83.01286	4.0
85.02884	0.8
87.00774	0.8
89.02358	2.8
90.84468	0.7
93.03365	3.3
95.04937	3.3
96.95920	67.3
96.96839	9.5
97.02860	3.0
98.02396	1.6
99.04445	2.0
101.02381	1.3
109.02878	3.2
111.00806	1.7
113.05981	1.4
119.04855	0.7
121.02856	1.4
123.00810	2.1
123.04449	1.7
125.02371	34.4
126.02695	1.7
131.04912	1.4
133.02899	1.7
135.04430	1.9
137.02385	32.3
138.02808	1.3
139.03929	2.8
143.04936	1.1
147.04485	1.3
149.02417	1.0
149.04532	0.8
151.00288	1.4
151.03903	1.1
152.01134	0.9
153.05510	2.5
155.04950	1.3
159.04440	5.9
161.02393	4.3
163.00322	0.9
163.03976	2.6
164.01129	3.2
165.01888	13.6
166.02519	1.1
167.03461	29.5
171.04468	1.2
173.02359	1.1
174.03210	1.4
175.03978	7.2
177.01857	2.1
177.05571	1.2
179.03479	2.9
181.05070	6.6
183.04472	2.2
187.03992	30.7
188.04407	2.3
189.01936	2.9
189.05527	2.0
190.02652	4.9
191.03471	4.6
191.05557	2.6
193.01556	0.8
195.03030	1.5
199.03996	4.3
203.03496	46.8
204.04158	6.9
205.01381	2.6
205.05049	7.2
206.02193	2.2
211.03990	1.4
215.03514	29.1
216.00557	1.0
216.03963	2.7
217.01422	5.7
217.05014	2.1
218.02226	3.3
219.02966	2.7
223.74033	0.8
225.05612	1.4
226.02690	1.2
227.03514	24.8
227.07031	1.1
228.03941	1.6
229.05138	1.1
231.03020	100.0
232.03680	21.6
233.04575	53.2
234.04901	3.1
241.04985	0.8
242.02168	0.8
243.03011	6.2
244.03732	2.7
244.82117	0.8
245.04608	2.0
253.05147	1.5
254.02299	1.0
255.03029	41.0
256.03543	4.3
259.02573	4.0
260.03265	4.5
261.04102	22.1
262.04422	1.5
265.05170	1.3
266.05972	0.9
267.06656	2.4
269.04633	2.2
270.05316	1.0
271.06131	1.9
272.03369	4.1
273.04047	4.3
277.05212	0.9
279.03073	0.9
285.07608	1.0
291.06680	1.5
293.04611	2.2
294.05295	1.4
295.02689	1.0
295.06134	17.6
296.06619	1.2
297.04065	1.9
306.07770	1.2
309.07739	2.2
311.05655	1.4
312.06430	1.6
313.07275	4.4
315.05011	1.3
319.06021	1.6
327.08798	0.8
335.05734	4.2
336.06247	2.0
337.07300	10.4
338.07547	1.6
353.06726	1.8
354.07425	1.4
355.08469	5.6
362.04321	0.8
363.05222	9.4
364.05579	1.2
371.07709	1.6
380.05490	1.8
381.06265	61.2
382.06644	8.3
395.09506	1.0
398.06763	1.5
399.07306	72.2
400.07678	10.8
423.09393	7.3
435.09518	1.9
463.12979	1.9
543.11578	2.5
561.12561	39.0
562.13068	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	557.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33592	1.3
59.01271	8.6
61.98720	5.2
62.64826	1.3
69.52435	11.2
71.01266	5.8
81.50202	1.3
82.95299	2.2
83.02384	2.2
84.01943	2.2
85.02847	1.5
89.02343	3.6
98.19698	1.7
101.02363	4.6
103.26350	1.2
109.02837	3.0
119.03418	1.4
125.02374	6.0
126.83922	1.2
126.99490	2.0
138.03210	1.3
177.02043	1.7
189.01900	1.5
191.03484	1.9
209.11835	1.3
219.06621	5.0
221.04755	1.2
230.02237	3.5
242.02193	2.1
258.01712	1.7
269.01031	1.8
269.99274	1.2
270.01624	6.2
274.01346	2.8
285.04163	3.5
286.01312	4.8
291.53958	1.3
298.01138	1.9
299.02048	2.9
301.03552	10.1
311.05612	1.4
314.00583	1.5
317.14001	5.4
329.03107	78.6
330.03409	10.9
344.05435	55.5
345.05881	10.2
350.26340	1.3
359.07809	100.0
359.27997	2.3
360.08194	10.0
395.17355	2.2
395.24393	1.3
521.01453	1.6
521.13135	42.4
521.33405	37.2
522.13586	7.8
522.34125	5.1
557.31140	92.5
558.31494	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	559.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20150	0.4
51.35926	0.4
57.03340	0.5
59.01260	0.8
59.32309	0.4
63.96115	0.6
64.30560	0.4
65.87933	0.4
67.27357	0.4
70.05885	0.3
71.01275	4.4
71.62260	0.9
73.02834	0.9
78.98474	3.3
79.95628	5.4
80.96413	37.6
81.03365	0.6
85.02844	2.0
87.00771	1.7
94.97981	9.6
96.95916	1.5
97.02876	1.0
99.00776	0.5
101.02328	2.0
106.97996	1.6
113.02339	0.8
122.97494	3.1
125.02369	2.4
134.97508	3.1
136.99055	1.0
148.99101	4.2
152.98595	5.2
164.98593	8.4
165.12843	0.4
167.00208	0.5
182.99666	1.9
188.98653	0.5
206.99678	2.9
209.11870	2.4
225.00754	18.1
226.00975	0.6
243.01793	1.6
299.04489	2.8
314.74576	0.4
321.72714	0.4
397.05499	0.6
402.04318	0.4
408.94897	0.4
527.18182	2.2
528.18964	0.4
552.36102	0.4
559.20795	100.0
560.21118	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	559.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83175	0.8
57.03346	1.2
59.01265	15.7
61.98719	4.1
62.25470	0.7
62.72597	0.7
64.63089	0.7
66.27307	0.6
68.39902	0.6
69.03347	1.6
71.01270	10.6
71.52495	0.8
72.99201	1.2
73.02832	2.6
80.02569	1.7
81.03347	2.1
83.01276	1.9
83.04925	5.8
84.02081	0.9
84.46042	0.6
85.02850	2.7
86.34167	0.6
87.00771	2.0
89.02335	8.9
89.02837	0.9
95.01266	1.1
95.04935	1.4
96.95921	1.9
97.02869	1.6
97.06476	1.7
99.00729	1.2
101.02354	10.1
107.04942	7.5
108.02073	0.7
109.02842	1.7
109.06503	2.8
110.03625	1.0
113.02385	4.9
113.05995	0.8
119.03412	3.0
121.02894	1.7
123.00788	1.1
123.08096	1.7
125.02367	3.9
125.06026	2.8
125.09649	8.0
129.01730	0.8
135.04420	0.8
135.08118	3.5
137.02405	1.3
143.03445	0.8
147.04483	0.8
151.07628	1.2
151.11298	0.8
153.01857	1.6
153.09161	9.9
154.02679	1.6
161.04573	3.6
163.11247	6.8
165.12811	3.4
176.08395	3.0
177.09006	0.8
178.09917	3.2
179.05672	1.5
181.12320	2.4
182.56648	0.9
185.11809	1.9
187.09668	0.8
191.10808	3.7
192.11279	0.7
196.01012	0.8
197.11842	18.5
198.12195	1.1
207.10292	7.8
209.11833	100.0
210.12138	7.7
217.12276	1.7
225.11298	4.3
235.08224	0.9
236.07127	1.1
236.10580	2.0
243.17577	2.0
245.15460	1.6
253.09303	24.4
254.09666	1.6
261.18640	5.0
263.16531	1.0
269.15601	2.2
277.18188	2.4
279.19705	2.4
287.16531	11.6
288.17020	1.3
299.02200	1.1
305.17670	92.5
306.17993	9.1
323.18713	22.3
323.22586	0.8
324.18997	2.4
337.14499	0.8
381.22504	0.9
382.23813	3.8
397.26056	3.4
412.51761	0.8
445.20886	1.2
461.20618	4.4
541.26721	57.7
542.27014	11.7
559.14673	1.5
559.27795	16.5
560.28186	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	557.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56016	0.8
53.92406	0.8
59.01258	3.8
61.98718	9.5
71.01263	2.8
71.62476	1.6
83.22475	0.9
89.02331	1.1
93.03348	5.6
96.95897	2.2
108.02054	2.4
109.02866	5.6
115.38963	0.9
119.04968	1.5
121.02876	22.6
122.03674	16.8
123.04405	4.1
124.01571	3.3
125.02371	1.6
129.03413	2.7
132.02103	4.1
133.02885	16.4
134.03674	10.5
135.04465	4.8
136.01601	2.1
137.02386	4.3
139.03893	1.3
145.02905	8.4
146.03633	3.4
147.04457	11.0
148.05244	0.9
149.02393	31.4
149.06015	13.0
150.03175	71.5
151.03809	2.2
154.02649	2.6
160.05196	1.1
161.02412	2.4
161.06046	4.0
162.03136	4.0
163.03894	1.3
164.04762	8.7
165.05536	84.4
166.05846	4.3
167.03485	1.3
175.07555	1.1
177.05533	3.9
178.06183	1.6
179.05742	0.9
179.07121	12.4
180.04196	3.7
195.06624	27.5
196.06938	1.3
200.65953	0.9
210.03339	0.8
238.57443	0.9
283.09879	1.3
297.11545	1.1
299.13205	1.2
307.89969	1.2
313.10876	1.9
313.14227	1.1
315.12518	1.7
317.14221	2.2
329.14001	3.5
346.14185	6.6
347.15045	12.1
361.16641	56.7
362.17075	5.7
415.17731	7.9
416.17786	1.8
509.21936	100.0
510.22232	19.4
521.21948	8.5
539.23102	8.5
540.23438	2.0
557.24109	11.4
557.31372	2.1
558.24286	2.5
583.94598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35917	0.4
59.01263	1.0
61.98685	0.5
70.68926	0.6
70.69281	0.9
71.01277	1.0
72.99200	0.6
83.01265	0.8
87.15459	0.4
88.98689	0.9
89.02345	0.5
95.01284	1.7
96.95903	2.5
104.85564	0.4
106.35529	0.4
108.02110	1.3
109.02872	0.4
111.00800	4.1
123.00826	2.0
124.01588	3.2
125.48739	0.4
139.00327	0.9
146.02319	0.4
151.00294	0.4
152.01106	10.6
152.02347	0.6
153.01653	0.4
166.36797	0.4
167.03453	100.0
168.03792	5.0
193.05064	0.4
236.19969	0.4
268.93219	0.4
357.75388	0.4
383.29367	0.4
521.20404	0.6
557.34546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	2.5
59.01259	16.3
61.98719	91.2
71.01280	10.1
71.62617	3.1
72.99208	2.3
73.02837	3.2
78.95798	4.3
83.01262	2.2
85.02835	4.7
89.02339	6.1
93.03371	2.9
93.58477	1.8
96.28442	2.0
96.95922	5.7
101.02338	6.2
108.02077	1.9
109.02885	5.0
113.02358	4.6
122.03674	2.4
123.00766	2.9
123.04452	6.3
125.02348	8.1
134.03659	2.9
135.04404	2.3
137.02380	6.4
138.03206	2.4
146.03638	8.0
147.03192	2.5
149.02370	6.0
150.03180	14.1
151.03821	3.3
153.01855	3.7
153.05507	8.6
154.05865	2.2
155.05891	1.7
161.04451	1.9
162.01950	6.7
162.97916	2.0
164.04755	6.0
164.75554	1.9
165.01962	2.5
165.04146	1.6
165.05473	13.0
175.04054	1.9
177.05585	1.9
179.05644	2.0
179.07126	10.5
195.06586	6.9
196.70406	1.8
209.11958	2.1
291.24670	1.8
295.06207	3.6
314.07956	1.9
339.14459	2.3
341.10220	4.1
345.13617	12.2
346.13852	2.3
357.15533	3.4
357.26599	7.0
375.14542	11.8
519.31885	78.2
520.32141	12.9
537.22095	4.7
555.21356	3.9
555.29578	100.0
556.21765	2.8
556.29907	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	555.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58079	1.9
59.01266	15.2
61.98422	3.6
61.98722	54.7
70.37421	4.7
70.37813	4.3
71.01266	10.0
75.00763	3.1
78.95786	7.9
85.02834	3.9
87.00758	2.6
89.02326	6.7
93.03368	2.8
95.04884	2.3
101.02354	6.6
109.02872	4.8
121.02858	4.4
123.04428	7.8
125.02370	13.2
133.04970	2.4
134.03685	5.4
135.04456	4.2
137.02385	8.9
138.03130	6.1
139.03929	4.8
146.02504	2.7
146.03636	11.7
147.03157	3.9
149.05954	3.2
150.03145	4.0
151.03970	3.2
153.05502	5.1
161.05994	4.4
162.01888	6.0
163.02303	2.2
164.04716	8.6
165.05537	4.3
167.03441	2.8
177.05544	4.8
179.05717	3.1
179.07074	16.2
338.14447	3.5
339.14294	6.1
345.13544	14.7
357.26450	6.7
375.14532	13.1
376.15152	2.4
393.23230	3.5
519.31836	70.0
520.32092	12.7
537.21387	4.4
555.20868	7.0
555.29443	100.0
556.30054	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	555.2858
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.09372	0.2
56.16193	0.2
59.01264	0.8
63.96130	1.1
69.03356	0.7
71.01267	6.4
71.39915	0.7
73.02830	1.6
74.43630	0.3
78.98483	5.8
79.95627	8.3
80.96413	60.0
81.03345	0.8
83.01281	0.3
85.02837	2.5
87.00774	2.5
94.97987	13.4
95.01267	0.4
96.95918	1.1
97.02883	1.6
98.95937	0.3
99.00818	0.5
101.02351	3.0
106.97997	3.0
118.64702	0.3
122.97504	4.8
125.02375	3.8
127.03924	1.0
134.97495	3.8
136.99075	1.6
143.03456	0.4
146.97519	0.5
148.99092	5.4
152.98582	7.4
155.00191	0.4
164.98590	12.4
167.00108	0.7
182.99652	2.7
188.98647	0.5
200.84633	0.3
206.99683	3.8
225.00749	22.0
226.01068	0.7
243.01773	1.9
255.23383	3.4
299.04541	3.4
555.28558	100.0
556.28894	17.0
556.37738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88958	0.2
57.03329	0.3
59.01251	0.8
63.96130	1.3
67.18729	0.2
69.03333	0.7
71.01273	6.3
71.07944	0.5
72.99214	0.4
73.02845	1.8
78.98480	5.1
79.95621	8.9
80.96410	60.5
81.03338	0.4
83.01302	0.3
85.02838	2.2
87.00768	2.2
94.97986	14.5
95.01328	0.3
96.95894	0.6
97.02848	1.2
99.00796	0.3
100.11578	0.2
101.02344	2.6
106.97992	2.3
113.02346	0.4
122.97502	4.9
125.02370	2.9
127.03931	1.0
129.04881	0.3
134.97520	4.1
136.99055	1.3
137.85385	0.3
148.99081	5.4
149.00256	0.3
152.97412	0.4
152.98586	6.8
155.37715	0.3
164.98590	10.9
167.00124	0.5
182.99655	2.9
206.99695	2.9
225.00746	18.8
226.01015	0.6
243.01823	1.6
255.23276	2.9
260.53094	0.3
299.04495	3.3
379.17603	0.3
392.48306	0.3
506.32724	0.3
555.28552	100.0
556.28870	17.2
556.37720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79316	0.8
57.03320	1.1
59.01265	12.3
61.98717	8.6
70.56637	2.8
71.01271	9.1
72.80959	0.7
72.99203	2.0
73.02836	3.1
75.00770	1.1
75.63041	0.7
80.02571	1.0
81.03351	1.1
82.93630	0.8
83.04918	2.2
84.02071	1.2
85.02843	2.4
88.98681	0.8
89.02335	7.3
91.00262	1.7
93.03361	2.5
96.95918	4.3
101.02357	6.9
101.05994	1.0
108.02062	3.6
109.02869	11.4
113.02358	3.3
119.03416	2.1
119.04990	0.8
121.02887	5.0
121.90767	1.0
122.03654	8.9
123.00816	1.6
123.04456	5.3
124.01534	0.8
125.02377	2.9
125.05991	1.0
131.03456	0.8
132.02098	0.9
133.02870	6.7
134.03662	1.7
135.04456	5.2
137.02348	2.4
147.04437	1.6
149.02390	23.4
149.06036	1.4
150.03174	82.0
151.00418	1.0
151.03978	11.4
153.01869	1.3
159.04448	3.2
161.04512	2.3
161.05916	0.9
163.04019	1.8
163.11258	1.9
164.04744	4.9
165.05525	60.0
165.12776	1.4
166.05951	3.6
167.03444	1.7
171.02991	0.7
173.05994	4.1
177.02014	1.1
179.05568	2.1
179.06996	0.7
180.04234	3.0
181.05031	8.8
182.05304	0.9
189.05586	2.1
191.07028	1.3
195.06616	36.8
196.06990	2.1
203.07091	2.6
209.11826	78.1
210.12227	5.0
227.12878	10.2
228.13310	0.9
240.04311	1.4
241.05156	5.2
253.09349	13.6
254.09770	1.2
255.06642	2.0
267.06708	2.1
269.08124	2.2
279.06696	1.1
281.08255	1.2
283.09958	1.0
295.09653	1.9
297.07837	4.5
297.10626	0.8
298.08377	1.5
299.09302	4.2
300.09857	0.9
311.09396	1.5
313.10873	7.2
327.12701	1.2
328.09702	0.9
329.10385	3.4
330.11169	1.3
331.25189	1.6
343.12149	1.8
344.12650	12.6
345.13318	3.4
358.14014	1.6
359.15103	32.4
360.15399	3.8
393.28619	3.2
401.15887	1.5
407.81415	0.8
417.13477	0.9
422.19058	1.2
443.15131	1.0
445.21057	1.8
447.14542	1.7
461.16196	7.1
462.16794	1.2
477.15704	3.1
492.17676	1.8
495.24893	0.8
495.31824	1.0
507.20352	100.0
508.20651	20.1
555.10394	1.2
555.22559	15.9
555.33899	19.7
556.22321	3.2
556.34186	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	555.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.6
59.01266	7.6
61.98716	4.6
71.01277	6.5
71.56114	0.7
72.99194	1.6
73.02834	1.2
83.01321	0.7
83.04912	2.1
85.02838	1.9
89.02339	5.7
91.44918	0.6
93.03351	2.5
95.01299	0.7
95.04901	0.6
96.95919	3.5
101.02340	4.5
107.01267	0.7
108.02097	2.9
109.02874	8.9
113.02367	2.2
119.03407	1.6
119.04857	0.9
121.02872	5.3
122.03665	8.0
123.00804	0.8
123.04466	4.6
125.02312	1.2
132.02077	1.2
133.02899	5.4
134.03667	1.4
135.04504	3.3
137.02383	1.5
139.03954	1.0
146.03673	0.9
147.04425	1.3
149.01219	1.1
149.02391	17.5
149.06009	0.9
150.03175	73.5
151.03989	12.1
152.01079	1.4
159.04443	3.2
161.02266	0.7
161.04506	1.3
162.03075	0.6
163.03896	0.9
163.11229	1.4
164.04733	6.2
165.05533	67.1
165.12769	1.2
166.05846	2.7
167.03433	1.3
169.01396	0.7
173.06017	3.0
179.05574	2.5
179.07072	1.2
180.04250	4.2
181.05048	9.2
183.02892	0.7
189.05577	2.3
191.07150	1.2
195.06613	37.1
196.06985	1.9
203.07111	1.4
209.11824	75.4
210.12154	4.8
227.12880	12.2
228.13219	0.9
240.04396	1.2
241.05074	4.9
242.05534	0.8
242.08104	0.8
243.06390	0.6
245.88216	0.6
253.09322	10.1
255.06749	2.6
267.06628	1.8
269.08298	1.4
280.07407	1.2
281.07983	0.8
283.09641	1.0
295.09760	1.1
297.07883	2.9
297.10843	0.7
298.08179	1.0
299.09302	4.3
311.09332	1.3
313.10870	6.2
314.11163	0.8
316.67773	0.6
327.12485	0.6
328.09680	1.1
329.10425	2.5
330.10950	0.8
331.24973	0.7
332.76218	0.7
343.11902	1.6
344.12698	11.3
345.13312	3.1
358.14243	1.7
359.15091	29.9
360.15387	2.9
393.28647	1.7
401.16446	1.4
443.15091	1.5
445.20920	1.9
447.14410	2.9
461.16241	8.2
462.16788	1.1
463.22214	0.9
477.15845	4.0
492.18008	1.7
495.31717	1.1
507.20361	100.0
508.20728	17.3
554.32635	1.9
555.09613	1.1
555.22736	17.6
555.33783	11.6
556.23114	3.2
556.34338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91048	0.2
59.01275	0.4
61.98711	0.6
62.61655	0.3
71.01266	1.4
71.54609	0.4
73.02831	0.4
78.95800	6.1
78.98486	0.6
79.95611	1.2
80.96414	8.9
81.03369	0.2
82.95992	0.8
85.02855	0.3
87.00788	0.3
94.97989	2.3
96.95940	0.3
97.02831	0.3
102.31931	0.2
106.97971	0.3
109.10042	0.3
122.97484	0.7
125.02359	0.4
134.97502	0.7
148.99094	0.7
152.98541	0.6
152.99556	0.9
153.37898	0.3
164.98610	1.3
168.04225	2.0
169.66356	0.2
182.99739	0.3
206.99660	0.6
224.06966	1.2
225.00699	1.7
226.01003	0.7
242.08049	2.5
243.08382	0.3
254.22021	0.3
279.23358	100.0
280.23700	10.0
300.05084	0.3
305.91168	0.3
504.31119	39.4
505.31418	6.9
554.27313	15.4
555.27008	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	554.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.6
61.98719	100.0
62.98432	0.2
68.93711	0.1
69.41642	1.3
71.01274	0.5
78.95799	0.4
80.96412	0.3
84.40063	0.1
85.02856	0.1
88.48608	0.1
89.02343	0.2
96.28607	0.1
96.95913	1.5
96.96877	0.2
101.02380	0.2
109.02889	0.2
114.35130	0.2
122.82014	0.1
137.27724	0.1
146.02435	0.4
150.03242	0.2
151.04063	0.1
152.99591	0.4
153.01892	0.2
161.02452	0.1
166.06311	0.2
167.03450	0.3
207.09964	0.1
211.13483	0.6
225.07657	0.2
225.11415	0.4
226.11909	0.2
270.01788	0.3
313.03568	1.0
329.07190	0.2
332.55850	0.2
338.14178	0.2
349.69781	0.1
356.15259	0.3
401.98337	0.1
429.67889	0.1
461.20132	0.2
462.21109	0.3
491.11868	1.0
527.19354	0.4
554.20093	0.5
555.18518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03286	0.2
57.07305	0.3
59.01270	3.0
60.47771	0.2
61.98720	100.0
62.09536	0.2
62.98424	0.3
69.41288	0.3
69.41692	1.4
71.01270	2.5
72.01624	0.2
72.99216	0.4
73.02836	0.5
82.42303	0.2
83.01292	0.4
85.02859	1.0
87.00793	0.3
89.02344	1.5
90.02679	0.2
91.87409	0.2
95.01279	0.2
96.95899	0.2
97.95153	0.2
98.20609	0.4
99.00786	0.3
101.02354	1.7
102.02704	0.4
102.56235	0.2
108.02132	0.3
113.02363	0.7
114.02689	0.2
125.02341	0.2
131.03426	0.2
137.02362	0.3
139.60962	0.2
146.02393	0.3
150.03169	0.3
151.03780	0.2
152.01115	0.4
163.04106	0.2
165.05560	0.3
167.03499	0.8
176.60355	0.2
181.05048	0.9
182.05438	0.5
196.07376	1.4
197.07802	0.8
211.09741	1.8
212.10106	1.3
243.12657	0.2
284.10254	0.2
285.10101	0.2
311.09457	0.2
312.09802	0.6
313.09888	0.4
314.10342	0.5
327.12097	0.4
328.12341	0.3
329.12677	0.2
342.14505	0.7
343.14752	0.4
344.14960	0.5
359.13464	0.3
373.15161	3.7
374.15472	5.8
375.15723	0.4
495.31418	0.3
554.23389	3.1
555.22876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.8
61.98720	100.0
67.06335	0.2
69.56495	1.3
69.56906	0.4
71.01285	0.9
71.01685	0.2
78.95810	0.4
86.19912	0.2
89.02350	0.7
98.20617	0.4
123.00784	0.2
123.04433	0.3
147.03242	0.5
162.01857	1.5
167.03424	0.4
240.83034	0.2
243.03093	0.2
271.02539	2.6
272.02936	0.4
299.02057	8.6
300.02451	1.2
314.04407	14.9
315.04700	1.7
324.07791	0.2
329.06738	25.7
330.07077	3.4
335.26212	0.3
338.14099	0.9
356.15274	0.5
357.26642	0.7
491.12149	3.7
492.12393	0.7
536.21631	0.5
555.28961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09993	1.1
59.01263	8.6
61.98720	53.3
71.01266	3.2
71.53983	1.1
75.20589	1.1
75.71764	1.1
78.95788	1.2
83.04921	1.4
83.85361	1.2
85.02812	1.3
96.95963	1.4
101.02367	2.4
115.07529	1.2
125.02376	1.6
128.03557	1.2
135.00819	1.3
162.01958	6.0
165.01860	1.6
169.12314	2.1
213.11371	2.4
222.23709	1.2
242.02159	2.0
243.03033	1.6
254.78984	1.2
269.04578	2.8
271.02563	16.1
272.03055	1.6
285.04184	2.4
299.02060	62.0
300.02426	7.1
304.06058	2.0
313.03650	9.9
314.04410	100.0
315.04886	10.0
329.06750	89.1
330.07007	8.4
355.24976	3.8
356.25470	3.4
364.26318	1.2
443.62640	1.2
491.12106	89.7
492.12314	15.6
493.37433	2.4
494.38089	1.5
536.21912	2.9
555.27277	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	553.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.8
63.96125	0.9
68.55818	0.3
69.03357	0.4
70.94347	1.0
71.01270	7.4
73.02841	2.1
74.58135	0.3
78.98482	5.4
79.95624	7.9
80.96413	63.6
81.03344	0.8
81.96366	0.4
85.02854	2.3
87.00777	2.6
93.97208	0.3
94.97989	14.9
95.01258	0.4
96.95921	1.2
97.02848	1.3
99.00777	0.6
101.02346	3.0
106.98000	3.3
113.02348	0.5
122.97503	5.1
125.02368	3.0
127.03946	0.9
134.97513	4.3
136.99083	1.1
139.04071	0.3
148.99074	5.3
152.98576	8.0
164.98589	11.5
167.00128	0.4
179.00175	0.5
182.99698	2.4
188.98534	0.4
201.11363	0.5
206.99667	2.9
213.11324	0.3
225.00763	18.2
226.01114	0.6
243.01843	1.5
253.21742	3.5
254.22145	0.4
279.23334	0.8
291.19748	0.5
299.04514	2.8
309.20728	0.5
447.96390	0.3
504.31357	0.4
553.27008	100.0
554.27356	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	553.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.3
57.07898	0.3
59.01263	0.7
61.98729	0.5
63.96130	1.0
64.96899	0.3
69.03339	0.9
70.38359	1.0
71.01274	6.4
73.02834	1.9
78.98490	5.0
79.95632	9.0
80.96416	63.2
81.03357	0.9
83.01263	0.4
85.02848	2.8
87.00768	2.5
94.97990	14.8
96.95940	0.9
97.02869	1.8
98.20522	0.3
99.00789	0.8
101.02344	2.7
106.98003	3.0
113.02415	0.5
122.97501	5.0
125.02386	3.3
127.03931	0.8
134.97522	4.0
136.99110	1.5
146.97501	0.4
148.99100	6.2
152.98587	7.6
158.85085	0.3
164.98592	11.5
165.98949	0.3
167.00186	0.5
182.99670	2.4
188.98674	0.5
202.24658	0.3
206.99716	2.7
225.00772	17.7
225.11238	0.4
226.01031	0.7
240.56529	0.3
242.90775	0.3
243.01869	1.9
253.21722	3.2
291.19788	0.4
299.04413	2.6
309.20847	0.5
324.69717	0.3
340.99396	0.3
553.27032	100.0
554.27289	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	553.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27316	0.7
51.01523	0.9
55.01764	2.8
57.03328	3.3
58.00470	1.3
58.02861	1.7
59.01268	35.1
61.98729	6.4
63.53240	0.9
69.03316	0.8
71.00860	1.8
71.01273	50.1
71.64697	0.7
72.01596	0.9
72.99194	2.4
73.02840	13.4
75.00784	1.8
76.48229	0.9
78.95802	0.8
80.96401	0.7
83.01288	6.6
85.02850	19.3
87.00781	3.9
88.98721	6.1
89.02339	19.7
93.03419	0.8
95.01306	3.5
96.95911	2.3
97.02841	1.4
98.95480	1.8
99.00781	5.6
101.02351	40.7
102.01873	3.8
102.02671	0.9
103.46290	0.9
109.02835	0.8
111.00767	1.1
112.90327	0.7
113.02366	20.9
119.03436	7.3
123.00775	2.3
123.04526	0.9
124.01582	1.1
125.02384	3.8
137.02365	1.8
138.03114	0.8
139.00272	0.8
139.03935	1.6
143.03442	2.2
151.03973	1.0
153.01913	1.3
153.05487	0.9
159.02937	3.0
161.04509	20.0
162.04814	1.0
165.05522	0.9
165.12578	0.7
167.03450	1.6
168.57402	0.9
169.01418	1.3
179.03749	0.7
179.05519	3.9
185.11813	0.9
189.54370	0.8
194.00806	0.9
194.06020	0.8
195.06615	1.8
197.04541	0.9
203.12860	0.9
205.03252	1.1
211.05981	1.1
224.11140	0.7
233.13918	0.9
261.03876	1.6
269.10367	1.6
271.02393	1.0
289.03668	2.9
300.02695	2.6
301.03748	1.5
331.17712	9.0
352.93976	0.8
373.25974	1.4
390.92914	0.8
391.17773	1.4
391.27103	9.1
392.27396	0.9
421.17789	2.0
424.31735	0.8
451.33005	0.8
463.08963	2.9
493.23044	100.0
494.23447	15.3
519.22394	0.8
553.15393	2.4
553.22070	8.0
553.32306	31.3
554.32587	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20215	0.2
59.01268	1.3
61.98727	0.3
71.42938	0.4
74.81160	0.3
78.95370	0.5
78.95799	7.2
80.96407	0.4
83.04893	0.3
96.95922	0.3
97.06541	0.3
116.92781	0.3
119.60646	0.3
127.72282	0.3
130.98024	0.2
132.51442	0.3
134.90948	0.3
152.99525	0.9
153.87834	0.3
155.75455	0.3
168.04263	1.7
168.46230	0.2
177.79584	0.3
185.11653	0.4
195.76976	0.3
199.13425	0.6
207.10240	0.7
209.52438	0.3
210.86336	0.3
224.06920	0.8
225.11349	1.2
242.08003	2.7
243.12439	2.0
259.20767	0.4
275.20145	0.7
277.21793	100.0
278.19070	0.6
278.22144	10.7
307.19217	0.4
309.20807	0.3
320.34378	0.3
347.58051	0.3
426.28088	0.3
434.15024	0.3
502.29562	42.3
503.29837	7.1
552.26050	0.4
553.33551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	16.8
61.98719	0.4
64.66724	0.2
71.62640	0.2
74.50196	0.2
78.95800	5.6
96.95908	0.6
96.96868	0.3
123.35922	0.2
145.02905	0.3
147.66685	0.2
152.99554	1.2
168.04274	1.4
171.10225	0.2
209.11900	0.2
224.06900	0.7
225.11261	0.2
234.60918	0.2
241.67632	0.2
242.08075	2.5
243.12415	0.9
253.21773	100.0
254.22130	9.6
262.04526	0.2
277.21799	2.5
278.22180	0.4
291.19629	0.3
309.20734	0.3
313.64880	0.2
478.29520	37.2
479.29825	5.3
502.29562	2.2
503.29733	0.4
553.33044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.1
57.03341	4.1
58.00478	2.4
58.02854	2.5
59.01266	41.5
61.32855	0.6
61.98727	5.9
67.01739	0.8
70.51165	0.7
71.01271	59.8
71.54206	1.5
72.01598	1.2
72.99196	3.2
73.02835	15.4
75.00761	2.3
78.95812	0.8
83.01285	6.8
85.02844	25.4
86.03183	0.9
87.00777	2.8
88.98730	5.0
89.02338	19.8
95.01281	5.4
96.95931	2.7
97.02831	2.0
98.95484	2.7
99.00787	5.8
100.00280	0.7
101.02345	46.8
102.01864	6.1
102.02505	0.9
109.02852	1.4
111.00789	1.1
113.02357	22.3
114.02685	0.8
119.03442	8.3
121.02854	1.3
123.00816	2.2
124.01556	1.1
125.02328	3.2
131.03409	1.1
137.02402	1.5
137.09631	1.1
138.03186	0.8
143.03415	4.0
151.00269	1.0
153.01936	1.0
153.09128	1.0
159.02959	5.0
161.02399	0.8
161.04501	20.8
169.01353	0.8
179.03456	1.4
179.05568	5.1
186.87343	0.8
194.00830	1.8
195.06694	1.1
203.12708	0.8
205.03529	0.8
211.06204	1.1
221.06546	1.1
233.04613	1.4
233.45917	0.7
261.04239	2.0
263.07471	0.7
269.10342	1.5
283.55096	0.9
289.03665	4.1
300.02872	2.6
304.05804	1.0
331.17734	9.0
354.99170	0.7
391.27078	7.6
421.17963	1.2
451.32303	1.1
463.08896	2.6
493.23016	100.0
494.23367	14.2
553.15082	2.9
553.21844	3.9
553.32495	26.0
554.32599	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	551.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76929	0.2
59.01268	15.9
61.98731	0.3
70.87895	0.4
70.88268	0.4
71.01275	2.6
72.61937	0.2
73.02852	0.9
83.01272	0.5
85.02840	0.7
87.00778	0.4
89.02333	2.7
99.00810	0.2
101.02351	2.9
113.02364	1.2
115.03983	0.2
119.03426	0.8
125.89774	0.2
133.04967	0.4
143.03427	0.5
161.04590	1.0
176.40654	0.2
179.05643	0.4
195.89423	0.2
235.08232	3.0
253.09351	12.7
254.09697	0.5
255.23349	100.0
256.23697	9.7
256.31232	0.2
367.85614	0.2
491.32367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
57.03325	0.3
58.00494	0.2
59.01267	14.3
59.57515	0.2
61.98717	0.3
69.29079	2.0
69.29493	0.5
71.01275	3.5
72.99178	0.2
73.02840	0.7
83.01254	0.4
85.02849	0.8
87.00759	0.5
89.02344	3.2
95.01317	0.2
99.00805	0.2
101.02349	3.8
103.30440	0.2
111.13160	0.2
113.02369	1.8
114.64698	0.2
117.03405	0.3
119.03427	0.9
125.02379	0.3
133.04996	0.5
134.03629	0.2
143.03427	0.2
145.02873	0.5
154.38618	0.2
161.04466	1.6
179.05591	0.4
214.51102	0.3
235.08304	2.7
247.26959	0.2
253.09352	15.1
254.09680	0.8
255.23346	100.0
256.23672	8.7
292.27615	0.2
452.04767	0.2
479.97791	0.3
491.32581	0.9
510.51645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.3
59.56176	0.4
61.98725	4.3
62.03043	0.3
66.55911	0.4
69.35210	0.9
69.35617	3.0
71.01279	0.5
72.29782	0.4
72.99228	0.4
78.95795	54.1
89.02356	0.5
96.96864	6.8
98.19765	0.9
101.02360	0.4
150.97961	1.7
152.99532	100.0
153.99895	1.7
171.00626	4.5
183.13821	0.7
184.14304	0.5
209.11977	0.5
230.77762	0.5
311.22446	0.9
331.74228	0.4
449.28433	0.6
465.22696	34.2
466.23016	4.5
508.29993	0.5
552.26031	10.6
553.26447	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59718	0.2
55.41788	0.2
57.03328	0.4
59.01271	2.6
61.98724	2.1
69.03352	0.4
69.40274	2.0
71.01270	2.3
73.02833	0.8
75.00804	0.3
75.80268	0.2
83.01267	0.5
85.02845	1.3
85.48295	0.2
89.02339	0.6
95.01296	0.2
95.04910	0.2
99.00802	0.4
101.02330	1.5
105.03314	0.5
107.04991	0.2
109.02892	0.3
113.02368	0.8
117.03378	1.1
121.02859	0.4
123.00761	0.4
123.04492	0.4
124.01577	0.7
125.02413	0.3
132.02129	1.3
133.02884	28.5
134.03125	1.1
135.04454	7.2
136.01527	0.2
136.04776	0.2
137.02393	0.6
139.03923	1.2
145.02847	0.3
145.90788	0.2
151.04045	0.2
160.01703	0.2
161.02396	100.0
162.02734	4.7
163.03979	0.3
168.04317	0.3
177.05534	0.2
178.02719	0.2
179.03452	4.6
179.10735	1.0
183.06612	0.4
186.90555	0.2
187.11240	0.3
202.37968	0.2
223.09769	1.6
245.04332	0.5
246.77309	0.2
253.09319	0.6
255.12370	0.5
459.18719	2.1
460.19562	0.3
460.67172	0.2
551.25110	73.2
552.25439	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
59.01266	2.0
61.98715	3.3
68.58058	1.1
71.04905	1.6
71.53754	2.0
78.95795	1.4
80.27643	1.0
83.04939	1.7
95.04948	1.9
96.95931	2.1
97.02874	3.9
97.06496	1.6
99.00796	9.7
109.06496	2.0
122.41641	1.1
125.09631	7.7
127.07575	3.1
141.09106	1.3
142.02679	2.3
153.09180	1.3
155.10718	1.3
163.11267	6.4
165.12843	1.4
166.94881	1.1
171.10237	2.2
181.12338	10.5
185.11804	8.2
187.09718	1.2
197.11899	6.1
199.13358	7.0
201.11305	3.4
207.10262	27.7
208.10855	1.7
209.11838	21.3
210.12131	1.4
218.59090	1.1
220.19083	1.0
223.13553	1.2
225.11345	42.0
226.11623	2.9
239.73560	1.1
243.12419	100.0
244.12813	5.7
245.19098	1.9
289.18210	9.1
305.17862	1.2
307.19241	29.8
308.19510	2.7
325.20288	19.7
326.20801	1.3
334.58115	1.3
345.20908	1.2
419.95056	1.3
425.25632	3.0
489.32590	1.9
515.30988	2.3
533.31512	5.2
551.32806	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	551.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
59.01261	1.6
61.98702	1.0
62.55124	0.5
68.98007	0.6
69.03337	2.6
69.28563	6.5
71.01266	0.8
71.04918	2.7
74.81207	0.6
76.96521	0.7
83.04924	0.6
96.95922	0.7
97.06486	0.8
98.19753	1.2
99.00784	0.6
121.02897	0.6
123.04392	0.7
123.08071	1.1
125.09661	2.3
134.87599	0.7
137.09685	0.7
141.09138	0.6
145.02869	0.7
151.11220	1.8
153.12770	1.9
155.10751	1.8
155.20288	0.5
161.09639	3.0
165.12837	1.2
171.10240	1.4
179.10727	7.9
185.11778	1.3
197.11816	63.0
198.12170	4.0
207.10233	0.8
209.11763	1.2
223.09775	1.3
225.11342	1.5
241.10841	100.0
242.11252	6.0
243.12450	2.3
247.20825	1.4
253.21765	1.9
289.18286	0.7
291.19766	3.6
307.19223	1.6
309.20712	3.9
327.21768	1.7
409.19110	0.9
430.50742	0.6
440.20139	0.6
503.21188	0.6
533.31458	2.0
551.32404	17.6
552.32660	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	551.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96153	0.3
55.01760	0.4
57.03338	0.7
57.57296	0.3
59.01260	1.1
60.43346	0.3
61.90685	0.3
61.98703	0.7
69.03325	0.3
71.01272	0.6
71.04904	1.5
71.62840	0.6
81.03393	0.4
83.04924	0.9
95.04914	0.9
96.95950	0.4
97.02851	3.7
97.06492	1.4
99.00163	0.7
99.00779	9.8
106.04205	0.5
109.06503	1.0
110.03649	0.7
123.04456	0.5
123.08044	0.9
125.09644	5.0
127.07597	0.5
127.11213	0.5
135.08067	1.0
136.05276	0.5
137.09612	0.5
141.05482	0.4
142.02632	0.9
144.25591	0.3
153.09119	1.8
153.12790	0.8
155.14352	0.8
161.09712	0.6
163.11240	6.6
165.09213	0.4
171.10306	1.9
171.11475	0.3
179.10730	0.9
181.12314	12.5
185.11801	1.8
191.14380	1.8
192.14726	0.4
197.11768	1.2
199.13383	6.5
200.13800	0.6
201.11302	1.0
207.10262	23.6
208.10588	1.8
209.11830	2.3
221.15996	0.3
225.11333	35.5
226.11711	2.1
228.13165	0.4
243.12410	100.0
244.12737	6.2
245.19095	3.5
289.18182	10.9
290.18597	1.1
307.19220	17.8
308.19614	2.0
311.88190	0.4
325.20248	5.5
326.20502	0.5
515.30231	0.5
533.31451	1.2
551.32501	5.3
552.32678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.3
56.07332	0.1
57.03339	0.2
57.18816	0.1
57.76716	0.1
58.00485	0.2
59.01270	2.2
60.46404	0.1
61.98726	0.5
70.05191	0.5
71.01274	3.0
72.99201	0.2
73.02832	0.7
75.00761	0.1
77.03886	0.2
77.15539	0.1
83.01259	0.6
85.02844	1.4
86.00014	0.1
87.00760	0.1
89.02341	1.5
89.03870	0.2
93.03363	0.1
95.01318	0.3
97.02853	0.1
99.00777	0.2
101.02345	2.0
105.03349	0.5
107.04965	0.2
108.02096	0.1
109.02836	0.2
111.00778	0.2
113.02370	1.0
115.01764	0.2
117.03387	1.2
119.03446	0.2
121.02889	0.2
123.04439	0.4
125.02397	0.1
131.03458	0.2
132.02098	1.5
133.02885	33.0
134.03276	1.3
135.04453	7.6
136.04781	0.4
137.02351	0.7
139.03915	0.2
145.02921	0.2
149.02502	0.1
149.04509	0.3
150.03159	0.1
153.01880	0.1
160.01598	0.2
161.02394	100.0
162.02728	4.9
163.03932	0.2
164.98201	0.1
167.03389	0.2
177.05502	0.2
178.02707	0.2
179.03458	3.5
180.03780	0.2
203.03636	0.1
206.05624	0.1
221.04550	0.1
227.16408	0.1
265.07040	0.2
269.17685	0.1
281.06265	0.1
283.09702	0.4
299.02161	0.1
311.09296	1.0
312.09406	0.1
325.10971	0.1
326.11646	0.6
329.06787	0.4
331.04495	0.2
341.14017	1.3
342.14343	0.2
359.04257	0.2
374.06549	0.3
387.79251	0.1
389.08838	0.8
389.16678	0.1
389.21725	0.4
431.22943	1.2
432.22946	0.1
444.34351	0.1
491.28564	0.1
551.25085	72.1
552.25439	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2514
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
55.01793	0.4
55.66778	0.2
57.03363	0.3
58.67678	0.2
59.01268	2.0
59.84041	0.2
61.98716	0.5
67.85622	0.2
71.01270	2.8
71.11668	0.4
73.02838	0.8
75.00756	0.2
78.48328	0.2
81.03361	0.2
83.01284	0.6
85.02837	1.9
89.02348	0.9
92.20329	0.2
94.88676	0.2
95.01303	0.3
99.00790	0.2
101.02341	1.7
105.03378	0.6
113.02375	1.1
117.03373	1.3
123.04434	0.5
132.02110	1.5
133.02885	30.8
134.03180	1.0
135.03412	0.4
135.04454	7.7
136.04797	0.5
137.02373	0.6
160.01537	0.2
161.02397	100.0
162.01411	0.2
162.02740	4.5
163.03957	0.3
178.02769	0.3
179.03462	3.7
180.03802	0.2
269.17679	0.2
299.01886	0.4
311.09308	0.4
326.11777	0.2
329.06931	0.3
341.13974	0.7
374.06427	0.3
389.08710	0.6
389.21954	0.5
431.23010	2.2
499.99438	0.2
551.25104	90.1
552.25446	15.5
552.34180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2514
Annotation	Dracunculifoside A
Peak:m/z	Relative Intensity
54.97095	0.3
55.01785	0.6
57.03355	1.0
58.11869	0.3
59.01267	9.9
61.98727	1.0
69.03351	4.0
71.01274	10.1
71.01663	0.5
71.54411	0.3
72.98293	0.3
72.99193	2.0
73.02831	3.8
73.83107	0.3
75.00774	0.5
79.01794	0.4
81.03381	1.5
83.01277	1.5
83.04931	0.5
85.02850	5.5
87.00793	0.7
88.98688	0.5
89.02331	4.9
93.03377	0.7
95.01286	3.4
95.95451	0.3
96.95919	4.3
97.02859	3.3
99.00813	1.2
101.02345	8.3
103.03925	2.1
105.03378	0.5
107.01299	1.8
108.02080	12.8
109.02874	15.8
110.03229	0.7
113.02353	2.9
117.03401	1.4
119.03408	2.7
119.04927	0.8
121.02876	6.6
123.00798	2.8
123.04521	0.7
124.01541	0.7
125.02369	7.0
126.02752	0.4
131.03459	0.6
132.02084	0.9
133.02884	29.8
134.03384	1.1
135.00804	3.7
135.04456	8.2
137.02380	9.8
138.02803	0.4
139.03964	0.7
143.03490	0.6
145.02895	2.9
149.02394	1.4
151.00337	0.9
151.04008	0.4
152.01100	3.2
153.01883	23.2
154.02194	0.7
161.02397	100.0
162.02737	5.4
163.03955	1.3
163.06099	2.1
167.03455	1.4
169.06540	1.3
177.05489	0.5
179.03494	4.2
179.05037	0.5
179.05537	0.4
183.06705	0.3
195.02951	0.4
197.06052	11.6
198.06462	0.7
205.05081	0.5
213.05560	2.2
215.07100	1.6
228.30904	0.3
243.06664	24.1
244.06979	2.4
247.08234	1.2
297.06241	1.2
307.10489	0.7
389.21655	1.5
436.88113	0.4
443.12076	12.4
444.12140	1.7
521.20496	0.4
523.38623	0.4
550.29547	0.3
551.24878	68.4
552.25275	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	551.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.5
57.03334	0.6
58.00495	0.3
59.01267	5.0
61.98713	0.6
69.23469	1.4
69.23891	1.8
71.01272	5.9
71.62836	0.3
72.99205	0.6
73.02833	1.7
83.01280	0.9
85.02835	2.7
87.00793	0.5
89.02352	2.4
93.03348	0.3
95.01270	0.6
96.95914	0.7
97.01774	0.3
97.02874	0.5
98.95530	0.3
99.00768	0.8
101.02349	3.3
104.02579	0.3
105.03351	0.6
107.04964	0.3
111.00808	0.3
113.02369	1.7
117.03381	1.3
119.03426	0.7
121.02945	0.3
123.00806	0.6
123.04463	0.5
125.02382	1.0
132.02083	1.7
133.02887	31.6
134.03273	0.9
135.04456	7.9
137.02368	1.1
138.03192	1.5
145.02911	0.5
151.00275	0.4
152.01074	0.3
153.01869	0.6
153.05556	0.4
160.01578	0.7
161.02397	100.0
162.02765	5.2
163.03932	0.5
168.04247	1.2
175.00346	0.7
175.03958	0.8
179.03477	3.7
179.05054	0.4
179.05602	0.4
180.04001	0.6
181.05011	0.4
183.06584	0.6
190.02718	2.5
193.05095	0.4
205.05046	2.0
209.11812	0.3
223.06100	0.4
307.08344	0.3
337.09369	0.6
367.10345	1.4
385.20978	0.4
389.16391	0.3
389.25644	0.8
551.25134	55.5
551.30927	9.6
552.25031	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	551.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02335	1.2
54.76674	1.3
55.01760	1.5
57.03329	3.4
58.00484	3.1
59.01267	67.3
61.98716	4.1
65.00210	1.2
69.03342	3.6
71.01275	62.5
72.99192	5.0
73.02834	12.5
77.08523	1.2
78.95794	2.5
81.03349	2.1
83.01283	4.1
85.02847	12.8
87.00768	7.2
89.02341	62.1
91.01760	1.9
93.03352	2.6
95.01280	4.8
96.95924	7.6
96.96858	1.9
97.02851	4.7
99.00787	3.4
101.02352	49.9
109.02866	2.4
113.02366	26.1
113.05975	2.8
119.01322	7.6
119.03423	33.3
119.04807	1.5
121.02897	4.2
123.00780	8.8
123.04435	2.7
124.01604	11.1
125.02377	29.2
131.03438	7.8
133.02872	5.4
134.03612	1.8
135.04437	3.6
137.02341	2.0
137.06035	1.4
137.09633	5.5
138.03128	4.0
139.03966	12.6
143.03453	10.3
145.02867	4.3
146.02448	2.8
147.00818	6.5
149.02386	11.8
149.04361	2.5
151.00226	1.9
151.03917	2.2
152.01068	2.2
152.04733	2.1
153.00656	2.2
153.01886	37.3
153.05318	1.7
161.02420	14.0
161.04498	17.8
163.03944	3.6
164.04756	9.5
165.05258	1.9
167.03493	3.0
167.10748	32.3
168.04240	30.7
168.11128	2.0
175.00331	37.7
176.00677	1.8
177.01892	1.7
179.03419	2.1
179.03777	2.3
179.05595	39.4
179.07098	3.5
181.05054	1.4
183.06595	10.1
190.02704	92.8
191.03059	6.1
196.03749	1.9
205.05060	100.0
206.05438	7.4
208.03734	1.9
211.06068	2.9
212.06450	2.6
213.06604	1.5
221.06647	18.5
223.06174	16.9
224.06464	1.3
263.07733	6.9
265.07214	1.3
267.16040	11.3
280.90994	1.2
294.05429	1.6
299.81763	1.2
301.09372	3.3
307.08484	1.9
323.09921	45.2
324.10275	4.2
367.10443	45.1
368.10812	4.3
475.95154	1.3
536.15424	2.8
551.17731	57.7
551.25018	10.5
552.18079	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	551.2148
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01777	2.2
57.03332	1.8
58.00473	1.5
59.01268	21.5
61.98729	2.0
69.32015	0.5
69.32412	3.4
70.21287	0.4
71.01275	22.3
72.53385	0.4
72.99184	1.5
73.02843	6.2
73.83456	0.4
74.02393	0.4
75.00753	0.5
83.01272	4.3
85.02850	11.5
85.99970	0.6
87.00776	2.6
89.02341	9.1
93.03402	0.4
95.01311	2.3
96.95911	1.6
97.02872	0.8
98.19830	0.7
99.00780	2.3
101.02346	15.3
107.04903	0.5
109.02835	0.8
111.00796	0.9
113.02370	7.6
119.03419	2.9
121.02856	0.5
123.00777	0.8
124.01589	5.0
125.02385	4.2
128.03456	0.9
131.03438	0.4
133.02884	0.6
133.62680	0.4
137.02376	0.8
139.00317	0.9
139.03955	6.2
143.03473	0.9
143.04558	1.1
144.04887	0.4
150.03151	0.8
152.00984	0.4
153.01912	0.6
153.05482	0.9
159.03012	0.9
159.04445	1.8
160.01582	1.2
161.02357	1.6
161.04483	3.3
165.05510	1.9
172.05290	0.9
173.06062	2.5
175.03935	1.6
177.01965	0.4
179.05655	0.6
187.07616	1.3
189.05505	1.7
190.06374	0.5
191.05530	0.6
191.07108	1.5
193.04976	0.6
203.07051	0.8
205.08629	0.5
209.58160	0.4
221.03545	0.4
240.04405	0.6
253.05066	1.3
256.03848	2.4
257.04474	0.5
271.06232	2.3
273.09109	0.6
274.08566	0.6
283.06195	0.9
285.07709	1.0
286.08344	0.5
295.06226	0.8
296.06961	1.7
297.07599	0.9
298.08640	0.5
299.09344	0.7
300.10117	0.6
303.05139	0.5
306.07721	0.9
308.07227	0.6
309.07816	0.7
310.08688	0.6
311.09128	2.1
312.09799	0.6
313.07468	0.4
314.07849	0.7
316.09418	0.7
323.08984	1.4
325.10971	2.1
326.08002	1.2
326.11685	0.8
327.08582	0.7
328.09784	1.0
329.10431	2.1
329.13840	0.5
337.09479	2.0
339.12238	0.5
341.10385	2.4
341.13770	0.5
342.10934	0.8
343.12018	3.5
343.39569	0.4
344.08966	1.3
344.12625	0.8
356.12799	1.2
357.13419	0.8
359.11447	15.0
360.11865	2.4
371.15320	2.1
373.13397	0.5
374.13803	22.8
375.14182	2.8
389.16193	50.9
390.16638	6.1
491.20178	0.7
536.18860	2.1
551.21368	100.0
552.21759	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	551.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13287	0.7
55.01786	1.6
57.03353	1.6
58.00489	2.7
59.01266	51.1
61.98732	3.3
65.00220	1.2
68.16096	0.7
69.03351	3.3
69.19131	0.7
69.25634	0.7
70.12807	0.6
71.01273	53.4
71.52699	0.8
72.01627	1.4
72.99202	3.6
73.02845	9.1
75.00801	1.3
77.86215	0.7
78.95811	1.7
81.03352	1.4
83.01285	5.2
83.04956	0.8
85.02846	14.7
85.03353	0.8
87.00771	5.5
89.02342	56.9
90.02716	0.8
91.01806	2.5
93.03383	2.2
95.01297	4.6
95.04944	1.3
96.95918	7.4
96.96861	0.9
97.02839	5.7
99.00801	3.0
99.04424	1.5
101.02350	42.9
102.02688	0.9
109.02863	1.8
111.00748	1.5
113.02366	24.1
113.06010	1.8
117.03358	1.1
118.02917	0.8
119.01295	6.6
119.02573	1.7
119.03423	25.5
119.04255	1.4
121.02871	3.5
121.85927	0.6
123.00817	8.9
123.04455	2.9
124.01595	8.7
125.02373	25.0
126.02750	0.7
131.03418	5.9
133.02879	3.5
134.03746	1.4
135.04457	3.9
137.02385	1.6
137.06042	1.5
137.09657	3.3
137.99507	1.7
138.03174	3.2
139.03947	10.2
143.03455	7.7
145.02899	3.1
146.02434	3.0
147.00833	6.2
147.04489	0.8
149.02406	13.0
149.04498	2.4
150.03143	1.8
151.04054	0.7
152.01085	3.0
152.04729	1.7
153.01886	38.1
153.05313	1.4
154.02213	1.7
159.02859	0.9
160.01631	0.9
161.02426	10.3
161.04497	12.3
163.03954	3.1
164.04738	12.9
165.01881	1.7
165.05309	0.7
167.03444	3.2
167.10738	28.7
168.04243	34.2
168.11096	1.7
169.04703	1.6
175.00333	40.5
176.00797	2.5
177.01897	2.3
179.03377	1.7
179.03763	1.2
179.05594	26.5
179.07080	1.9
183.06622	9.3
189.01874	1.1
190.02699	95.4
191.03065	5.5
193.05025	2.1
194.02245	1.2
196.03683	1.5
201.77110	0.9
205.05060	100.0
206.05405	6.4
208.03679	1.6
209.04541	1.7
211.06136	2.3
212.06444	1.1
220.07576	1.1
221.06657	18.7
223.04062	1.5
223.06105	14.5
224.06451	1.1
243.06836	1.4
243.12540	0.7
245.06764	1.7
247.06203	1.1
263.07779	4.9
267.16040	8.5
268.36859	0.8
271.02475	0.9
301.09250	2.4
307.08182	1.0
323.09906	42.2
324.10257	1.7
341.11072	1.0
352.08441	0.9
367.10419	44.9
368.10733	5.5
371.07416	0.8
389.25485	1.2
408.96735	0.9
476.81995	0.8
487.12140	0.8
491.15839	1.6
536.15375	1.8
537.46320	0.7
551.17657	59.0
551.24866	5.7
552.17914	11.5
552.41937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04040	3.7
59.01271	34.7
60.28629	3.7
61.98726	9.3
71.01272	42.6
71.02922	4.0
71.19241	8.3
71.19576	5.1
73.02832	14.6
83.01276	7.0
85.02852	23.0
87.00768	6.1
89.02335	21.2
96.95911	34.6
97.13802	4.8
99.00787	7.3
101.02351	28.2
103.03905	5.3
113.02354	23.6
121.02910	5.7
125.02393	10.1
131.03415	6.3
136.59837	4.3
137.02419	5.9
139.03969	7.5
143.03445	7.0
153.01900	86.0
159.02809	4.4
161.04512	35.7
168.04247	100.0
179.05592	5.3
183.06602	73.6
193.05055	4.0
205.07234	9.5
207.17885	4.0
305.06546	5.5
329.94617	4.9
345.11960	14.7
348.64307	4.6
359.11551	20.9
374.13855	26.5
389.11761	8.1
389.16241	80.3
389.21365	4.4
390.16559	12.3
431.22964	4.3
491.17767	80.3
492.18015	6.6
539.83423	5.4
551.27618	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	551.1787
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
57.03325	0.1
59.01271	1.0
61.98722	1.0
65.00211	0.6
65.03866	0.2
68.99702	0.1
69.03323	0.2
71.01271	0.8
71.62426	0.1
71.62798	0.1
72.99205	0.2
73.02847	0.3
75.00765	5.9
77.03872	0.1
78.95817	0.3
79.01827	0.1
80.02573	0.4
81.03342	0.2
83.01294	0.1
83.04941	0.1
85.02846	0.4
88.98705	0.3
89.02334	0.6
89.26138	0.1
91.01793	13.9
92.02129	0.4
93.03375	0.2
95.01281	0.9
95.04892	0.1
96.95921	0.2
97.02856	0.2
97.06492	0.1
101.02363	0.5
101.16703	0.1
103.03918	0.2
105.03470	0.1
107.01341	0.3
107.04927	0.7
108.02081	17.0
109.02901	3.4
110.03217	0.1
111.00811	0.2
113.02339	0.2
119.03430	0.1
119.08589	0.1
121.02872	0.8
123.00804	6.0
123.04379	0.1
124.01620	1.7
125.02363	0.2
135.00812	13.3
136.01115	0.5
137.02376	3.0
137.06017	0.3
138.03204	0.1
138.04576	0.1
139.00340	0.1
139.03954	0.7
143.03427	0.1
149.02338	0.1
151.00354	0.1
151.03914	0.1
152.01099	15.4
153.01811	0.7
159.03024	0.1
161.02419	0.2
161.04420	0.4
162.03152	0.2
163.03911	0.1
163.06122	0.2
169.06548	0.3
177.05534	0.3
181.05075	0.1
183.06630	0.1
183.10236	0.3
187.14851	0.2
191.05482	0.1
197.06076	1.2
199.07579	0.5
213.05551	1.1
215.07158	0.8
223.79758	0.1
225.05542	0.3
241.05110	0.2
242.05898	0.2
243.06656	100.0
244.06989	8.0
246.96091	0.1
267.16129	0.6
283.08289	0.1
287.02075	0.1
301.09384	0.2
343.10440	0.1
358.03485	0.1
389.08960	0.2
394.08429	0.1
443.11783	0.6
486.05194	0.1
551.17786	8.0
552.18091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.8
59.51467	0.2
63.61741	0.3
65.00201	0.6
65.03851	4.0
67.01761	2.0
67.95659	0.3
69.42603	0.5
69.43010	2.1
71.01273	0.7
75.83522	0.3
87.37619	0.3
87.48040	0.3
89.02350	0.4
91.01794	24.7
92.02112	0.7
96.84842	0.3
96.95872	0.3
107.04941	0.3
109.02863	28.9
110.03201	0.9
111.27277	0.3
125.02320	0.3
128.36101	0.3
133.02884	0.6
135.00810	76.9
136.01140	3.6
137.02353	0.4
137.51675	0.3
153.01880	100.0
154.02225	3.9
161.02393	1.5
175.03914	0.5
178.91124	0.3
195.02873	0.4
199.36382	0.3
227.85257	0.3
239.76376	0.3
243.06656	4.2
382.02280	0.3
443.12006	5.6
444.12430	0.9
465.81491	0.3
470.03021	0.3
551.15198	0.4
551.24854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02860	8.8
59.01253	2.1
65.88280	0.6
66.03357	0.8
70.02867	1.0
70.81697	1.8
71.01274	2.2
72.00813	1.4
74.02367	18.5
76.80505	0.6
81.04443	1.0
82.02874	2.0
85.02914	0.7
86.02367	7.8
86.06042	0.9
86.99004	1.7
87.05534	4.9
89.02348	1.4
90.00121	1.0
97.03973	2.1
99.05543	17.1
101.07134	3.4
102.05521	2.3
107.06082	1.2
109.02794	0.7
109.04003	2.3
109.07623	0.8
111.05510	1.6
112.03954	1.4
116.01678	1.0
123.05572	1.6
125.03510	2.2
127.05068	3.5
128.03467	47.0
129.03810	1.9
135.05579	3.7
139.05127	0.9
141.06621	3.1
143.04567	70.3
144.04930	1.4
145.06125	3.0
146.04541	6.2
153.06642	5.1
160.00694	15.6
166.09821	3.6
167.04594	4.7
167.06932	0.7
167.08272	2.7
170.03305	0.7
171.04117	0.9
171.07722	1.7
177.03317	6.1
179.04605	15.1
181.06215	2.1
185.05640	1.8
192.07785	1.6
197.05614	1.5
207.10335	0.8
210.08849	13.9
213.03366	0.8
228.09988	1.2
242.07909	1.4
254.07878	17.0
272.08951	25.6
273.09363	0.9
288.06699	6.5
306.07736	100.0
307.08035	6.0
313.10837	0.8
332.09412	3.8
344.12704	2.4
359.15231	3.6
435.09305	0.8
491.19345	6.4
550.21014	12.5
551.21735	1.8
551.31470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	1.5
61.98721	5.8
70.43789	1.0
71.01266	0.9
77.97849	0.3
78.95798	40.0
89.02316	0.5
95.96087	1.2
96.95923	0.6
96.96868	5.4
97.06496	1.1
99.08053	0.9
109.06466	0.4
111.08076	0.5
111.95627	0.4
113.09628	1.1
115.07565	1.5
122.98453	26.8
123.04445	0.7
124.01580	0.4
125.00014	3.6
126.06787	0.9
127.07560	3.3
127.11231	0.4
128.08362	2.8
129.09190	0.5
139.03947	0.4
150.98007	0.6
151.01628	1.7
152.99530	25.6
153.05559	0.5
153.99838	0.7
154.05740	0.3
163.11258	0.4
165.12817	3.6
167.10762	0.5
167.14371	1.0
168.04245	3.3
171.00621	1.1
177.12837	0.4
179.01048	0.4
181.02713	1.1
181.12321	1.9
181.15959	0.4
182.05803	0.8
183.13887	0.8
193.12326	0.6
195.13907	2.8
197.02254	0.4
197.15462	1.8
198.41913	0.4
209.11850	0.3
209.15457	4.2
210.15791	0.3
211.13394	1.4
224.06906	2.6
225.14944	1.1
227.16522	1.5
229.14319	0.4
242.08015	6.1
249.22270	0.8
265.21735	0.6
275.20221	0.6
293.21317	7.9
294.21536	0.7
297.24478	0.4
307.22858	2.7
310.21466	0.4
311.22369	6.6
312.22861	0.6
325.23917	100.0
326.24252	10.8
393.16809	0.5
447.21497	0.7
465.22641	6.1
466.23181	0.9
491.24265	4.7
492.25110	1.6
535.29370	0.5
550.24963	1.3
550.31641	36.6
551.24725	0.6
551.32104	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	551.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73577	0.5
55.01778	1.5
57.03339	1.3
58.00490	2.7
58.65974	0.5
59.01266	57.2
60.01589	0.9
61.98710	0.8
62.51188	0.5
67.01779	0.6
69.03344	31.4
69.81829	0.5
71.01273	41.1
71.25575	1.0
71.63439	0.5
72.01611	0.7
72.99200	4.0
73.02837	17.6
78.95807	1.0
79.01780	5.7
81.03350	5.6
83.01263	4.1
83.04890	0.8
85.02844	18.9
87.00784	3.0
87.04424	1.0
89.02338	24.7
93.03362	1.2
95.01289	6.9
96.95918	1.0
97.02853	22.1
98.03220	1.1
99.00806	2.1
99.04415	1.0
101.02348	34.4
103.03918	26.3
107.01293	16.4
108.02084	54.7
109.02882	14.9
111.04459	0.6
113.02367	3.4
115.03927	1.3
118.01600	0.5
119.03424	10.7
121.02877	4.2
123.00820	6.7
123.04392	0.6
124.01590	2.2
125.02369	57.3
126.02713	1.4
127.03931	2.8
131.03404	1.5
133.02872	0.8
134.03731	0.6
135.00815	46.4
136.01180	1.0
137.02376	6.5
137.06032	0.8
139.03954	2.6
141.09171	0.6
143.03432	4.6
144.58452	0.5
145.05026	4.0
150.03220	0.7
151.00319	5.2
151.03973	1.1
152.01097	100.0
153.01886	13.8
161.02432	1.0
161.04507	1.1
163.03967	1.1
163.06073	15.0
164.06364	0.9
165.01735	0.6
167.03320	0.7
175.93266	0.5
187.11256	0.6
197.06061	6.0
198.06619	0.7
205.07161	2.0
205.23218	0.5
209.04437	0.7
213.05565	1.2
215.07321	0.8
223.06236	1.8
229.07240	0.9
242.05862	1.6
243.06662	51.9
244.07004	4.2
247.08282	10.4
307.10406	6.8
443.12042	80.8
444.12292	8.4
491.35971	0.7
551.23468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36420	0.2
55.01780	0.3
56.29712	0.2
57.03332	0.9
59.01266	0.6
61.98711	0.6
69.03348	3.4
69.26979	2.7
71.01287	0.5
71.04906	2.9
80.02578	0.5
81.03358	0.4
83.04928	0.8
95.04948	0.6
97.02859	0.5
97.06467	1.2
121.02799	0.3
123.04471	0.4
123.08087	1.5
125.09640	2.5
135.08107	0.3
137.09727	0.6
141.09151	0.5
151.11249	1.6
153.09180	0.4
153.12808	2.3
161.09682	3.0
163.11263	0.5
171.10222	0.5
179.10753	6.7
185.11800	0.9
191.14412	0.4
197.11818	58.4
198.12149	3.3
207.10333	0.7
209.11827	1.1
223.09732	2.2
223.13260	0.3
225.11266	0.5
229.55042	0.3
239.75404	0.3
241.10846	100.0
242.11189	7.3
245.19122	0.7
269.79016	0.2
271.17004	0.3
286.29456	0.3
289.18198	2.4
290.18497	0.4
307.19250	3.3
308.19492	0.3
308.71301	0.3
325.20309	1.7
326.20657	0.3
363.18124	0.6
487.31293	0.5
505.31580	0.3
531.29865	1.0
549.30859	11.6
550.31329	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2721
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
57.03321	0.5
59.01265	17.8
60.01586	0.5
61.98719	6.4
69.32832	4.2
71.01274	5.0
72.99194	0.6
73.02837	1.6
78.95797	4.8
80.96422	0.8
83.01320	0.5
83.04902	0.4
85.02853	3.0
87.00809	0.6
89.02366	1.0
94.21970	0.4
96.95898	0.8
96.96865	0.6
99.00767	0.7
101.02344	3.6
105.03341	0.6
108.02098	1.1
108.32428	0.4
110.23972	0.5
110.33250	0.4
111.59315	0.4
113.02392	2.0
117.03391	0.7
119.03384	0.6
121.02934	1.1
123.04462	0.5
124.01611	0.6
129.03664	0.4
132.02107	14.3
133.02913	4.6
134.03676	12.1
135.04518	0.5
137.02396	1.5
139.03938	0.8
149.05981	2.1
152.01115	1.3
152.99541	7.9
160.01614	76.3
161.01913	3.4
163.06078	0.5
165.05721	0.5
167.03485	0.6
175.03973	84.8
176.04337	5.2
177.01897	0.5
178.02681	1.2
179.03491	1.9
181.08740	1.2
181.12320	1.0
191.05420	0.4
193.05054	8.6
194.05452	0.5
195.17447	0.4
221.04530	0.5
225.11316	2.7
243.58289	0.4
293.38364	0.4
324.22784	1.0
327.15039	0.6
347.01688	0.5
357.21918	0.5
380.44171	0.4
445.24518	0.4
463.21136	3.6
517.30560	0.6
549.27240	100.0
550.27625	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	549.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09587	0.1
59.01270	1.0
59.40162	0.1
61.98720	0.1
71.01266	1.3
71.56314	0.1
73.02831	0.2
76.50761	0.1
78.95797	4.8
79.95631	1.8
83.01287	0.1
83.02403	0.1
85.02403	0.1
85.02828	0.4
87.00761	0.1
89.02353	0.7
96.95921	100.0
96.96822	9.7
97.95853	0.4
98.02386	1.5
98.95463	0.1
99.00780	0.1
101.02353	0.9
113.02377	0.5
119.03402	0.2
125.02361	0.2
128.03468	0.1
137.02315	0.1
143.03398	0.2
143.04535	0.2
151.03990	0.1
161.04524	0.4
164.04727	0.1
165.01918	0.1
165.05524	0.1
165.09222	0.1
166.05031	0.2
166.06320	1.0
177.01901	0.1
179.05605	0.4
179.06993	0.1
181.08640	0.1
190.06342	0.1
191.05568	0.1
191.69925	0.1
192.04279	1.2
197.73102	0.1
207.04675	0.2
207.06621	3.1
208.06923	0.2
210.05339	1.8
211.05843	0.1
225.07695	2.6
225.16068	0.1
226.08119	0.1
226.84076	0.1
249.07787	0.3
267.08914	0.1
301.04041	0.1
306.07788	0.2
333.22989	0.2
346.03284	0.1
347.03894	0.1
351.23990	0.1
369.12024	0.3
384.09415	0.1
387.13065	2.8
387.17679	0.2
388.13495	0.3
410.07300	0.1
417.76581	0.1
429.14069	0.9
430.14728	0.1
434.15045	0.1
436.04343	0.1
459.15677	0.2
490.34186	1.0
532.11188	0.2
550.11694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97791	1.1
57.03335	1.7
59.01268	35.4
61.98709	4.6
67.35479	1.1
69.03336	1.0
71.01275	32.7
71.52343	2.0
72.99213	2.2
73.02837	11.1
75.00767	1.6
83.01253	2.8
85.02846	8.9
87.00761	2.5
89.02338	40.0
95.01294	2.0
96.95905	7.6
97.02868	2.7
99.00780	13.3
101.02351	21.4
113.02358	9.8
115.03938	1.9
119.03408	7.3
125.02386	5.3
128.03517	1.3
131.03453	4.7
140.11467	1.1
143.03427	1.6
149.04509	11.7
151.03886	1.2
153.09190	1.7
161.04517	5.6
165.05487	2.3
166.06335	8.7
177.09164	5.2
179.05574	2.1
191.05562	6.2
192.04358	1.8
207.06717	1.8
210.05345	11.4
221.06689	1.7
225.07722	11.0
225.14983	1.4
251.07715	1.5
293.08847	2.4
304.06143	3.9
357.15683	5.9
387.13098	15.8
388.13626	1.7
395.25766	1.0
489.19901	100.0
490.20255	13.2
549.26068	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	549.2723
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
55.01763	0.6
56.54905	0.3
57.03334	0.6
59.01261	2.3
61.40800	0.3
61.98721	1.5
67.30121	0.3
71.01270	3.7
73.02835	1.3
78.95776	0.4
83.01277	0.7
85.02837	1.8
87.00776	0.4
89.02340	0.5
93.03354	0.3
93.52152	0.3
95.04933	0.4
97.02804	0.3
99.00784	0.8
101.02351	2.7
104.30700	0.4
104.74269	0.3
105.03344	0.6
113.02367	1.1
117.03429	0.7
119.04988	0.3
121.02882	0.4
123.04445	2.9
124.01617	0.4
132.02100	14.9
133.02934	4.6
133.83817	0.3
134.03671	14.3
135.04446	0.7
137.02309	1.6
139.03920	0.7
147.04491	0.4
149.06058	1.8
152.99512	0.8
153.05508	3.5
160.01611	82.0
161.01950	4.1
161.04523	0.6
162.03189	0.3
163.32599	0.3
165.56740	0.3
175.03969	93.6
176.04288	5.7
177.01817	0.7
177.05522	0.7
178.02658	1.3
179.03426	2.0
193.05045	9.5
193.95135	0.3
194.05516	0.6
201.73260	0.3
221.04439	0.4
229.63350	0.3
417.24997	0.8
534.25110	1.5
535.24542	0.3
549.27209	100.0
550.27557	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	549.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
60.33960	0.1
61.98720	100.0
62.98423	0.3
71.01271	1.5
72.99165	0.2
73.02846	0.3
75.00757	0.2
75.47546	0.2
78.95815	0.2
83.01308	0.2
85.02866	0.5
89.02353	0.7
96.95947	0.4
101.02370	0.8
101.05961	0.2
113.02384	0.5
119.03453	0.2
119.04948	0.5
121.02892	0.3
123.00836	0.4
123.04471	0.9
124.01582	1.5
125.02361	0.9
130.66100	0.2
133.02882	0.4
134.03700	0.5
135.04456	0.3
138.03195	0.3
139.03928	1.1
145.02919	0.2
149.06116	0.3
150.02983	0.2
151.00365	0.2
152.01137	0.5
154.25948	0.2
160.01642	0.7
161.02431	0.6
161.04539	0.2
163.03873	0.2
165.01976	0.4
167.03464	5.7
168.03897	0.2
175.04008	0.6
176.04733	0.2
179.05576	0.2
181.05031	0.2
191.03563	0.5
191.07159	0.3
193.01369	0.2
193.05096	1.0
205.93246	0.2
211.06134	0.5
221.04478	0.2
225.15001	0.2
235.06163	0.8
265.07272	0.3
295.08340	0.5
313.03741	0.7
328.05984	0.4
337.09412	0.6
343.08331	1.0
355.10538	0.4
387.23984	0.3
477.14304	0.2
494.87283	0.2
505.13931	0.6
549.16174	0.3
549.32550	0.4
550.24640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03358	0.5
59.01267	6.2
59.01530	0.5
61.98720	26.2
68.48438	0.4
68.99689	0.5
69.21425	1.4
69.21849	2.7
71.01270	4.5
72.24892	0.3
73.02870	1.0
75.00783	0.8
78.95811	0.4
83.01321	1.1
85.02859	1.9
87.00837	0.3
89.02343	2.6
92.11065	0.4
93.03387	0.6
95.01347	0.6
96.95949	1.2
101.02349	2.9
101.13027	0.4
108.02106	0.4
109.02886	3.5
110.03192	0.3
111.00791	0.4
113.02379	1.8
117.03464	0.5
119.03394	0.4
119.04949	0.4
121.02895	0.7
122.03705	0.6
123.00785	0.8
123.04462	0.9
124.01606	1.8
125.02378	5.5
128.37599	0.4
132.02107	1.9
133.02879	1.7
134.03679	4.7
135.04466	1.2
137.02390	4.0
138.02901	0.3
139.03943	1.9
148.03993	0.9
149.02382	1.1
149.06021	1.3
150.03168	0.9
151.00322	1.5
151.03954	8.5
152.04745	70.9
153.01892	1.1
153.05063	3.3
160.01611	9.4
160.39027	0.3
161.02408	4.7
161.04555	1.3
165.05476	0.9
166.02678	0.5
167.03456	1.5
167.07101	10.3
168.07428	0.5
175.03984	10.5
176.01105	0.4
176.04414	0.5
177.01930	1.2
177.56387	0.4
178.02692	10.3
178.99809	0.6
179.03339	1.1
179.05597	0.5
179.07066	0.4
181.01337	0.7
181.08653	0.8
193.05055	22.3
194.05411	1.3
196.03763	45.2
197.04147	2.6
199.03999	0.5
202.80940	0.4
205.05124	0.4
207.06622	1.0
210.05302	1.3
211.06123	100.0
212.06465	5.2
221.15576	0.5
225.05551	2.4
225.07693	1.6
226.06201	0.8
229.01349	0.5
241.08781	6.7
257.00848	0.7
275.05548	0.6
285.04114	2.2
303.05185	2.8
304.05399	0.4
323.07816	1.4
337.09317	5.6
338.09473	0.7
355.10303	1.0
367.10223	0.4
369.26257	0.5
373.11490	12.3
374.11697	1.6
387.13367	1.1
387.23523	0.4
387.27701	3.4
517.13489	0.9
531.15015	1.0
534.13751	0.6
549.16022	29.9
549.32855	6.1
550.16638	4.3
550.33148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18800	0.1
52.20863	0.2
59.01266	0.4
67.59255	0.2
70.06691	0.7
77.03852	2.0
89.76058	0.2
93.03358	0.5
99.71902	0.1
121.02879	100.0
122.03216	4.4
122.04061	0.4
137.02368	0.3
145.08215	0.2
147.04469	0.2
148.18935	0.2
160.51338	0.2
165.01894	53.6
166.02231	2.1
180.05804	0.4
181.06555	3.1
183.79727	0.2
191.03455	0.3
197.06082	2.4
207.04526	0.7
207.08086	0.2
214.98627	0.2
223.04053	0.4
225.05580	1.6
238.25290	0.2
251.07124	0.3
257.09723	0.6
285.09387	0.3
295.06302	0.2
301.08719	0.2
313.07346	1.2
314.07620	0.2
326.39828	0.2
339.08698	0.2
342.21658	0.2
357.06308	0.8
373.10895	0.2
383.07623	0.4
417.09857	1.5
418.10159	0.4
505.11633	1.9
506.12039	0.2
549.10529	34.3
550.10864	6.6
550.19342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1264
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
51.74867	0.5
57.03370	0.4
59.01254	2.8
59.86716	0.4
61.98703	1.0
65.00220	0.6
69.36844	4.3
75.42812	0.4
83.01284	0.7
85.02863	1.2
89.02347	1.6
93.03349	1.0
93.69749	0.4
96.95914	2.4
99.00793	0.5
101.02351	1.6
107.01303	1.4
108.02083	0.6
109.02934	0.8
113.02367	0.6
121.02859	0.6
125.02369	1.0
128.03445	1.2
132.02103	1.3
133.02898	0.8
135.00760	1.2
135.04407	0.8
143.04596	1.2
151.00305	2.6
151.03996	0.6
152.01103	0.6
158.75795	0.4
160.00545	0.5
161.02409	1.8
163.00304	0.9
165.05553	1.1
166.02672	0.6
169.01254	0.6
173.04495	0.6
175.03961	0.4
177.02000	0.5
178.99849	1.0
179.03351	0.6
181.04977	1.5
187.04037	0.7
199.03929	0.9
200.04990	0.5
211.04010	1.4
211.35258	0.4
212.04662	0.5
225.07666	0.7
227.03510	29.9
228.03899	2.7
229.05106	2.8
239.03526	0.9
255.03035	65.0
256.03479	8.5
257.04691	2.1
259.06244	1.3
272.08850	0.5
283.02548	1.1
284.03329	100.0
285.03946	22.9
286.04440	1.1
287.05615	0.7
306.07739	2.6
315.40384	0.5
367.30145	0.4
377.59213	0.4
378.61240	0.5
387.14224	1.5
399.07278	1.2
409.44379	0.4
417.08603	0.7
549.12592	78.7
549.29688	2.0
550.12976	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	548.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07924	0.4
52.24028	0.3
53.69309	0.3
57.03346	0.6
59.01272	1.9
61.98720	4.3
62.96301	0.4
63.47215	0.4
67.16074	0.3
69.34657	0.9
69.35066	2.3
71.01265	2.1
78.56104	0.3
78.95796	41.6
83.04930	0.5
89.02343	0.5
95.04968	0.6
95.96074	1.9
96.96861	5.9
97.02877	0.5
97.06504	1.5
101.02370	0.5
109.02905	0.4
109.06521	0.4
111.08073	1.0
113.09619	0.4
115.07584	0.5
122.03728	0.3
122.98453	30.2
123.04414	0.4
125.00009	2.6
125.06010	4.7
126.06816	0.9
127.07568	0.7
141.09154	1.1
150.98007	0.8
151.00534	0.3
151.01599	2.2
151.11201	0.4
151.69604	0.3
152.99530	28.7
155.10757	0.8
163.11151	0.7
165.12836	2.1
167.10751	0.6
167.14359	0.6
168.04269	4.1
171.00595	1.3
175.11157	0.4
177.12793	1.2
179.01057	0.3
179.14369	2.3
181.02696	1.5
181.08682	0.7
181.12315	1.9
182.05807	1.3
183.13918	1.3
184.14322	0.4
193.12328	0.8
195.13815	2.1
197.02167	0.8
199.03754	0.4
201.58382	0.4
203.10814	0.4
209.15414	0.5
211.13412	1.5
221.11826	2.3
224.06902	3.1
225.14912	1.6
239.12915	2.6
240.13660	0.7
242.08034	7.4
243.08533	0.5
247.20747	1.1
252.13826	0.7
253.14481	2.2
254.15201	2.5
255.15630	0.5
261.22293	1.9
273.18686	0.6
279.02740	0.4
286.14478	0.5
287.20215	0.8
291.19748	12.2
292.20071	1.4
295.22754	0.5
305.21277	18.3
306.21613	2.1
308.19904	0.4
309.20749	4.6
310.21021	0.4
311.22357	0.6
312.22653	1.3
323.22351	100.0
324.22687	11.8
445.20087	1.2
461.19937	0.4
463.21164	5.3
464.21222	0.9
474.44571	0.4
478.22418	0.8
479.23956	0.4
489.22656	5.7
490.23157	1.3
496.09247	0.4
548.30078	44.8
549.22327	0.6
549.30469	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	547.314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33817	0.4
59.01001	0.4
59.01273	5.3
61.98716	3.0
68.20063	0.4
71.01274	4.3
71.52811	0.7
73.02824	0.8
78.95789	2.0
83.01283	0.6
85.02846	0.7
87.00757	0.8
89.02342	3.3
96.95860	0.4
99.00821	0.4
101.02338	4.0
111.00782	0.5
111.77098	0.4
113.02366	2.2
113.09638	0.6
115.07568	0.8
119.03422	1.1
120.75704	0.3
125.09641	0.4
127.07536	0.4
128.43951	0.4
134.91377	0.4
152.99522	1.4
156.46127	0.3
161.04498	1.8
167.14381	2.2
171.10222	0.7
183.13878	0.9
195.13892	8.8
196.14214	0.7
209.11890	0.8
211.13353	0.8
213.14996	0.8
241.14493	0.5
242.15215	0.8
249.22018	0.4
253.09352	16.3
254.09514	0.5
265.21811	0.9
267.23431	0.6
275.20291	0.7
283.22906	0.5
293.21301	7.5
294.21704	0.6
311.22363	100.0
312.19049	0.6
312.22699	11.8
338.68457	0.4
547.31464	6.1
548.31635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68887	0.3
57.03345	0.6
58.00476	0.6
59.01268	7.3
61.98721	1.6
69.03343	0.4
69.97085	1.6
70.99068	0.3
71.01276	6.4
71.33058	0.3
73.02834	1.1
75.50554	0.4
78.95795	2.9
83.01278	0.8
85.02863	1.9
87.00777	0.8
87.62964	0.3
89.02346	6.2
95.01289	0.7
98.20535	0.6
99.00803	0.4
99.08068	0.4
101.02347	6.0
113.02369	2.8
113.09650	0.8
116.96423	0.3
119.03422	1.3
119.49613	0.3
125.02351	0.5
125.09656	0.9
126.10022	0.3
127.11277	0.4
129.09166	1.3
131.03441	0.6
139.11224	0.5
141.12799	0.4
151.11211	0.5
152.99541	4.8
153.12776	0.6
161.04524	1.9
163.11229	2.5
165.12785	0.7
167.10762	0.6
167.14351	1.0
168.11476	0.9
169.12309	0.7
171.00598	0.3
171.10269	0.5
179.05559	0.9
181.12320	1.6
182.13072	0.6
183.13971	0.7
193.12361	0.4
195.13777	0.3
197.11819	2.7
199.13405	1.2
206.16855	0.3
209.62743	0.3
211.13423	5.1
212.13603	0.3
239.23793	0.3
249.22304	2.5
253.09334	23.7
254.09697	1.7
275.19919	0.4
291.19904	0.7
292.20038	0.5
293.21310	61.1
294.21634	6.8
295.22495	0.4
303.59592	0.4
309.20880	1.4
310.21103	2.1
311.22357	100.0
312.22708	11.9
317.21347	0.5
465.22690	1.1
547.31476	7.9
548.31787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90992	0.6
55.01763	2.9
57.03327	2.5
59.01000	1.0
59.01269	15.5
61.98723	10.1
69.03342	0.8
71.01275	32.8
71.52525	1.3
72.99184	2.2
73.02837	16.5
75.00748	2.0
78.95806	1.1
78.97512	0.7
83.01279	7.6
83.14873	0.6
85.02847	14.9
87.00739	1.9
89.02344	9.3
91.98408	0.7
95.01283	1.4
96.95905	0.8
97.02821	1.7
99.00784	7.3
101.02351	27.2
108.04932	0.8
111.00768	1.5
113.02361	13.3
115.03878	1.9
123.04444	1.4
125.02356	2.8
128.03458	0.7
131.03456	1.9
143.03384	1.9
143.04510	1.4
149.04500	1.8
151.99484	0.7
153.05501	1.5
159.02921	2.4
160.01622	1.7
161.04492	8.6
171.10185	0.8
175.03955	1.8
233.06642	1.6
255.02591	0.7
292.70877	0.7
306.07806	0.8
311.22397	2.7
323.22415	1.1
355.21347	16.8
356.21954	0.8
367.24915	0.8
368.42523	0.7
368.54718	0.8
385.26129	1.3
439.12271	0.8
447.22684	0.9
487.25601	100.0
488.25998	15.7
547.24268	1.2
547.32446	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	547.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.9
57.03337	3.9
59.01267	21.0
61.98720	8.5
64.20228	1.1
69.03365	2.2
69.40098	10.5
71.01274	43.2
71.04918	1.4
72.99200	3.6
73.02840	13.6
75.00783	1.9
79.05418	1.3
81.03350	4.3
83.01284	4.8
85.02850	21.5
87.00768	1.9
89.02347	8.1
93.03379	3.1
93.06975	1.9
95.01286	5.2
95.04929	1.9
96.95947	1.3
97.02870	3.3
99.00800	5.0
101.02351	26.1
107.04929	1.3
108.02115	1.9
109.02855	4.7
110.16473	1.2
111.04453	6.5
113.02361	21.8
113.05987	2.2
119.03419	2.0
119.04975	2.7
119.08578	4.6
121.02878	2.2
121.06519	3.3
122.03678	2.9
123.00811	29.4
123.04413	3.4
124.01593	85.4
125.02326	7.2
125.06004	10.4
135.04466	3.2
136.05254	4.5
137.02393	3.4
137.09644	1.6
138.03163	16.3
138.06776	2.2
139.00281	1.9
139.03951	52.8
139.07564	8.7
140.04356	1.8
143.03458	1.9
145.02936	2.0
145.06537	2.9
146.02464	1.4
148.05199	1.7
149.02396	2.0
149.06056	1.4
150.02962	1.4
150.06799	2.2
151.07594	14.3
152.08296	5.1
153.01891	1.5
153.09186	3.7
158.24521	1.4
158.33997	1.1
159.02960	5.5
159.11765	2.1
161.02441	2.4
161.04517	32.8
161.05846	2.8
161.09665	4.8
163.07628	4.8
165.05420	1.9
165.09196	1.5
167.03481	4.1
167.07133	1.5
167.10619	1.3
178.02713	1.2
179.03481	4.1
179.05658	1.6
181.05017	1.9
185.09712	3.7
188.08379	1.3
189.05550	7.2
189.09167	4.0
193.05026	1.4
195.10287	2.3
201.12845	48.7
202.09964	3.5
202.13182	3.4
203.10764	12.6
204.11549	24.1
205.11974	2.2
209.60110	1.2
217.12308	3.4
219.13913	72.9
220.14232	6.2
227.10818	3.7
230.09552	7.8
239.09273	17.3
240.09532	2.1
245.11874	52.4
246.12225	5.4
253.10812	1.4
262.08417	2.1
263.12949	100.0
264.13260	9.3
265.10788	1.7
301.09387	11.0
369.21985	1.6
385.26147	7.6
390.17950	1.3
407.17422	9.0
482.77756	1.3
547.21576	11.4
547.31226	18.7
548.19214	1.3
548.31415	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	547.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48533	1.1
54.96212	0.9
55.01763	2.3
57.03338	16.5
59.01273	9.6
59.41945	0.7
59.86983	0.8
61.98719	5.8
67.01768	0.9
69.03337	1.2
71.01273	34.2
71.04924	0.8
71.48070	2.0
72.99208	1.2
73.02838	11.2
75.00761	3.5
78.95786	2.4
81.03365	1.3
83.01278	5.5
85.02856	14.3
87.00777	1.0
89.02338	3.7
93.03365	3.1
93.06995	2.5
95.01294	5.0
96.95287	1.4
96.95918	24.8
96.96867	3.5
97.02847	4.9
97.06503	0.9
99.00793	4.5
99.04401	1.2
101.02351	22.3
107.04930	2.2
108.02079	1.8
109.02859	5.0
109.06522	1.0
110.00008	1.0
111.00806	2.8
111.04430	5.1
113.01621	1.2
113.02367	17.4
118.42902	0.8
119.01292	1.6
119.08566	3.0
121.02074	1.3
121.02882	19.7
121.06498	1.9
122.03638	1.2
123.00808	60.3
123.04379	1.7
123.08055	2.1
124.01593	100.0
125.02325	4.5
125.06015	9.9
129.01865	1.0
134.03645	1.1
135.04459	2.6
135.08081	1.7
136.05238	4.0
137.02370	3.7
137.09590	1.1
138.03163	23.5
138.06799	2.3
139.00359	2.2
139.03949	76.6
139.07568	6.0
140.04282	1.7
143.03397	2.3
143.87508	0.8
145.02855	1.5
145.06491	2.2
147.00847	0.9
147.08104	1.0
148.05208	1.4
149.02397	4.9
150.03210	5.5
151.03964	1.6
151.07591	16.1
152.04703	1.2
152.08397	4.7
153.01883	1.5
153.09157	2.9
157.10178	1.1
159.02936	2.5
159.11705	2.4
161.04510	27.1
161.09642	3.7
163.03957	2.1
163.07581	2.8
163.11172	1.5
164.03593	0.8
164.04739	4.9
165.05415	2.0
166.02654	1.4
175.00375	5.4
175.03975	1.2
175.07594	0.9
177.01866	1.5
177.05545	1.2
177.12865	1.0
179.03529	1.7
179.05518	2.1
179.07103	43.5
180.07466	1.9
181.05090	4.8
185.09647	3.3
188.08365	1.1
189.05496	4.3
189.09134	2.8
190.02695	17.4
191.03186	0.9
193.04984	2.0
194.02234	5.4
201.12839	41.5
202.09842	1.6
202.13132	3.0
203.10771	9.1
204.11554	20.6
205.03647	1.1
205.05067	22.0
205.11845	1.8
206.05547	1.1
208.03615	1.0
209.04576	6.5
217.12302	2.1
219.13913	65.3
220.14366	5.2
223.06187	5.1
227.10776	2.5
230.09514	5.8
243.13878	1.1
245.11871	47.2
246.12151	4.7
247.09683	1.1
263.12946	93.5
264.13293	8.3
287.12927	1.8
301.09387	27.1
302.09747	1.7
329.13907	1.4
359.15109	1.0
367.10422	40.6
368.10764	3.2
407.17245	8.7
490.90768	0.8
495.61630	0.9
547.22113	27.5
547.30151	1.4
548.21820	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	546.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.2
61.98721	100.0
67.08114	0.4
69.76211	1.3
69.76621	0.8
71.01277	0.6
75.47765	0.3
77.08175	0.3
78.95807	1.3
85.02866	1.5
93.03378	0.7
96.95949	0.5
101.02367	0.5
113.02303	0.4
122.78172	0.3
152.99507	0.7
157.40108	0.3
181.12335	0.5
191.05594	29.5
192.06001	1.4
230.66605	0.4
249.81453	0.3
253.09418	0.9
291.19852	1.4
309.20773	12.3
309.24271	0.6
310.21271	1.6
311.22342	4.1
462.68768	0.4
483.26450	1.7
547.31433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29153	3.4
69.29558	0.7
78.95799	6.0
81.38833	0.4
82.52859	0.3
85.40018	0.3
96.96852	0.5
140.01122	2.4
152.99542	0.6
196.03769	1.1
214.04781	2.2
280.51300	0.4
349.27563	100.0
350.27899	13.5
546.32104	13.6
547.33081	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.4
57.03330	1.1
59.01264	9.3
61.98719	0.7
67.36582	0.3
69.03336	0.5
71.01273	7.5
71.53734	0.3
71.54117	0.3
72.99214	0.6
73.02852	1.5
75.00756	0.3
78.95807	0.9
83.01278	0.8
83.04934	0.3
85.02847	2.2
87.00768	0.9
89.02341	5.6
95.01261	0.4
95.04951	0.5
96.95878	0.3
97.02863	0.5
97.06500	1.6
99.00775	0.5
99.08037	0.3
101.02349	8.5
107.04951	0.3
109.06480	0.4
111.08061	0.6
113.02357	3.9
113.09610	1.8
115.07556	1.4
119.03401	1.5
119.27232	0.2
123.04427	0.3
125.06003	0.4
125.09638	0.3
129.77345	0.2
131.03439	0.3
132.65181	0.3
139.11220	0.5
141.09143	1.1
143.03426	0.6
149.04417	0.3
151.11241	0.5
153.12772	0.4
154.09900	0.4
158.76546	0.3
161.04497	3.0
165.09140	0.3
165.12810	2.4
167.10736	0.5
167.14403	1.7
177.12738	0.2
179.05507	0.8
179.14445	0.5
181.12332	2.9
183.13930	0.4
185.11816	0.3
188.54088	0.3
193.12335	1.6
193.15930	0.5
195.13896	2.0
209.11780	0.8
211.13409	2.3
213.14958	0.5
219.17918	0.3
221.15459	2.1
229.14473	0.8
235.08139	0.4
240.13686	0.9
241.14455	0.8
245.19044	0.4
247.20702	4.1
248.21051	0.4
253.09329	25.8
254.09683	1.8
255.16051	0.4
263.20197	0.8
265.21808	0.6
273.18735	3.0
281.21231	1.5
289.18152	0.3
290.18649	0.4
291.19727	35.7
292.20108	3.9
307.19333	0.6
308.19598	0.4
309.20773	100.0
310.21109	10.2
311.22327	0.8
383.24194	0.5
476.22470	0.3
545.29791	19.6
546.30219	3.7
558.76788	0.3
573.27393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
57.03317	0.9
58.00467	0.5
59.01266	8.7
61.98697	0.8
63.84310	0.2
68.84799	0.2
69.03328	0.7
69.27385	2.6
71.00897	0.4
71.01272	6.9
71.04884	0.4
72.99187	0.4
73.02823	1.0
78.95774	0.4
80.02579	0.3
81.03329	0.5
83.01267	0.8
83.04891	0.5
85.02853	1.3
87.00756	0.8
88.42777	0.3
89.01828	0.3
89.02341	5.7
91.03864	0.3
91.59232	0.2
94.03964	0.2
95.01286	0.5
97.02843	1.1
97.06487	0.4
98.03663	0.3
101.02352	7.2
109.06518	0.2
110.03648	0.4
111.08054	0.5
113.02373	3.2
115.29759	0.3
119.03400	1.6
123.04443	0.5
123.08065	0.7
125.02366	0.5
125.05982	0.6
125.09665	1.2
127.11186	0.3
131.03387	0.4
137.09650	0.5
141.12808	0.4
143.03378	0.5
148.08844	0.2
149.09595	0.4
151.11142	0.2
153.12802	0.6
156.56314	0.2
161.04504	2.9
161.09685	0.3
162.10487	0.4
163.11234	3.6
165.09114	0.8
165.12813	6.1
166.09929	0.5
166.13063	0.3
167.14371	0.5
170.58992	0.3
177.12790	0.5
179.05557	1.0
179.14398	2.2
181.12337	2.4
182.12985	0.3
185.11896	0.4
189.12888	0.3
191.14462	0.3
193.15962	2.2
194.16237	0.3
197.11870	1.3
207.10205	0.6
209.11885	1.2
219.17619	0.3
221.11719	0.2
223.13432	2.6
226.32071	0.2
235.08238	0.3
247.18163	0.4
247.20714	8.0
248.21057	0.8
253.09335	27.4
254.09645	1.0
270.62811	0.2
273.18689	2.0
291.12912	0.6
291.19739	80.0
292.20090	7.9
309.20792	100.0
310.17529	0.5
310.21140	9.6
378.51981	0.2
447.90442	0.3
499.29565	0.3
545.30164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30236	0.1
54.44230	0.1
55.01770	0.4
57.03339	0.7
58.00487	0.4
59.01267	7.5
60.95000	0.1
61.98717	0.3
65.31064	0.1
67.52181	0.1
69.03338	0.5
71.01276	6.3
71.04901	0.1
71.62773	0.2
71.68714	0.1
71.78876	0.1
72.99227	0.3
73.02847	1.0
78.95802	0.2
83.01279	0.7
83.04910	0.4
85.02847	1.7
85.06490	0.1
87.00781	1.0
89.02342	6.2
91.03920	0.1
95.01273	0.6
95.04933	0.4
96.34621	0.2
97.02859	0.7
97.06497	1.6
98.03681	0.1
99.00769	0.3
99.04432	0.2
99.08068	0.3
101.02358	6.9
107.04892	0.1
109.06499	0.3
111.08076	0.8
113.02364	2.9
113.09634	1.7
115.03965	0.2
115.07590	1.2
119.03429	1.5
119.08454	0.1
119.30092	0.1
123.00775	0.1
123.04462	0.2
123.08070	0.2
125.02375	0.3
125.06047	0.3
125.09644	0.3
126.06783	0.4
127.07526	0.4
128.08272	0.1
129.01854	0.2
131.03426	0.3
133.04942	0.2
137.09686	0.4
139.07521	0.2
139.11226	0.6
141.09146	1.1
143.03458	0.7
149.09628	0.2
150.10384	0.2
151.11238	0.6
153.09195	0.1
153.12787	0.3
155.10783	0.1
161.04527	2.8
163.11266	0.4
165.12796	3.2
167.10718	0.4
167.14383	2.0
169.12274	0.2
171.10300	0.2
175.11168	0.2
177.09178	0.2
177.12756	0.2
179.05621	0.8
179.14449	0.3
179.71750	0.2
181.12323	3.1
182.12575	0.2
183.13881	0.6
193.12343	1.2
193.15971	0.6
195.13892	2.0
197.11810	1.9
203.14427	0.2
209.11812	0.5
211.13397	3.3
212.13683	0.2
213.14941	0.7
217.16008	0.3
221.15503	2.0
227.12985	0.4
229.14449	0.9
231.17557	0.3
235.08223	0.4
237.14925	0.2
237.22331	0.3
239.12868	0.2
240.13681	0.9
241.14433	0.6
242.15254	0.2
245.19173	0.2
247.20700	3.5
248.21156	0.2
253.09340	21.0
254.09642	1.0
255.16002	0.2
263.20261	0.8
265.21744	0.6
273.18704	2.6
274.18979	0.2
281.21259	1.4
283.02606	0.3
291.19745	35.2
292.20062	3.6
309.20798	100.0
310.21152	10.0
310.23917	0.2
311.22363	0.6
383.24219	0.2
385.26190	0.3
455.51340	0.2
476.22592	0.4
518.07153	0.2
545.29822	15.8
546.30151	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	20.0
60.99201	4.2
61.98708	23.6
69.03376	4.3
71.01279	13.3
71.54285	4.6
72.99201	59.3
75.00771	8.5
81.03349	21.5
83.04919	57.9
88.98705	48.2
89.02342	10.4
89.99070	7.6
90.01868	9.5
90.99148	6.4
91.00262	38.9
93.03350	4.6
96.95919	54.1
98.02393	6.8
101.02360	4.7
107.30337	3.9
109.02846	4.7
123.00807	5.7
124.01591	9.0
125.02361	5.2
125.07101	7.2
139.00432	3.7
151.00258	7.1
152.01099	5.3
153.01894	5.7
169.01405	3.8
188.71710	3.4
195.02983	5.3
207.15024	6.1
224.17722	10.8
225.16087	29.5
255.05193	10.4
282.95410	4.0
287.02060	5.6
289.03412	4.2
316.02338	9.8
317.56046	4.6
333.22955	22.8
351.24005	11.3
369.25211	10.1
433.31839	4.7
434.66785	4.3
447.29816	32.5
448.30347	12.1
449.31467	65.7
450.31680	35.2
451.33026	100.0
452.33459	21.2
463.09088	7.6
465.30969	47.6
466.31491	20.7
478.26279	4.6
483.32062	12.8
509.10083	4.6
543.03943	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	543.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73491	0.1
59.01267	100.0
60.01604	1.0
65.40799	0.1
68.86600	0.1
70.41116	0.5
75.00420	0.1
81.83152	0.1
135.96436	0.1
145.02936	0.2
168.31734	0.1
175.49529	0.2
220.03860	0.1
363.56818	0.2
499.31238	0.2
508.93814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60958	0.6
58.66832	0.7
59.01266	100.0
60.01599	0.7
61.98729	1.5
63.09987	0.6
69.54080	0.6
69.54465	5.2
71.01288	2.0
73.02853	1.3
74.02403	1.0
78.95806	1.3
79.95647	3.0
80.78580	0.7
80.96419	4.2
85.02850	1.2
87.00813	0.7
101.02383	2.2
113.02410	1.1
125.02371	1.1
128.03464	3.0
134.97487	0.8
143.04591	3.4
152.99539	1.9
161.02444	1.1
161.04521	1.5
168.22032	0.7
179.04683	0.7
186.62479	0.6
210.08974	0.9
211.85832	0.8
223.08224	7.0
225.00816	1.4
254.08011	1.4
272.09055	1.0
277.21786	37.6
278.21997	4.0
306.07797	3.7
347.26172	0.8
468.66309	0.7
544.28052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
56.72491	1.6
57.03352	1.6
58.00475	3.3
59.01266	46.7
61.98716	7.1
62.89419	1.3
65.71844	1.3
67.17719	1.4
69.03346	2.0
70.22712	2.2
70.23105	4.0
71.00907	2.7
71.01274	39.1
73.02834	7.0
78.95773	3.3
81.03352	3.0
83.01266	2.4
85.02848	6.2
87.00779	4.1
89.02341	61.5
93.36971	1.7
95.01270	2.9
96.95911	4.6
96.96848	4.1
97.02850	4.8
99.00780	16.4
99.04356	2.0
101.02355	41.6
109.02897	1.4
109.06499	2.5
111.00796	1.7
113.02344	13.8
119.03452	7.9
121.06505	2.1
123.04464	1.9
123.08067	2.3
125.02332	7.7
125.09618	3.2
131.03427	9.7
137.02374	2.0
137.09612	3.5
143.03421	4.7
145.96361	1.5
149.04510	67.1
161.04514	10.9
163.11281	8.3
165.12758	1.8
171.10083	1.6
173.41734	1.4
179.05597	5.0
179.10663	1.3
185.11795	6.3
191.05647	10.6
191.14359	8.1
207.10216	5.2
217.16029	2.2
219.13960	7.2
221.06624	9.6
225.11342	6.1
245.19101	15.2
246.19395	2.0
251.07834	8.1
253.09334	33.0
254.09877	2.0
271.17111	2.8
289.18182	100.0
290.18460	9.1
293.08829	1.8
307.19238	49.8
308.19595	5.1
311.09933	7.6
323.09793	2.7
543.22137	41.2
543.29523	4.3
543.33801	4.6
544.22400	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	543.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46284	0.3
55.01766	0.8
57.03336	2.1
58.00481	0.6
59.01268	14.7
61.98727	0.7
67.01776	0.4
69.03355	0.9
69.22182	3.5
71.01272	11.5
72.61829	0.3
72.99199	1.1
73.02840	1.8
75.00767	0.3
78.95802	0.8
80.02573	0.6
81.03352	1.9
83.01267	2.6
83.04913	1.7
84.56412	0.3
85.02850	3.1
87.00785	1.6
89.02341	10.6
91.03880	0.5
94.98956	0.3
95.01296	1.1
95.04932	1.4
96.95889	0.4
97.02853	2.4
97.06492	5.4
98.06811	0.4
98.19844	0.6
99.00790	0.8
101.02352	11.8
106.04148	0.6
107.04914	0.4
109.02872	0.5
109.06514	1.2
110.03624	0.5
111.04446	1.1
113.02370	4.7
113.06058	0.4
119.03437	3.3
119.04905	0.3
119.08600	1.0
121.06483	1.8
121.10146	0.5
123.04433	3.0
123.08067	1.6
123.60284	0.3
125.02373	0.6
125.06031	0.6
125.09651	5.4
127.07602	0.5
131.03479	0.5
135.08096	1.0
136.05217	0.4
137.02388	0.4
137.06039	0.5
137.09654	3.2
139.03949	1.1
139.07617	0.3
139.11284	0.4
141.09126	0.7
141.12784	1.0
142.02681	0.5
143.03427	0.8
145.05112	0.3
147.08127	0.4
149.06075	0.6
149.09592	0.4
150.10457	0.4
151.11250	0.7
152.99550	0.9
160.08899	0.6
161.04507	5.1
161.09688	0.5
163.07573	0.7
163.11249	7.2
164.08511	0.4
165.09114	0.8
165.12782	2.3
167.10707	0.4
171.10197	0.7
173.09673	0.4
174.01646	2.2
174.10429	0.4
175.11227	1.0
177.12856	0.8
179.05557	2.0
179.10745	0.7
181.12334	1.3
183.13846	0.3
185.11804	6.4
189.12901	0.4
191.10715	1.0
191.14403	8.9
191.48578	0.3
192.06117	0.3
192.14743	0.5
193.12285	0.7
202.13548	0.4
207.10269	3.9
209.11832	19.0
210.12166	1.1
211.13435	2.0
215.14471	0.4
217.15971	1.1
219.10176	0.3
225.11339	3.2
226.11845	0.5
227.18013	0.7
235.08321	1.1
237.11349	14.1
238.11737	1.1
243.17570	0.5
245.19151	16.5
246.19499	1.9
253.09334	42.8
254.09717	2.1
263.20206	5.8
264.20340	0.5
271.17163	2.5
281.21396	1.2
289.18170	83.0
290.18506	9.4
291.19550	0.3
302.44754	0.3
307.19226	100.0
308.19559	11.6
325.20392	0.7
461.19980	0.5
525.27466	1.0
543.28302	6.5
544.29016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34544	0.6
57.02987	0.5
58.90504	0.6
59.01265	1.3
61.98721	25.6
69.34134	4.5
71.01273	1.1
81.14850	0.6
85.02866	0.5
89.02351	0.8
96.95934	1.0
101.02408	0.7
108.02107	1.1
113.02327	1.0
115.97247	0.5
125.02420	0.8
151.00287	1.2
153.02002	0.9
178.99925	0.7
184.02960	0.5
227.03491	2.2
243.03049	4.5
252.88643	0.5
254.02277	1.2
255.03069	14.6
256.03229	1.4
271.02563	28.0
272.02985	3.8
299.02011	8.4
300.02838	100.0
301.03247	9.1
314.04285	0.7
315.05200	70.5
316.05557	6.3
317.72247	0.6
378.29565	0.6
444.24930	0.5
457.24918	0.6
462.08319	2.4
477.10513	80.9
478.10892	12.1
539.34473	2.2
540.34894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79972	0.8
59.01257	1.3
61.98693	1.0
71.01276	7.4
71.55670	1.1
73.02829	0.9
77.40146	0.6
78.95775	1.0
78.98484	6.5
79.95625	7.3
80.66279	0.7
80.96411	56.5
81.03350	1.0
85.02850	3.0
87.00770	2.1
94.97984	14.7
96.95879	0.9
97.02847	1.3
101.02341	2.8
104.56005	0.6
106.98004	2.9
122.97509	4.3
125.02350	4.0
134.97513	4.6
136.99051	2.1
146.11423	0.8
148.99065	5.0
152.98531	6.6
152.99548	1.2
164.98558	8.8
165.95671	0.8
178.83621	0.7
182.99631	2.5
206.99684	2.3
225.00771	18.6
241.21747	3.1
243.01839	2.2
245.04320	1.3
299.04358	3.3
317.92020	0.8
369.74197	0.8
462.94687	0.8
481.24759	0.8
497.28925	1.3
541.27032	100.0
542.27350	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	541.3164
Annotation	Milbemycin A4
Peak:m/z	Relative Intensity
59.01258	14.2
61.98720	52.8
71.01275	12.9
71.54130	4.7
73.02842	3.7
75.88756	2.6
77.46479	2.5
78.95802	3.6
83.01221	2.3
85.02869	3.7
89.02336	8.0
93.03382	4.5
96.95933	4.3
101.02340	7.2
113.02366	4.6
119.03416	3.1
119.04920	3.5
120.68267	3.0
123.04465	3.4
149.04558	3.0
153.05496	2.7
179.03442	7.7
209.11821	5.9
221.56963	2.9
270.96249	2.4
271.89716	3.5
285.07852	7.9
287.16690	3.7
305.17651	13.1
379.12039	3.8
379.21335	8.2
489.83392	3.2
505.34122	22.8
506.34021	4.9
541.31775	100.0
542.32440	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	540.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.8
57.03314	3.5
58.00477	2.0
59.01269	32.8
60.01583	1.6
61.98718	47.1
69.29567	9.3
71.01269	30.3
72.01574	1.6
72.90362	1.0
72.99173	2.3
73.02843	8.7
75.00774	1.2
83.01266	2.9
85.02840	12.4
87.00746	1.5
87.04432	1.6
88.98736	1.2
89.02342	22.4
95.01308	2.2
96.95871	1.4
98.20567	2.4
99.00776	2.3
101.02361	19.7
102.02715	1.3
113.02364	11.7
116.92796	2.7
119.03426	11.0
123.08035	1.3
125.02337	2.0
139.96828	1.1
143.03403	1.5
151.00346	1.9
153.09109	2.0
161.04468	2.5
167.10620	1.5
169.12248	1.2
179.05591	4.5
187.13333	2.3
197.51251	1.2
201.14929	1.2
216.13669	1.2
217.14413	1.9
227.03374	1.5
243.02954	2.8
255.02837	1.3
258.01450	1.4
271.02567	31.3
271.05499	2.1
272.02887	4.1
299.02051	59.8
300.02728	20.1
301.03192	2.4
315.05215	36.2
316.05591	2.4
360.04489	2.8
375.27512	3.4
377.29187	34.4
378.29517	9.9
434.31833	1.4
462.08264	12.0
463.08499	1.6
477.10498	100.0
478.10925	16.2
539.34454	86.8
540.10883	3.8
540.34784	38.5
541.11194	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03329	2.5
59.01268	41.6
61.98722	9.2
68.00548	0.9
69.03329	1.0
69.39941	7.1
71.01273	28.4
72.46077	0.8
72.99186	2.3
73.02838	14.9
73.88472	0.8
75.00768	1.4
83.01286	4.3
85.02357	1.2
85.02850	16.1
89.02339	6.7
90.61960	0.8
95.01278	3.1
95.62572	0.8
96.95890	2.1
99.00774	3.8
101.02351	18.7
102.02711	1.1
108.02119	1.1
109.02869	1.0
111.00790	2.5
113.02366	12.0
117.77444	0.9
118.01613	0.8
119.03430	2.2
121.02864	1.4
122.03693	0.8
123.00792	7.3
123.04427	3.8
124.01609	6.4
124.02390	1.2
125.02360	3.9
137.02472	1.0
138.03116	2.3
139.00233	1.1
139.03964	4.7
153.01830	1.7
153.05515	3.0
159.02913	2.6
161.04469	6.7
167.03438	2.5
169.01364	0.8
169.04871	1.0
179.05559	1.5
181.12206	1.3
183.13933	1.3
201.05602	1.3
211.13394	43.3
212.13722	3.3
219.06543	1.5
253.09473	5.0
255.16045	15.0
256.16418	1.2
315.25568	1.5
317.13943	2.7
317.27094	4.2
319.07513	0.9
373.15314	1.0
377.15652	2.3
447.22586	5.6
479.32367	100.0
480.32767	15.0
539.16077	1.2
539.25470	1.1
539.33685	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19289	0.5
55.01644	1.6
55.01932	0.9
56.86778	0.5
57.03225	0.7
57.03498	1.0
57.51794	0.4
59.01141	8.0
59.01473	3.6
69.45708	2.3
69.46135	1.5
71.01135	11.0
71.01577	3.3
72.99058	1.5
72.99444	0.8
73.02691	4.2
73.03137	1.0
75.00661	0.6
83.01120	4.1
83.01660	0.9
85.02688	7.4
85.03265	1.4
85.99876	1.0
87.00623	1.6
88.98583	0.8
89.02171	2.1
89.02721	1.0
91.63074	0.5
93.03245	1.0
93.03778	0.5
95.01119	1.5
95.04843	0.5
96.95747	1.8
97.02699	0.5
98.20493	0.8
99.00615	2.2
101.02171	13.1
101.02908	2.0
108.01957	0.6
109.02696	0.7
111.00671	0.8
113.02172	4.4
119.03236	1.6
121.02672	4.2
122.03451	4.5
123.00681	0.9
123.04243	6.7
124.01347	0.8
125.02241	1.0
132.01929	1.1
133.02672	6.0
134.03502	1.1
135.04289	0.9
136.01456	0.9
137.02171	1.5
139.00079	1.5
139.03816	0.6
141.01738	0.6
145.02788	0.6
147.04323	0.7
149.02176	28.5
149.03497	1.8
149.05826	2.0
150.02942	37.0
151.03470	1.6
153.01759	0.8
153.05290	8.1
157.67136	0.5
159.02853	0.9
161.04353	1.3
161.05762	0.8
162.03003	0.8
163.03833	0.5
164.04738	5.0
165.01701	0.9
165.05298	30.2
166.05957	4.2
167.06894	1.0
180.03996	2.1
181.08673	5.9
188.37137	0.6
195.06621	10.0
196.06758	0.9
197.07794	0.5
225.61177	0.5
259.67868	0.5
266.40656	0.5
273.11832	0.5
314.11667	6.5
315.12054	1.8
329.14044	13.1
330.14169	1.6
332.09036	0.9
341.10300	0.5
343.14114	12.0
344.14255	1.3
347.11307	1.4
357.15622	0.6
371.42343	0.6
377.12506	3.0
491.19360	100.0
492.19672	14.9
506.02048	0.5
521.20544	0.6
539.21539	22.7
540.21851	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2645
Annotation	(-)-Gypsetin
Peak:m/z	Relative Intensity
54.88067	1.0
57.03325	1.4
59.01255	3.4
59.41170	0.9
61.98706	3.6
71.01286	2.4
78.95802	13.1
87.57832	1.0
95.72412	1.0
96.95900	1.7
96.96851	1.3
113.09608	1.1
115.07570	1.3
127.07571	1.3
128.03458	2.2
143.04567	2.5
152.99533	18.6
167.14346	4.4
171.00557	2.4
183.13881	2.3
195.13905	19.4
196.14189	1.8
207.10208	1.4
209.11786	1.0
211.13313	2.2
213.14911	2.0
217.00304	1.9
241.14639	1.3
242.15317	1.6
245.04361	3.0
265.21802	1.1
267.23349	1.4
284.03516	0.9
293.21326	12.9
294.21396	1.1
306.07809	1.4
311.22369	100.0
312.22757	9.7
374.99216	1.3
539.26398	71.7
540.26727	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	539.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51730	0.2
55.01778	1.7
57.03341	2.6
58.00478	1.6
59.01267	29.8
61.98724	1.3
66.76759	0.3
69.03367	0.6
71.01275	28.6
71.37249	0.5
72.01643	0.3
72.99197	1.6
73.02840	8.1
75.00777	0.6
83.01286	3.7
83.37641	0.2
85.02848	10.6
87.00774	1.4
87.04406	1.3
89.02340	19.6
90.02684	0.3
95.01283	2.5
97.06503	0.4
99.00807	2.1
101.02353	19.5
102.02694	0.4
103.03951	0.3
109.06552	0.6
111.00820	0.5
111.08109	0.3
113.02364	11.0
113.09651	0.8
114.02676	0.3
116.92780	1.6
119.03431	7.7
123.08096	1.2
129.01862	0.4
131.03438	0.4
137.09663	0.4
141.09193	0.6
143.03479	1.4
143.10725	0.7
149.04515	0.4
153.09174	1.5
159.03003	0.6
161.02429	0.6
161.04523	2.5
167.03441	0.4
167.10805	0.5
169.12338	0.5
173.11787	0.7
179.05579	2.5
181.12059	0.3
187.13365	3.4
203.12996	0.4
209.71257	0.3
216.13727	0.9
217.14435	3.3
224.81606	0.2
231.15919	0.3
246.99586	0.3
271.02664	0.3
299.02060	0.4
311.22418	0.3
331.25024	1.3
359.28085	0.9
375.27679	4.2
376.27982	0.5
377.29172	40.8
378.29483	4.4
477.10654	0.3
477.14584	0.3
501.24030	0.3
513.75653	0.3
539.34485	100.0
540.34845	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	538.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.6
59.41852	0.1
60.01596	0.2
61.98720	100.0
62.98428	0.1
69.32590	1.1
71.01282	0.8
72.99207	0.1
73.02821	0.2
74.61449	0.1
75.00761	0.2
85.02841	0.3
87.58221	0.2
88.98714	0.2
89.02364	0.5
98.20666	0.2
101.02355	0.7
102.02708	0.2
103.03938	0.2
106.98923	0.1
113.02387	0.2
114.63329	0.2
119.03495	0.2
123.04427	0.2
125.02425	0.3
130.99023	0.1
135.04552	0.2
137.02394	0.2
139.00313	0.8
145.02905	0.3
147.03169	0.1
154.02702	0.6
161.04633	0.2
162.01894	0.4
163.02295	0.2
163.06216	0.2
164.02400	0.1
167.10776	0.6
168.11153	0.6
169.05040	0.8
169.11256	0.2
170.05415	0.3
173.06120	0.3
177.05617	0.2
201.05647	0.5
219.06609	0.2
317.13959	0.2
458.58273	0.1
479.32477	0.4
497.26129	0.1
538.20630	0.2
538.28174	0.2
539.22803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.5
57.03351	1.1
58.00484	1.1
59.01270	19.1
70.44176	1.1
70.44533	1.4
71.01276	16.2
72.99219	1.4
73.02834	3.9
75.00763	0.9
83.01285	3.5
85.02846	7.9
85.99960	0.6
87.00814	0.9
89.02338	7.8
93.03374	3.1
95.01311	1.3
95.04971	0.7
96.95938	1.5
97.02887	0.7
99.00806	1.9
101.02363	12.1
102.02705	0.6
108.02100	0.8
109.02914	0.7
111.00837	0.8
113.02360	6.0
116.92776	3.4
119.03445	3.7
121.02893	6.8
122.03674	12.7
123.00880	0.8
123.04467	1.5
125.02403	2.3
133.02882	5.3
134.03682	1.6
135.04361	0.6
136.01601	1.3
137.02380	2.3
145.02925	0.8
147.04413	0.8
149.02399	29.6
149.06082	1.2
149.19872	0.5
150.03185	100.0
151.03477	3.8
159.02945	0.5
161.02441	1.0
161.04529	1.9
162.03192	3.8
164.04785	5.7
165.05540	98.0
166.06146	7.8
167.03461	0.7
167.07054	0.8
177.01941	0.7
177.05585	3.3
179.05583	0.8
180.04269	6.4
181.04939	1.0
181.08687	7.0
195.06624	37.3
196.06940	1.8
228.51462	0.6
278.77823	0.6
314.11612	4.8
315.12268	0.8
324.30606	0.6
329.13992	8.9
330.14221	0.6
343.10199	0.9
343.14059	10.8
344.14392	1.0
357.15622	0.7
362.13681	0.6
377.12115	1.1
377.16190	1.7
422.95242	0.7
453.03268	0.5
491.19376	69.4
492.19598	10.5
509.69974	0.6
521.20490	0.5
539.21661	10.4
540.21558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94706	0.3
55.01771	0.4
57.03317	0.9
59.01263	5.7
61.98717	2.5
63.96119	0.8
69.03333	0.6
70.03235	1.8
71.00294	0.3
71.01273	10.5
72.01602	0.5
72.99200	0.6
73.02840	2.7
75.00777	0.5
78.95795	0.6
78.98486	5.7
79.95628	9.8
80.96412	59.8
81.03338	0.8
83.01276	1.1
85.02839	3.7
87.00784	2.6
88.98712	2.5
89.02358	1.9
93.03355	0.5
94.97987	15.4
95.01321	0.7
96.95927	3.8
97.02855	1.6
99.00784	1.2
101.02356	5.5
106.97997	3.4
108.02077	0.8
109.02874	0.5
113.02370	2.0
121.02861	0.5
122.97512	5.7
123.00807	0.5
123.04469	0.5
124.01591	0.5
125.02367	3.9
127.03938	0.9
134.97519	4.0
136.99097	1.4
139.03938	1.0
143.03476	0.5
145.02861	0.7
148.99089	6.1
152.98564	7.7
152.99533	0.4
161.02365	0.8
161.04459	0.9
163.04027	0.4
163.67130	0.4
164.98590	12.1
167.00166	0.9
167.03461	1.3
169.05037	0.6
175.03899	0.6
179.05690	0.4
179.07147	0.6
182.99677	2.7
188.98514	0.3
193.12166	0.5
197.04570	0.5
206.99684	4.2
209.11951	0.6
211.13393	6.7
225.00745	24.0
226.00961	0.8
226.73286	0.4
227.12830	0.6
243.01813	2.1
284.23422	0.4
285.17239	1.0
299.04507	3.7
317.05649	0.4
357.15567	0.4
358.15817	0.6
375.07584	0.4
375.27301	0.8
376.07703	0.6
376.27982	0.7
377.12555	0.5
424.20898	0.4
461.56274	0.4
503.15912	0.7
511.18674	36.2
512.19043	4.8
537.32947	11.8
538.19812	100.0
538.32391	18.7
539.19995	16.0
539.32635	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	538.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84715	0.1
59.01263	0.7
61.98720	100.0
62.98423	0.2
66.72148	0.1
69.33994	0.2
69.34396	1.2
169.91301	0.1
201.05779	0.3
214.19611	0.1
220.59958	0.1
255.03058	0.2
270.05252	0.2
283.02728	0.3
284.03012	0.5
285.03192	0.6
286.03473	0.3
298.05057	0.2
299.05344	0.4
300.05405	0.5
301.05957	0.2
313.07339	0.4
314.07672	0.7
315.07986	0.6
316.08038	0.7
328.34631	0.2
478.13568	0.3
537.37805	0.3
538.11182	0.1
548.15527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3295
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01763	0.7
57.03336	1.5
58.00478	0.6
59.01268	11.9
61.98717	2.0
63.96119	0.3
69.00819	0.2
69.03339	0.6
69.36343	2.0
69.36762	0.6
71.01274	12.2
72.99199	1.3
73.02840	3.4
73.86768	0.2
75.00766	0.8
75.51888	0.3
78.95790	0.3
78.98472	1.4
79.95628	2.6
80.96414	14.4
81.03350	0.4
83.01286	2.3
83.04928	0.3
84.54366	0.2
85.02848	5.9
87.00779	1.7
89.02341	5.0
93.03355	0.5
94.97992	4.0
95.01262	1.2
96.95917	2.6
97.02863	0.7
99.00806	1.3
101.02348	9.3
106.97993	1.2
108.02076	0.3
109.02844	0.5
111.00815	0.6
113.02371	4.0
117.03378	0.5
119.03443	1.4
119.04886	0.3
121.02866	0.7
122.97478	1.4
123.00806	0.6
123.04435	0.7
124.01585	0.6
125.02378	2.3
125.09673	0.3
127.11198	0.3
134.97487	1.1
137.02359	0.6
137.09663	0.5
139.03958	4.6
143.03407	0.4
145.02910	2.8
146.03334	0.5
147.03247	0.2
148.99109	1.8
151.03996	0.3
152.98582	2.0
155.10712	0.7
159.02914	0.3
161.02426	0.4
161.04491	1.1
163.03889	0.5
164.04640	0.3
164.98579	2.9
167.03461	1.7
169.01553	0.4
169.05037	5.1
170.05396	0.4
175.03983	0.3
179.05603	0.5
179.07051	0.5
181.04930	0.3
182.99779	0.5
184.04005	0.4
185.04485	0.3
193.05028	0.5
195.06656	0.3
198.05434	0.3
206.99678	0.8
209.11816	0.6
211.13383	1.8
225.00766	6.0
225.14870	1.4
243.01749	0.4
245.00970	0.5
246.01740	0.4
257.01013	0.7
258.01727	0.5
265.21777	0.8
273.59546	0.2
274.01303	0.7
283.22906	0.8
285.00519	0.8
286.01230	0.8
288.02930	0.4
299.04504	0.9
300.99988	0.9
302.00778	1.1
303.05197	0.3
314.13617	0.6
316.02328	0.8
317.03021	2.0
329.27048	1.1
330.14383	0.5
331.04431	0.5
332.05463	1.4
339.14310	0.6
345.02518	0.5
356.15228	0.8
357.15366	2.3
357.26752	1.2
358.26828	0.3
359.04135	1.3
360.04929	2.8
361.05484	0.4
375.07257	8.3
375.14697	0.8
375.27591	2.9
376.07574	0.9
376.27728	0.5
450.22647	1.3
477.23517	0.6
493.20801	0.6
511.18698	9.3
519.20209	0.8
519.32159	0.6
537.12958	3.6
537.32965	100.0
538.19928	25.4
538.33075	16.4
538.41718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2482
Annotation	Okaramine P
Peak:m/z	Relative Intensity
57.03336	1.2
59.01254	3.2
61.18260	0.8
61.98706	1.8
70.13734	0.8
71.01258	1.4
71.59352	1.1
78.95367	1.7
78.95798	20.9
96.95934	1.1
96.96864	1.6
97.05388	0.8
97.06498	1.8
98.03630	1.3
99.08061	1.0
113.09604	2.7
115.07565	2.5
122.04865	0.8
125.05978	1.9
139.11223	1.2
141.09102	1.8
151.11275	0.9
152.99541	19.7
165.12822	6.3
167.14337	3.0
171.00562	4.5
181.12305	6.2
182.12672	0.9
183.13902	1.7
193.12308	2.6
195.13847	2.3
197.11861	1.1
211.13457	5.7
213.14964	0.9
221.15460	2.4
227.03232	1.2
240.13791	1.9
245.04378	3.2
247.20692	5.7
263.20248	0.9
273.18741	4.2
281.21176	2.6
291.19751	40.5
292.20096	3.8
293.21207	2.7
294.21701	3.4
306.21951	0.9
309.20789	91.4
310.21173	10.5
312.22665	3.3
347.79489	0.9
378.13257	0.9
530.22675	0.9
537.24774	100.0
538.25049	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	537.3297
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.31548	0.3
51.54481	0.3
55.01770	2.6
57.03336	2.1
58.00476	2.7
59.01266	43.8
60.01609	0.8
61.98728	1.0
69.03340	0.7
70.29564	1.2
71.01273	39.2
71.04906	0.5
72.01618	0.7
72.99188	2.0
73.02838	14.0
75.00774	0.9
81.03381	0.4
83.01279	4.0
83.33868	0.3
84.02110	0.3
85.02844	13.4
86.03194	0.3
87.00790	2.1
87.04429	1.2
88.98724	0.5
89.02340	27.3
90.02665	0.5
95.01294	2.6
96.95924	0.8
97.02855	0.4
97.06490	0.7
98.19805	0.3
99.00781	2.4
99.04412	0.4
101.02351	25.0
102.02696	0.9
108.02072	0.3
111.00782	0.6
113.02357	13.3
113.09636	0.8
114.02724	0.5
119.03428	10.2
120.05648	0.3
121.02885	0.5
121.10160	4.4
123.08076	1.1
125.02341	0.7
125.09663	0.8
129.01868	0.4
131.03429	1.2
137.02321	0.3
137.09622	1.6
139.00281	0.8
139.07619	0.3
139.11140	0.5
141.09142	0.7
143.03421	1.9
143.10704	1.9
149.04477	0.8
149.48592	0.3
151.11256	0.6
152.01178	0.5
153.01880	1.4
153.09198	1.4
154.02702	0.5
155.10722	1.1
157.12270	0.4
159.02951	0.8
161.04488	2.9
161.09641	0.4
163.03899	0.3
163.11270	0.4
164.04741	0.3
165.09219	0.9
167.10732	1.8
168.04272	0.3
169.12280	0.9
173.11801	1.1
175.00436	0.5
179.05595	3.7
179.10793	1.9
181.12283	0.6
182.99394	0.4
185.11758	0.4
187.13356	3.0
190.02679	1.0
191.03513	0.4
199.13405	0.4
203.12889	0.5
205.05135	0.9
215.12868	0.5
216.13721	1.5
217.14458	22.3
218.14719	1.7
223.05917	0.3
236.49767	0.4
313.23795	0.7
315.25455	1.6
327.12332	0.4
345.26474	0.6
357.26447	1.2
357.38931	0.3
373.26282	0.6
374.26102	0.3
375.27603	33.3
376.27835	4.9
379.19638	0.4
408.89722	0.3
461.90649	0.3
477.23279	0.7
507.31873	0.5
527.58411	0.3
537.32916	100.0
538.33282	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	537.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.6
60.95280	0.1
61.98724	0.7
63.18147	0.1
65.00212	0.7
65.03845	0.1
69.03336	0.1
69.24950	0.6
69.25374	0.4
71.01276	0.6
72.99185	0.1
75.00773	0.9
77.03873	0.1
80.02566	0.4
81.03339	0.2
85.02860	0.2
89.02350	0.7
89.53498	0.1
91.01800	13.1
91.57162	0.1
92.02115	0.5
95.01286	0.8
96.95946	0.1
97.02886	0.1
99.00777	0.2
101.02338	0.3
107.01296	0.3
107.04948	0.5
108.02085	16.4
109.02898	3.7
110.03178	0.1
111.00771	0.2
113.02364	0.2
119.03344	0.1
121.02901	0.7
123.00814	4.8
124.01685	0.7
124.02508	0.1
125.02372	0.4
131.03474	0.1
131.97032	0.1
133.07335	0.1
135.00819	13.4
136.01161	0.5
137.02383	2.9
139.00328	0.2
145.02998	0.2
146.02400	0.2
147.03247	0.4
148.03503	0.1
149.02382	0.1
149.04465	0.1
152.01106	15.9
153.01648	1.0
154.02573	0.2
162.01942	1.5
163.02272	0.6
163.03548	0.1
169.05069	0.2
169.06569	0.2
179.10861	0.1
197.06091	1.3
198.06479	0.1
199.05922	0.1
199.07591	0.5
213.05598	1.0
215.07204	0.8
223.09698	0.1
225.05493	0.3
233.06688	0.4
241.05054	0.3
242.05768	0.2
243.06670	100.0
244.07001	7.4
269.13589	0.1
293.08890	0.5
297.06244	0.1
318.57751	0.1
329.14221	0.1
338.14053	0.2
339.14362	0.3
356.15002	0.2
357.15408	0.3
375.27216	0.1
398.93500	0.1
429.10501	2.1
430.10742	0.2
435.93097	0.1
477.18857	0.2
489.19391	0.2
537.16193	9.0
537.33374	0.2
538.16608	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
55.32241	0.6
55.46161	0.5
57.03320	1.3
58.00475	1.4
58.82802	0.6
59.01266	21.2
61.98703	2.2
69.03333	2.1
71.01272	27.7
71.56283	0.8
72.01596	0.6
72.99184	1.5
73.02843	8.1
81.03357	1.6
83.01287	3.0
85.02850	9.1
87.00775	2.2
89.02341	23.4
90.02662	1.1
91.01807	3.4
93.03356	2.0
95.01281	2.6
96.95915	7.3
97.02846	2.6
99.00774	5.4
101.02347	14.4
107.01288	0.9
108.02084	5.7
109.02874	10.0
109.99957	0.9
111.00775	2.6
113.02370	9.1
114.02745	0.6
119.01303	7.5
119.02667	0.6
119.03400	3.7
119.04897	0.6
121.02895	5.5
123.00797	1.3
123.04401	1.8
124.01601	1.1
125.02371	9.5
129.01770	0.7
130.36827	0.6
131.03421	2.6
134.03615	0.6
135.00818	5.5
135.04445	2.8
137.02370	5.3
137.99501	2.0
139.00311	25.8
139.03908	1.7
140.00578	0.8
143.03452	1.4
147.00836	5.1
147.04512	0.7
149.02390	14.3
149.04376	4.1
150.02942	1.0
151.03943	0.9
152.01071	3.4
153.01886	35.7
153.05534	1.1
154.02670	23.4
155.03322	2.4
159.02870	0.8
161.02386	1.3
161.04520	5.3
163.03961	3.4
164.04738	11.7
165.01825	1.9
165.05524	0.8
167.03441	2.7
168.00571	1.0
168.04254	5.7
168.27496	0.6
169.01332	0.8
169.05031	17.2
173.11909	0.8
175.00337	39.3
176.01062	4.4
177.01738	0.9
177.05548	0.9
179.05626	1.4
179.07108	1.8
189.01888	1.1
190.02701	96.6
191.03311	9.9
191.05530	1.4
193.04974	0.8
194.02271	0.8
195.02942	0.7
197.06017	3.1
205.05058	100.0
206.05435	6.1
208.03741	1.9
209.04527	1.6
213.05574	1.0
216.13512	0.7
223.06107	14.2
233.06676	4.7
243.06650	5.8
293.08929	5.1
297.06277	1.2
307.08472	0.7
337.09329	1.0
342.12604	0.6
346.73874	0.7
352.08206	0.8
353.08728	3.4
354.09247	0.6
367.10440	31.8
368.10699	3.4
373.26172	1.2
374.26443	3.3
375.07349	0.8
375.23752	2.5
375.27924	5.0
419.23172	0.7
429.10446	9.2
430.10788	1.2
522.14050	0.9
536.31854	6.7
537.16333	80.1
537.33374	19.8
538.16583	13.2
538.29626	0.7
538.33600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.9
59.01263	2.1
61.98702	1.0
66.62138	0.6
69.65390	4.8
71.01260	1.1
71.04900	3.0
74.18900	0.6
80.96407	1.4
81.03365	0.9
83.04918	1.1
95.04948	0.8
96.95951	0.9
97.02849	2.7
97.06487	2.2
99.00784	17.1
99.01434	1.0
103.25950	0.6
106.04128	0.6
109.06519	1.7
111.08073	1.1
123.04442	1.0
123.08089	1.3
125.09656	6.2
127.07581	0.8
127.11194	1.1
128.03514	0.8
135.08095	0.7
136.05267	0.6
139.07617	0.6
143.04633	0.7
149.06010	0.6
151.11235	1.3
153.12811	3.1
155.10724	0.6
158.31853	0.6
161.09691	1.1
163.11253	7.2
164.11548	0.8
167.10721	1.2
169.12340	1.1
179.10762	1.1
181.12321	19.0
182.12733	1.2
197.11858	2.9
199.13391	5.7
201.11307	2.5
207.08340	1.2
207.10280	21.0
207.13901	1.8
208.10605	1.5
209.11763	1.1
215.12991	1.7
225.11342	35.6
226.11815	3.0
227.12926	1.3
228.13651	1.0
243.12422	44.9
244.12819	3.1
245.18869	0.6
247.20613	3.6
248.55002	0.6
263.20135	0.8
273.18707	2.0
281.21329	1.1
282.34399	0.6
289.18170	1.1
291.19739	21.3
292.20078	2.5
306.07663	1.1
307.19208	1.3
309.20801	100.0
310.21182	11.7
393.19778	1.9
407.24347	1.1
455.31854	0.7
499.30490	1.7
517.31842	7.6
518.32379	1.1
535.32971	28.4
536.33313	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	536.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98080	0.3
53.80447	0.3
56.62247	0.3
59.01269	5.0
61.98723	1.3
65.99757	0.4
70.24950	0.3
71.01275	4.3
71.11262	0.7
73.02827	0.3
78.95807	0.9
81.03371	0.7
85.02862	0.9
87.00790	0.4
89.02345	3.9
95.01302	0.6
96.95917	0.4
98.11236	0.3
99.00807	0.7
101.02367	1.5
107.01295	0.8
109.02863	1.5
113.02347	1.4
116.64938	0.3
118.02906	4.6
119.03450	1.6
120.04475	0.6
121.02885	0.6
123.00819	1.5
125.02379	1.3
127.11942	0.3
133.01669	0.5
135.00827	9.8
136.01488	0.5
146.02441	10.2
147.03215	44.5
148.03618	1.9
151.00372	0.3
152.01160	0.3
152.99599	0.4
153.01884	3.3
159.04498	0.3
160.04034	0.8
161.01178	4.7
161.04547	0.6
162.01936	100.0
163.02286	4.8
172.05263	0.8
176.03531	0.6
177.01971	0.4
179.05649	0.6
187.02750	0.4
188.04764	0.3
200.04817	0.4
211.13383	0.4
213.04224	0.5
237.04088	1.7
239.67944	0.3
242.32188	0.3
245.04337	0.3
257.15509	0.9
264.05231	1.5
267.13849	0.4
283.13580	0.8
294.15051	1.0
297.06192	5.4
301.14529	1.8
310.14536	0.9
311.13007	1.4
324.07281	3.9
325.07999	1.6
328.15540	2.5
329.13937	5.4
330.14520	0.7
338.14041	6.3
339.14447	0.7
356.15115	12.6
357.15408	1.7
374.15289	0.4
536.21497	14.8
537.21478	2.6
552.07312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3288
Annotation	Dihydrosanjoinine A
Peak:m/z	Relative Intensity
57.03327	2.0
59.01264	2.3
63.75421	1.2
64.66376	1.1
65.32809	1.1
67.01768	1.7
69.03345	15.6
71.01270	2.9
71.04909	3.3
71.53176	1.9
75.72345	1.3
78.95795	2.4
83.04933	2.1
84.85194	1.0
84.87819	1.2
97.02859	1.7
97.06517	2.0
99.68636	1.5
102.45224	1.2
105.20483	1.2
111.08041	1.3
123.08105	3.5
125.09641	6.9
129.09099	1.3
149.09636	3.0
151.11211	12.7
153.12805	5.7
161.09669	24.3
169.12308	2.3
179.10745	63.3
180.11078	2.9
181.12273	8.6
197.11821	69.7
198.12160	3.5
205.97752	1.2
223.09717	5.5
241.10855	50.7
242.11189	3.0
275.78940	1.2
293.21323	10.5
294.21463	1.3
309.20795	3.5
311.22354	50.9
312.22766	6.4
312.79614	1.5
444.01901	1.2
473.32813	2.1
485.33176	1.7
517.31873	4.5
535.32922	100.0
536.33282	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	535.3294
Annotation	Fungicide K 99-5278A
Peak:m/z	Relative Intensity
52.18910	1.1
57.01932	1.2
57.03339	2.2
59.01258	4.0
61.98740	1.8
63.29384	1.1
69.03358	1.7
69.59442	1.3
71.01262	1.8
71.04911	2.9
71.53114	2.5
78.95794	3.7
80.96432	1.8
81.03372	1.2
83.04900	1.6
95.04939	1.6
97.02888	6.0
97.06492	3.9
99.00784	17.3
104.31418	1.2
109.06486	3.9
111.08083	2.9
123.04421	1.6
125.09638	9.2
128.03432	1.6
135.08125	2.4
136.05235	2.3
142.02663	4.8
149.09586	1.5
152.99519	3.3
155.10732	4.0
155.14488	1.5
163.11232	11.3
164.11470	1.4
164.98967	1.7
165.12796	2.6
169.12341	1.5
171.10194	3.4
181.12308	28.7
183.13831	1.8
197.11783	12.7
199.13391	14.9
200.13921	1.4
201.11360	8.0
207.10265	47.8
208.10461	3.1
208.70328	1.2
209.11734	2.8
211.13417	3.6
225.11333	85.8
226.11554	7.4
227.12894	2.8
243.12415	100.0
244.12770	7.2
247.20764	3.6
265.18179	1.4
272.09161	1.4
273.18469	1.7
289.18088	2.3
291.19705	35.0
292.20038	4.0
307.19077	4.0
309.20786	79.0
310.21188	8.9
325.20255	2.5
327.21817	5.9
333.20908	1.7
415.85284	1.4
416.90533	1.3
448.08478	1.6
499.31033	1.9
517.31476	7.5
535.32867	53.0
536.33374	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	535.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.8
57.03340	1.3
57.58121	0.2
58.00475	0.7
59.01266	10.5
61.98719	100.0
62.98428	0.3
68.02426	4.6
69.02782	0.6
69.03342	0.4
69.49841	1.7
71.01273	8.7
71.04903	0.5
72.99200	0.9
73.02843	2.7
75.00777	0.5
78.95847	0.2
83.01276	1.8
83.04934	0.3
85.02852	3.9
86.03185	0.2
87.00789	0.7
89.02331	3.9
95.01283	0.9
96.95943	0.8
97.02871	0.3
99.00765	1.1
101.02344	6.4
102.02651	0.3
108.02092	0.9
109.02888	0.8
111.00749	0.2
111.08064	0.2
113.02356	3.0
117.03365	0.2
118.02910	0.5
119.03429	1.5
121.02893	0.4
123.04408	0.5
125.02411	0.6
125.09698	0.2
126.99515	0.5
127.11246	0.6
127.99839	0.2
128.99199	6.6
129.99544	2.4
135.04498	0.3
135.11664	0.2
137.09673	0.8
143.03471	0.4
145.02893	1.5
146.02382	0.3
151.04073	0.3
152.01091	1.1
153.01849	0.5
153.05551	0.3
155.10744	1.2
159.02940	0.3
159.74124	0.2
161.02432	0.4
161.04514	1.0
162.01945	1.3
163.03909	0.3
167.03415	2.4
168.04163	0.3
169.12279	0.4
171.13808	0.2
179.05637	1.3
179.06950	0.3
183.06595	0.5
197.15497	0.2
199.13432	0.4
202.46754	0.2
212.37822	0.2
226.05046	0.4
227.07133	0.3
266.15433	0.2
279.23254	1.0
281.24918	0.5
291.23245	0.3
293.24908	0.4
297.24573	0.3
309.24472	0.4
327.25720	0.4
329.14206	0.3
338.14093	0.8
343.24966	1.8
346.07819	0.2
355.24899	1.5
356.15234	0.7
357.26547	4.1
358.26837	0.5
373.21954	0.3
373.26062	3.0
374.26303	0.4
377.60016	0.2
475.15265	0.2
475.29221	0.3
505.30273	1.9
506.30539	0.3
508.12537	0.4
517.30627	0.5
535.31421	67.2
536.31805	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	535.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.2
57.03342	2.0
58.00476	2.0
59.01269	35.9
60.01606	0.5
60.17222	0.4
61.98721	20.8
63.11271	0.4
67.65739	0.3
69.03322	0.5
71.01273	32.8
71.56255	0.6
72.01592	0.4
72.99201	2.6
73.02835	9.2
75.00784	0.8
78.95802	0.5
79.95653	0.4
81.03349	0.4
83.01285	3.6
83.13111	0.4
84.02058	0.5
85.02844	11.8
87.00777	2.7
87.04431	0.9
89.02343	22.7
90.02700	0.4
95.01301	2.9
96.95919	2.6
97.02866	0.7
97.06486	1.0
99.00784	1.8
101.02354	22.5
103.03911	0.9
104.72529	0.4
108.02075	0.8
109.02845	0.6
111.00786	0.6
113.02360	11.7
113.09683	0.6
115.07571	0.4
119.03427	11.3
121.02879	0.7
121.10143	1.2
121.50697	0.4
123.00809	1.1
123.04427	1.6
123.08043	0.7
124.01582	0.6
125.02362	1.5
125.09660	0.7
129.01880	0.5
131.03456	0.9
133.02884	0.8
134.03677	2.1
135.04478	0.7
137.02371	0.7
137.09657	0.9
138.03067	0.4
139.00269	0.7
139.03978	0.5
139.07532	0.7
143.03418	1.7
143.04495	0.6
145.02907	0.6
146.02419	0.9
148.76888	0.4
149.04543	0.6
149.06050	0.5
151.11250	0.9
152.01093	0.9
153.00700	0.5
153.01889	2.5
153.05501	1.5
153.09146	1.3
155.10689	0.6
159.02914	1.0
160.01584	0.9
161.02405	1.2
161.04495	2.5
161.05646	0.4
162.03142	0.5
163.00214	0.5
163.03958	0.5
165.05562	0.4
165.09038	0.5
166.02779	0.5
167.03430	0.7
167.10732	1.1
168.04262	2.0
169.12289	0.6
173.11800	1.1
175.03967	1.6
177.01807	0.8
178.02614	1.2
179.03450	0.5
179.05592	3.2
181.12355	0.5
185.02393	1.4
185.11839	1.6
186.02986	0.4
187.13412	2.1
188.07155	0.4
190.02792	0.5
191.03505	1.0
191.05562	0.5
192.04315	0.9
193.05008	2.7
195.06551	0.6
197.04523	0.6
201.01892	0.5
202.02724	1.2
202.12013	0.5
203.12935	0.6
205.05032	0.5
207.06525	0.6
211.06062	0.5
215.12917	1.4
216.13680	4.7
217.14381	1.2
229.01416	9.7
230.02142	3.2
242.02199	0.6
243.02994	1.7
244.03378	0.5
245.17612	1.1
257.00961	12.5
258.01736	10.8
259.02377	3.0
271.02609	2.7
272.03345	3.2
273.04108	10.3
274.04428	1.1
306.07776	0.6
313.23877	0.7
319.22925	0.8
327.07376	1.1
329.14011	0.5
337.09564	0.9
337.23978	1.2
341.09067	1.0
355.24930	3.1
356.25461	0.5
373.26035	29.6
374.26297	3.5
378.19388	0.7
420.07205	0.7
435.09390	8.4
436.09839	1.5
475.22617	0.6
477.10403	9.0
478.10617	1.5
517.13062	2.0
517.30573	0.8
518.13867	0.5
535.14514	20.5
535.31384	100.0
536.15021	4.0
536.31714	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	535.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28402	0.3
52.33801	0.3
55.01784	0.5
57.03341	0.9
58.00486	0.3
59.01264	8.3
59.36382	0.3
61.98723	1.3
69.47821	0.3
71.01269	11.2
71.54278	0.4
72.01604	0.3
72.99220	0.9
73.02833	3.0
83.01294	1.7
85.02847	4.8
87.00793	0.8
89.02340	4.9
93.03360	0.4
95.01318	0.8
96.95907	1.4
96.96856	0.4
97.02857	0.5
99.00798	1.4
101.02348	8.3
108.02065	0.3
108.35178	0.3
109.02894	0.7
111.00776	0.4
113.02358	4.0
117.03378	24.4
118.03719	1.1
119.03491	1.8
119.04942	6.6
120.05258	0.3
121.02869	0.9
123.00743	0.3
123.04441	0.4
124.01508	0.3
125.02369	1.8
126.02729	0.4
130.60139	0.3
130.91913	0.3
131.03441	0.4
133.02905	0.9
135.04463	0.8
137.02359	0.4
139.03947	0.4
143.03493	0.6
145.02885	100.0
146.03227	5.2
147.04457	0.5
149.02397	0.4
149.04462	0.3
151.03864	0.5
152.01143	0.3
152.04713	2.3
153.01860	0.4
159.02931	1.1
159.04305	0.4
160.01558	0.7
160.05219	0.4
161.02396	3.2
161.04478	3.5
162.01950	1.2
163.03964	7.1
164.04424	0.3
165.05537	0.4
167.03436	0.7
167.07043	0.3
175.03931	0.7
179.03485	0.6
179.05537	1.7
184.03981	3.7
188.04764	1.1
193.05019	1.0
195.06595	0.3
196.03780	1.4
197.04506	0.3
197.11662	0.4
198.05586	0.6
211.06090	3.1
213.04300	0.4
221.11803	1.0
233.06752	0.3
239.12839	0.5
241.12228	0.5
253.09238	0.3
273.11383	0.6
300.02597	0.8
301.14410	0.3
311.12820	2.2
312.12433	0.8
313.13345	2.1
315.04980	0.6
323.07629	0.5
329.14011	3.2
337.09183	0.4
338.13910	0.9
355.24716	0.5
356.15109	7.6
373.11609	1.6
373.22247	4.8
373.26196	0.8
374.11649	0.4
374.22635	0.7
385.13013	1.4
415.23282	0.7
425.97153	0.3
475.21994	0.6
477.10266	0.7
503.15869	0.3
517.13483	0.6
535.25458	65.1
536.25885	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	535.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.9
57.03337	4.3
58.00483	3.9
59.01268	56.0
60.01609	0.7
61.61190	0.2
61.98728	1.9
64.72285	0.3
67.68156	0.2
68.99715	0.3
69.03352	1.6
71.01273	85.4
71.04910	0.4
71.60274	0.5
72.01620	1.1
72.99207	4.8
73.02840	20.8
74.03166	0.5
75.00780	1.5
75.24039	0.2
81.03355	0.9
82.18562	0.2
83.01281	11.4
84.01620	0.3
84.02065	0.6
85.02848	31.4
86.00043	0.3
86.03198	0.7
87.00777	5.3
89.02341	45.4
90.02689	0.6
93.03379	0.3
95.01285	6.3
96.95912	0.4
97.02862	2.9
99.00782	7.8
99.04456	0.3
101.02351	74.5
102.02674	1.4
109.02874	0.9
111.00809	1.2
111.04427	0.3
113.02361	31.4
114.02706	0.8
115.03945	0.6
119.03424	17.9
120.03730	0.4
121.02866	1.0
123.00819	2.0
123.04437	0.6
124.01604	0.3
125.01447	0.4
125.02374	7.7
126.02741	0.6
129.01886	1.0
131.03426	3.1
133.02876	0.6
134.03659	0.7
135.04443	1.0
137.02406	0.5
137.09682	0.8
138.03169	0.7
139.00331	0.5
139.03967	0.7
141.01842	0.6
141.09219	0.3
143.03438	6.0
143.04546	0.4
145.02910	0.7
145.05000	0.4
146.02443	0.9
149.02391	1.1
149.04472	1.8
149.05623	0.3
152.01167	0.3
152.04729	0.5
153.01830	0.5
153.05327	0.3
155.03441	0.3
159.02962	5.3
160.01620	1.7
161.02353	1.9
161.04510	33.5
162.01917	0.4
162.04839	1.1
163.03862	0.3
164.04622	0.3
165.01912	0.6
165.05507	0.7
166.99832	1.0
167.03474	1.1
175.00272	0.3
175.03966	2.7
175.62059	0.3
179.05585	15.5
180.05896	0.6
182.02174	3.3
189.05777	0.3
190.02701	0.6
193.01414	0.3
193.05057	0.8
197.04498	2.7
205.03499	1.1
205.05153	0.3
211.06050	0.3
211.17084	1.3
221.06676	4.4
227.07204	0.7
229.01511	0.3
233.06717	0.9
242.02269	0.3
245.06618	1.3
253.18147	0.3
257.01056	0.4
258.01694	0.8
263.07773	2.7
267.27960	0.3
272.03220	0.4
273.04135	1.0
273.11349	1.7
311.13211	0.3
315.05328	0.3
315.83524	0.3
323.10455	2.1
329.14166	0.4
337.09341	2.8
344.05692	0.4
356.15057	1.2
367.10321	0.3
373.22385	64.5
374.22693	7.3
415.23462	9.4
416.23920	1.2
535.27649	100.0
536.27985	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	535.257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41637	0.3
55.01779	0.7
57.03353	1.4
59.01268	16.0
61.62069	0.3
61.98722	1.8
62.74023	0.3
69.03333	0.4
70.60735	1.2
71.01272	15.5
72.99228	1.5
73.02839	3.6
75.00777	0.7
78.95789	0.4
83.01295	2.6
83.04886	0.4
85.02842	6.0
85.03282	0.5
87.00800	0.8
89.02336	7.5
91.01823	0.4
93.03395	0.7
95.01295	1.0
96.95935	1.1
97.02872	0.9
99.00791	1.0
101.02349	12.4
104.62688	0.4
107.04946	0.4
108.02124	0.6
109.02901	1.4
111.00828	0.9
113.02364	5.7
113.03545	0.4
113.05948	0.3
117.03385	26.2
118.03732	1.0
119.03481	2.5
119.04953	7.4
121.02876	7.0
123.00820	1.6
123.04451	1.5
124.01597	1.1
125.02364	5.9
125.06006	0.6
127.00325	0.4
127.49194	0.3
129.01825	0.4
129.44449	0.3
131.03487	0.6
132.02115	2.2
133.02934	0.7
134.03673	7.9
135.04410	1.3
137.02403	3.9
138.03181	1.7
139.00307	1.1
139.03981	1.2
143.03491	0.9
143.04776	0.3
145.02893	100.0
146.03233	4.9
147.04462	1.3
148.05258	0.6
149.02408	1.6
149.04768	0.5
149.05997	3.0
150.03146	0.8
151.03957	1.0
152.01082	0.8
153.01836	1.0
153.05527	4.5
154.02687	0.5
159.02924	0.9
159.04335	0.3
160.01619	12.2
161.02274	1.5
161.04512	5.0
161.06020	1.7
163.03961	7.9
164.04684	1.6
165.01837	0.4
165.05545	0.7
166.99774	1.0
167.03467	1.1
167.10774	2.3
168.00624	0.5
169.05020	0.6
174.03268	0.5
175.03972	15.9
175.07401	0.5
176.04654	2.0
177.01877	0.5
177.05490	0.7
178.02654	1.2
179.03462	0.7
179.05542	2.6
179.07091	3.0
181.01385	0.6
182.02196	2.8
183.02704	0.9
188.04678	0.6
189.05569	0.7
190.02644	0.6
190.06255	0.6
191.07164	2.7
193.05028	7.2
197.04538	16.5
198.05019	0.7
203.07101	0.6
204.28079	0.3
205.05002	1.2
206.05855	0.9
207.06575	0.9
217.05162	0.4
220.03758	0.5
221.06395	0.5
221.08205	1.0
235.06198	1.9
239.05733	1.6
247.02515	0.7
247.05838	0.4
253.07074	1.0
265.07214	0.7
277.07233	0.8
279.06473	0.5
295.08148	1.5
306.07666	0.4
311.09384	0.6
313.13364	0.4
313.91827	0.4
315.12253	1.3
323.07959	1.0
329.13864	1.1
337.09393	20.2
338.09583	1.8
338.13910	1.1
341.06674	0.6
343.11935	8.3
344.12073	0.6
355.08276	6.8
355.24960	0.6
355.59430	0.5
356.08990	1.9
356.15030	1.9
358.10211	0.6
358.14288	8.8
359.14438	1.2
373.16431	28.4
373.22018	5.9
373.26126	1.7
374.16965	3.9
374.22125	0.7
475.28278	0.3
535.25269	67.7
536.14728	0.5
536.16071	0.6
536.25616	12.2
536.32556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.4
58.00471	0.2
58.98753	0.2
59.01271	2.7
60.20849	0.2
61.98725	0.4
71.01271	2.8
73.02853	1.1
83.01301	0.5
85.02836	1.4
87.00766	0.3
89.02345	1.1
93.03387	0.4
94.93750	0.2
95.01286	0.2
98.19772	0.4
99.00780	0.3
101.02352	1.8
102.50836	0.2
108.02094	0.3
113.02383	1.0
116.02592	0.2
117.03383	21.9
118.03724	1.0
119.03526	0.3
119.04951	6.8
120.05246	0.3
121.02865	0.7
123.00816	0.2
123.04417	0.3
125.02391	0.4
133.02890	2.7
133.49648	0.2
135.04457	0.7
137.02374	0.3
139.03879	0.2
139.11244	0.3
145.02893	100.0
146.03226	5.5
148.58487	0.2
153.01904	0.2
161.02396	9.6
161.32677	0.2
162.01907	0.8
163.03967	7.2
164.04379	0.4
167.03442	0.5
167.10643	0.2
179.03413	0.5
179.07123	0.3
183.10260	0.3
196.64549	0.2
215.12813	0.3
227.07111	0.3
243.12384	0.9
285.13440	0.3
302.79636	0.2
312.73819	0.2
338.13998	0.5
343.76541	0.2
345.15836	0.5
355.24979	0.5
356.15057	0.3
357.26538	0.2
373.09286	0.3
373.25916	1.0
374.26462	0.3
405.17490	0.8
441.49191	0.3
535.25372	65.9
535.31360	4.3
536.25848	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	535.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96448	0.2
57.03352	0.5
58.00480	0.4
59.01266	6.3
59.54591	0.2
61.98716	2.1
71.01276	5.7
71.56277	0.5
72.99216	0.8
73.02843	1.9
75.00770	0.4
76.69619	0.2
83.01289	0.9
85.02859	2.3
87.00793	0.8
89.02349	3.4
90.12974	0.2
95.01279	0.3
96.95930	1.7
98.95504	1.0
99.00768	0.5
101.02347	3.9
103.00269	0.3
109.02863	0.4
113.02374	1.8
117.03380	23.6
118.03719	1.0
119.03450	0.7
119.04950	7.6
120.05183	0.3
121.02895	0.9
123.00842	0.4
123.04459	0.3
124.01598	0.4
125.02403	0.7
131.03444	0.4
132.02100	0.8
133.02882	0.4
135.04492	1.8
137.02411	0.5
138.03143	0.3
143.03481	0.3
145.02892	100.0
146.03250	4.8
147.04419	0.3
149.04570	0.3
149.05991	0.5
151.00288	0.3
153.01884	0.3
159.04425	0.3
160.01624	2.9
161.02391	8.5
161.04503	0.6
161.06010	0.3
162.01826	0.4
163.03958	7.1
164.04393	0.3
167.03459	0.8
175.03970	1.2
177.05586	0.6
179.03407	2.0
179.05673	0.3
182.02222	0.4
193.05080	0.3
195.04990	0.2
195.06596	1.4
196.07196	0.2
197.04494	0.4
197.06157	0.3
198.94832	0.3
207.34009	0.2
213.05571	0.4
221.04539	1.0
223.04068	0.2
225.05505	0.4
229.01465	1.0
230.02202	0.3
239.07210	0.3
240.07935	0.4
250.06445	0.3
251.05354	0.5
253.05144	0.5
253.08771	0.4
255.03036	0.5
255.06783	0.3
257.00919	1.0
258.01724	1.3
263.07153	0.3
267.06577	0.5
268.07495	0.5
271.02518	0.5
271.09735	0.4
272.03201	0.6
273.04074	1.0
278.05981	0.5
279.06714	1.9
280.07327	1.1
281.04163	0.3
281.06876	0.7
281.08731	0.4
283.06290	0.4
283.09644	0.7
285.03677	0.6
293.08331	1.2
294.08951	1.1
295.06177	1.8
295.09821	1.0
296.06940	2.4
297.07663	1.1
299.09439	0.6
300.02844	0.6
306.07703	0.3
309.07861	0.5
310.08502	2.9
311.09317	4.0
311.12805	0.5
312.09692	0.5
315.05087	0.6
325.10892	4.4
326.07953	0.4
326.11551	1.5
327.08670	0.8
327.12070	0.3
338.07834	0.6
339.08875	1.3
340.09537	1.1
341.09024	1.5
341.14038	0.6
343.11960	0.5
353.10269	1.0
354.11209	0.5
355.08301	8.2
355.12100	0.6
356.08633	1.3
359.04520	0.3
370.10657	13.2
371.11066	1.7
373.13394	0.6
373.26141	1.5
385.13019	36.8
386.13354	5.9
431.09888	0.4
435.09375	0.3
454.05807	0.3
491.32169	0.3
535.15527	2.1
535.25433	58.1
536.14008	0.5
536.25818	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	535.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20171	0.2
55.01768	0.3
56.66970	0.2
57.03341	0.3
58.00501	0.2
59.01268	2.2
61.98717	0.7
68.14449	0.1
70.62202	0.2
70.62595	0.3
71.01279	2.1
72.99196	0.2
73.02849	0.8
75.00779	0.2
82.47401	0.1
83.01312	0.3
85.02843	1.1
87.00765	0.3
89.02341	0.6
89.03887	0.2
95.01310	0.2
96.95904	0.2
101.02358	1.5
107.04940	0.4
109.02895	0.4
113.02377	0.5
117.03385	24.0
118.02988	0.2
118.03705	0.9
119.03498	0.4
119.04947	6.8
121.02890	0.5
121.06432	0.2
123.04456	1.0
125.02399	0.5
135.00821	0.5
136.05228	0.2
137.02394	0.2
139.03908	0.2
143.03462	0.2
145.02896	100.0
146.03271	5.3
147.03200	1.5
147.04340	0.3
151.03946	3.1
153.05548	0.6
161.04498	0.2
162.01932	4.7
162.03133	0.2
163.03970	6.9
164.04358	0.3
167.03462	0.3
167.10718	0.8
175.60069	0.2
205.04932	0.2
227.07248	0.4
257.15536	0.3
273.07758	1.0
297.06320	0.2
301.14432	0.2
310.14572	0.3
311.12900	0.3
324.07532	0.2
325.11124	0.2
329.13980	0.5
338.14078	1.6
340.09598	0.3
343.11868	1.0
355.11908	0.5
355.24768	0.2
356.15149	2.3
373.12820	0.3
373.25787	0.3
385.12909	0.2
456.77090	0.2
477.14157	0.3
535.25513	54.5
536.26141	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	535.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.1
57.24198	0.9
58.00485	3.8
59.01269	100.0
59.11604	0.8
59.98387	1.0
60.17448	0.8
69.03339	1.9
71.00900	1.7
71.01277	26.9
71.01611	1.9
71.01936	1.2
72.99206	5.7
73.02841	21.9
75.00742	1.1
81.03348	1.4
83.01286	2.9
85.02855	13.5
86.00003	1.8
87.00771	9.9
87.04431	3.0
89.02343	33.1
95.01283	1.8
97.02831	1.3
99.00762	1.6
99.04424	1.2
101.02358	39.8
103.03921	19.6
107.04942	0.8
109.02866	0.9
113.02368	6.2
115.03944	4.9
119.03435	21.9
123.00763	0.9
125.02374	4.6
127.03951	2.5
131.03441	7.2
135.00795	1.0
143.03461	10.2
145.02913	3.6
145.05009	6.5
147.03217	3.1
147.11768	0.9
153.07739	0.9
162.01926	9.8
163.06094	71.1
164.06441	3.3
167.10750	44.3
168.11090	2.1
191.10770	11.0
205.07190	14.2
209.11842	3.9
219.87495	0.8
232.62857	0.8
247.08290	49.9
248.08652	2.4
301.14633	1.1
307.10431	12.6
308.10773	1.4
313.16629	1.4
325.11392	5.1
338.13956	2.2
355.17761	2.6
356.15109	2.3
370.19995	1.1
414.80447	1.0
475.22168	1.1
535.31635	2.3
536.21271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1838
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
51.09848	0.4
59.01270	4.3
61.98715	2.8
63.58370	0.4
63.89644	0.4
69.50831	0.9
69.51237	3.0
71.01278	3.3
72.99189	0.8
73.02807	1.4
83.01276	0.5
85.02811	1.5
87.00723	0.7
89.02333	2.3
91.02613	0.4
93.03324	1.0
95.01286	0.5
96.95862	1.7
97.02856	0.4
98.20528	0.7
98.95464	0.4
101.02369	2.4
103.67939	0.4
105.01784	0.4
108.02042	1.7
109.02827	1.2
113.02328	1.1
117.03394	1.1
118.42773	0.4
119.03395	0.6
119.04908	0.9
121.02871	13.4
123.04441	2.9
125.02316	1.2
133.02817	0.7
134.03661	0.8
135.04465	3.2
137.02318	1.6
145.01839	0.5
145.02888	5.9
147.04475	2.4
149.05989	1.2
151.03850	0.6
153.01773	0.5
153.05496	0.5
159.04366	0.8
160.01547	1.2
160.05203	0.7
161.02356	2.3
161.04456	0.8
161.05980	0.5
162.01863	0.5
162.06805	0.5
163.03937	0.9
164.04610	0.5
167.03452	0.5
168.00824	0.5
173.05949	0.6
175.03914	1.7
175.07594	0.7
177.05522	1.1
179.03465	1.1
179.05576	0.7
182.05756	0.6
191.05502	0.4
192.08281	0.4
193.05025	0.8
194.05769	0.8
197.04469	0.7
197.08063	0.4
199.07640	0.4
209.08064	0.7
212.04697	0.7
221.04503	0.6
223.07819	0.5
224.04695	0.6
225.05565	0.8
225.09265	0.6
227.07188	0.7
227.09279	0.6
237.05521	1.1
238.05974	0.4
239.07196	2.0
240.04274	1.6
241.05034	1.8
241.08713	1.2
251.07120	1.2
252.04207	0.4
252.07835	0.6
253.05118	1.5
253.08771	1.9
254.05896	1.4
255.06688	7.7
256.07153	1.4
259.06168	0.9
263.06998	0.7
264.07959	0.9
265.05270	0.6
265.08728	1.3
266.05933	0.5
267.06708	12.7
267.09814	0.6
268.07394	5.0
269.08249	21.2
270.08591	2.2
272.06711	0.5
279.10300	0.5
280.07513	2.6
281.08322	7.5
282.08911	1.3
283.09811	11.9
284.07214	0.6
284.10480	5.2
285.04379	0.5
287.05838	0.5
295.09760	6.8
296.07159	0.9
296.10516	2.3
297.11371	0.8
298.08676	0.7
298.12085	0.5
299.12964	1.7
302.07791	0.5
307.08237	2.1
310.08527	1.3
311.09351	18.7
311.12711	0.6
312.09695	2.8
322.08292	0.5
323.09186	1.3
324.09567	0.5
325.07303	1.4
325.10791	0.8
328.09567	8.3
328.13159	0.7
329.10175	0.8
329.14008	0.9
337.09283	1.1
340.09619	25.2
341.09961	2.8
343.11951	100.0
344.12347	11.9
355.11963	56.9
356.12338	7.3
368.03198	0.5
373.13007	22.3
374.13382	3.4
385.12970	0.9
424.79941	0.4
535.18750	12.5
535.26965	0.9
536.19037	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	535.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31707	1.5
55.01762	2.2
57.03329	2.4
59.01266	41.6
61.98720	13.5
71.01273	27.4
71.60053	3.2
72.99216	2.4
73.02843	15.5
75.00764	3.6
77.76150	1.7
78.95816	2.9
83.01288	6.5
85.02843	10.6
86.14185	1.6
87.00778	3.9
89.02348	20.8
93.03352	1.9
93.70326	1.7
94.48619	1.9
95.01299	7.4
96.95928	4.2
99.00780	3.0
101.02364	23.1
108.02063	8.5
109.02874	5.5
113.02368	16.0
115.79122	1.6
117.03389	2.8
118.02926	3.7
119.03447	5.8
119.04951	2.2
121.02889	24.0
123.04447	50.7
124.01567	1.9
125.02406	8.3
134.03619	2.2
135.00807	13.3
135.04491	4.4
136.01628	11.8
136.05206	2.5
137.02388	1.9
137.06047	2.0
143.03465	2.5
145.02892	14.8
146.02408	11.3
146.03380	1.7
147.03239	26.5
147.04495	4.3
149.04515	1.9
149.06029	2.3
149.77225	1.7
151.03934	7.7
152.01093	1.8
153.01880	4.8
153.05521	58.4
154.05876	3.3
161.01137	6.3
161.02345	2.3
161.04546	4.5
162.01927	82.8
167.03517	4.8
171.04541	1.9
172.05315	2.8
175.77957	1.8
177.84087	1.6
179.03470	2.5
179.05576	2.3
185.11742	2.4
188.04739	2.4
191.05544	2.1
193.05063	5.1
194.05748	1.8
205.07083	2.1
211.13390	2.8
213.04378	2.3
225.11334	2.0
227.07162	59.0
228.07513	4.7
233.33670	2.0
241.05029	1.7
243.12436	2.7
255.06746	6.0
257.15573	4.5
263.07034	2.4
266.15625	3.1
267.06790	8.5
267.14090	3.6
268.07458	5.2
269.08243	22.0
270.08939	2.6
273.07764	3.4
280.07373	3.9
281.08347	6.3
283.09897	18.6
283.12988	2.9
284.10471	4.8
294.15195	1.9
295.06790	1.9
295.09952	6.6
297.06381	5.1
301.14743	2.4
309.08173	1.9
310.08716	3.3
310.14682	4.4
311.09473	17.5
311.12918	3.5
322.08627	2.3
324.07205	3.3
325.07541	2.0
325.10999	8.8
328.09760	5.9
328.15753	3.4
329.14111	7.5
337.10822	2.4
338.14038	30.6
340.09509	14.9
341.10336	2.1
342.11414	2.1
343.11954	100.0
344.12180	8.1
354.10907	1.8
355.11990	49.4
355.24960	7.7
356.15314	36.7
357.13635	8.1
369.13617	3.2
373.12912	16.0
373.25934	11.8
385.13040	30.9
385.17740	2.7
386.13522	3.2
397.12894	14.4
397.17014	1.5
398.13159	2.7
405.82324	1.5
415.14182	10.1
445.15320	4.7
517.68225	1.9
518.07330	1.8
519.13599	1.8
534.30200	9.4
535.19006	2.7
535.25201	3.9
535.31512	61.8
536.21582	14.5
536.30994	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	535.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29313	0.5
57.03337	1.0
58.00478	0.5
59.01266	11.0
61.29844	0.4
61.79895	0.4
61.98723	2.3
63.20003	0.5
70.03123	1.5
71.01270	8.2
72.99216	1.2
73.02837	3.0
73.60704	0.4
79.82643	0.4
83.01279	1.0
83.20181	0.4
85.02841	3.5
85.03192	0.3
87.00781	0.9
89.02346	6.3
95.01292	0.9
96.95910	4.3
96.96880	0.6
97.02805	0.5
98.95506	3.8
98.96362	0.7
99.00770	0.7
101.02342	4.7
102.92146	0.4
103.00281	0.6
105.03365	1.0
113.02373	2.7
114.04151	0.4
117.03377	23.1
118.03713	1.0
119.03425	1.4
119.04951	7.4
121.02908	1.8
123.00826	1.3
123.04436	1.3
124.01561	0.5
125.02394	1.0
131.03468	0.6
132.02106	2.2
133.02878	0.5
134.03703	0.7
135.00783	0.7
135.04417	1.9
137.02385	0.6
137.15388	0.4
138.03165	0.9
145.02892	96.5
146.03232	3.5
147.03186	0.5
148.04008	0.4
149.02414	0.6
149.06052	0.9
151.03957	0.6
152.01118	0.4
153.01884	0.7
153.05482	0.6
160.01619	7.2
161.02396	16.8
161.04507	1.1
162.01801	3.5
162.03055	0.5
163.03951	6.2
163.05188	0.6
165.01807	0.4
166.02679	0.5
166.68825	0.5
166.99805	0.7
167.03461	1.6
175.03917	2.7
177.05551	0.7
179.03471	1.0
179.05730	0.7
182.02185	1.3
182.05750	0.6
193.05006	0.7
195.06633	2.5
197.04521	1.7
211.07625	0.5
212.04688	0.7
213.05652	0.6
225.05507	0.9
226.06236	0.5
229.01550	0.8
237.05414	0.6
239.07176	0.6
240.07951	0.9
250.06331	0.9
251.07240	0.9
252.07776	0.6
253.08621	0.6
255.02934	0.6
257.01053	0.7
258.01831	2.0
265.05035	0.5
265.08871	0.6
267.06589	1.1
268.07401	1.2
272.03299	0.7
273.04108	1.3
273.07715	0.4
278.05923	1.1
279.06665	4.3
280.07333	2.6
281.08148	1.8
282.08990	0.8
283.09708	1.5
293.08322	2.1
294.08954	1.1
295.06076	2.1
295.09760	2.0
296.06934	5.4
297.07764	2.4
299.09256	1.1
309.07755	1.5
309.11343	0.7
310.08517	7.6
311.09268	8.6
312.06400	0.5
312.09671	1.1
324.10034	0.4
325.07208	0.9
325.10831	8.4
326.08112	0.6
326.11533	3.5
327.08755	1.6
329.14047	0.8
337.09897	2.0
338.07953	1.2
338.14081	0.5
339.08716	2.8
340.09503	1.8
341.09058	0.8
341.13882	1.2
343.11758	1.0
353.10266	1.9
354.10907	0.7
355.08298	20.3
355.11826	0.8
356.08762	2.1
356.15012	1.5
361.08594	0.4
370.10651	27.8
371.11044	4.5
373.13254	1.0
373.26105	2.9
385.13016	100.0
386.13367	13.1
475.22101	0.9
503.15704	0.5
534.29578	0.6
535.14655	2.2
535.16357	2.2
535.19220	2.1
535.25250	58.4
535.31421	6.2
536.14081	0.6
536.25800	7.4
536.32574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03331	2.8
58.00473	2.2
58.99473	0.7
59.01266	59.9
61.98730	4.7
69.54535	4.3
71.01270	34.5
71.87383	0.8
72.99194	2.3
73.02839	27.8
75.00767	0.9
82.37611	0.6
83.01297	3.1
85.02847	15.7
87.00774	3.4
87.04420	1.1
89.02343	27.9
95.01289	2.9
96.95928	1.8
97.06504	1.0
97.60061	0.6
99.00790	1.9
101.01701	1.2
101.02352	20.7
102.02689	1.0
102.76274	0.7
102.98498	2.9
103.03922	6.9
108.02074	1.1
109.48248	0.6
111.00816	0.7
113.02357	12.4
114.02641	0.6
119.03421	10.4
119.04861	0.7
119.72083	0.7
121.02897	3.3
121.10156	1.1
123.00803	2.1
123.04447	2.3
124.01566	0.8
125.02353	2.5
125.09631	0.7
131.03383	1.3
132.02043	1.0
133.02844	0.7
134.03648	1.3
135.04475	1.5
137.02359	1.0
137.05981	0.9
138.03174	0.7
139.07463	0.7
143.03447	1.9
144.24545	0.7
145.02927	1.8
146.03731	1.0
148.03839	0.8
149.02380	0.6
149.04465	1.5
151.07715	0.6
152.01076	2.5
153.01849	1.0
153.09164	1.6
159.02814	0.7
160.01617	2.8
161.02412	4.6
161.04498	3.1
161.05707	0.7
163.03906	0.9
165.01854	1.5
165.05504	1.0
167.03438	3.8
167.06979	0.6
167.10666	1.1
173.11833	1.1
174.03165	3.6
175.04030	3.6
176.01067	1.6
177.05562	0.9
179.03461	0.7
179.04192	0.7
179.05595	5.3
181.58919	0.6
181.77954	0.7
185.02425	5.8
186.03133	1.6
187.04042	1.1
187.13359	0.8
189.01874	2.1
191.03461	1.4
193.05035	3.2
195.06590	1.0
196.03806	0.6
197.04599	0.7
201.01888	2.8
202.02719	5.6
202.12077	0.7
205.05029	0.8
206.02080	0.7
210.05313	0.7
211.06108	1.5
213.01894	0.8
214.02718	1.0
216.13622	2.8
221.04530	0.9
229.01443	44.9
230.02141	14.1
231.02715	1.1
237.07732	1.1
241.01476	1.7
241.05475	0.7
242.02199	2.0
243.03040	9.3
245.17525	1.1
257.00958	61.4
258.01706	56.5
259.02432	15.1
260.02872	1.5
270.01358	0.7
271.02545	9.4
272.03314	18.5
273.04105	47.5
274.04370	4.6
283.02527	0.9
287.02109	1.0
287.05472	0.8
306.07681	1.2
337.09189	1.0
337.23529	1.0
341.08734	0.9
343.47995	1.0
353.09164	0.9
355.24979	2.9
367.10007	1.1
372.18307	0.6
373.11966	0.8
373.21576	1.4
373.26047	21.5
374.26282	1.4
380.44193	0.7
415.23517	0.9
417.08533	0.8
420.07135	3.1
435.09402	36.9
436.09732	5.1
445.24774	3.7
462.08466	1.7
472.12579	1.0
475.29572	1.4
477.10461	40.6
478.10861	5.7
517.13776	12.2
517.30341	1.0
518.13971	1.8
520.12390	1.3
535.14679	100.0
535.31409	73.6
536.14984	15.0
536.31934	6.2
549.91644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.0
57.03342	2.0
58.00509	0.8
59.01265	22.4
61.98745	2.0
67.88256	0.4
69.03365	0.5
70.89633	0.7
70.90005	0.9
71.01272	17.5
72.01647	0.5
72.99223	1.1
73.02855	4.9
73.03193	0.5
75.00803	0.6
78.95798	0.5
81.03368	0.7
83.01286	3.0
83.02448	0.4
85.02840	7.2
87.00814	1.4
87.04411	0.5
89.00258	0.7
89.02341	8.4
89.03864	0.5
91.01830	0.6
93.03391	1.3
95.01295	2.6
96.95899	1.0
97.02889	1.3
99.00816	1.6
101.02354	13.3
101.02997	0.8
106.00553	0.8
108.02082	1.1
109.02853	3.5
111.00796	1.3
113.02357	7.1
117.03380	25.9
118.03720	1.0
119.03456	3.2
119.04935	7.0
120.63354	0.4
121.02873	15.7
122.03256	0.5
123.00818	3.6
123.04435	2.2
124.01604	1.1
124.55805	0.5
125.02367	4.1
125.06071	0.6
125.72536	0.5
127.00316	0.5
131.03461	0.7
132.02094	5.5
133.02896	2.8
134.03668	22.6
135.04497	2.8
136.01576	0.6
136.98709	0.8
137.02396	4.4
138.03159	2.9
139.00308	0.9
139.03970	2.3
143.03481	1.1
145.02892	100.0
146.03247	3.7
147.04430	1.7
148.05231	1.1
149.02399	1.9
149.06020	5.7
150.03104	0.9
151.03986	0.9
152.01106	0.7
152.04713	0.8
153.01883	1.2
153.05522	10.2
154.02664	0.6
154.05891	1.0
155.10696	0.5
158.03685	0.8
159.02919	0.7
159.04356	0.7
160.01610	29.0
161.02357	3.3
161.04501	4.5
161.05986	1.1
163.03973	7.8
163.06026	0.9
164.04648	1.3
165.01865	0.6
165.05635	0.5
166.99783	2.0
167.03426	1.3
167.10735	13.2
168.00562	1.0
168.11037	0.7
173.05949	0.7
174.03157	0.5
175.03961	43.8
176.04686	5.5
177.01872	1.9
177.05444	1.4
178.02702	2.7
179.03435	1.3
179.05565	2.2
179.07104	1.2
181.01402	1.2
181.05092	0.6
182.02174	7.8
183.02850	1.4
184.03951	1.0
187.03857	0.5
189.05412	1.5
190.06235	1.3
191.05463	0.7
191.07092	6.4
192.04271	0.9
193.05037	18.3
194.05365	1.4
196.03746	0.9
197.04539	41.2
198.04813	2.6
205.05049	0.8
206.05818	1.6
207.06552	1.2
211.06085	1.0
217.04962	1.5
217.26616	0.4
220.03825	1.1
221.04529	0.7
221.08119	1.8
221.11757	0.6
235.06161	6.3
236.06352	0.9
239.05664	3.5
265.07257	2.4
277.07083	0.8
281.06461	0.6
295.08383	4.1
301.14322	0.8
307.10498	0.6
313.13364	2.1
315.12231	1.7
323.07813	4.1
329.13660	1.5
337.09375	52.2
338.05969	0.5
338.09421	5.5
338.13785	1.7
343.07874	0.5
343.11893	9.5
344.11942	1.3
355.08261	2.8
355.24689	0.6
356.15176	5.4
358.14285	10.6
359.14328	1.3
373.16690	32.4
373.21863	6.0
373.26657	3.6
374.17102	3.6
374.21564	0.8
457.27713	0.5
463.05096	0.7
475.21759	0.9
475.28360	0.5
511.95105	0.5
534.29199	0.6
535.14465	5.9
535.25031	57.3
536.14563	1.0
536.25745	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	535.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26181	0.7
55.01757	1.5
57.03339	2.7
58.00481	4.7
58.99493	4.5
59.01266	69.5
61.79648	0.6
61.98721	2.7
66.77878	0.6
71.01270	50.9
72.99190	5.4
73.02839	16.2
74.99011	0.6
75.00786	0.7
81.03371	0.6
83.01286	4.0
85.02846	16.6
87.00786	4.3
87.04420	0.8
89.02340	54.0
93.03396	0.8
95.01286	3.9
95.04915	0.8
96.95917	1.1
97.02883	1.3
97.06498	1.8
98.20539	2.5
99.00772	2.2
99.04427	0.7
101.02351	32.4
102.98503	26.6
103.03938	0.8
107.04958	0.8
108.02084	26.2
111.00792	0.9
113.02361	20.1
113.09631	2.2
119.01324	1.0
119.03424	24.0
120.99606	0.9
121.02879	1.6
121.10094	0.8
123.00795	1.5
123.04445	11.9
123.08072	0.9
124.01531	0.9
124.04749	0.7
125.02376	2.0
125.09661	2.4
131.03383	1.6
134.03664	0.9
135.04445	1.7
137.02390	1.4
137.05997	1.0
137.09666	1.7
139.11241	0.8
141.09149	1.1
143.03453	5.0
143.10742	0.9
145.02861	0.9
146.02399	1.0
147.00801	1.3
147.99222	0.7
148.03941	0.8
149.02393	5.0
149.04501	1.4
149.09636	1.0
150.03159	2.5
151.00301	1.1
151.03856	1.1
151.11227	0.9
152.01096	61.5
152.04674	1.4
153.01483	2.4
153.09135	2.5
155.10725	1.7
157.12250	1.0
159.02919	0.6
160.01639	1.7
161.02357	1.4
161.04480	5.0
163.00638	2.1
163.03824	1.0
164.04776	3.9
165.01811	0.7
165.05463	2.4
166.02698	4.2
167.03455	81.1
167.10748	2.9
168.03816	4.5
175.00348	10.2
175.03976	1.9
176.01160	3.8
177.01883	0.9
177.05547	1.0
178.02731	1.3
179.03377	1.1
179.03960	1.0
179.05598	10.9
179.07053	1.1
181.05049	4.7
185.11775	1.9
187.13368	4.3
190.02696	26.9
191.03461	6.9
191.75418	0.7
193.05052	5.8
194.02142	0.7
195.06630	2.1
196.03682	1.3
196.06964	0.8
197.04535	1.3
205.05058	26.6
206.05461	2.1
208.03900	1.0
209.04565	2.5
209.08092	0.7
211.06123	2.7
215.12886	1.6
216.13673	6.7
217.14447	1.2
223.06134	5.3
235.06201	0.9
245.17654	2.2
251.05621	0.8
258.01779	0.9
260.06494	0.6
263.11359	0.6
273.04080	1.2
298.03656	0.6
313.24026	0.9
319.22720	0.7
331.72882	0.7
337.09421	1.1
337.23883	1.7
339.09946	1.0
343.24771	0.9
349.05899	0.6
353.08847	13.8
354.09277	1.5
355.25034	4.5
359.10168	0.8
359.14774	0.6
367.10422	42.4
368.10727	4.1
373.11569	2.3
373.26035	33.2
374.26480	1.6
389.86081	0.9
415.12488	1.0
435.09561	0.7
438.72256	0.7
445.24344	0.7
475.22144	0.7
535.14539	10.1
535.31384	100.0
536.14874	2.0
536.31549	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	535.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03477	0.4
55.01799	0.8
56.24646	0.4
57.03355	1.0
57.55745	0.4
58.00483	0.7
58.18020	0.4
59.01268	19.2
61.98725	2.2
68.99725	0.5
69.03364	0.7
70.34414	0.4
71.01273	16.2
71.59959	0.7
72.99239	1.7
73.02840	4.6
83.01278	3.1
85.02851	6.4
85.39748	0.4
87.00784	1.0
89.00255	0.6
89.02341	7.4
89.03865	0.5
93.03403	1.2
95.01309	1.6
95.04986	0.4
96.95939	0.9
97.02855	0.8
99.00809	1.6
99.04462	0.5
101.02358	11.3
103.03944	0.4
108.02102	1.5
109.02882	3.2
111.00819	1.2
112.98810	0.5
113.02357	5.9
117.03385	24.9
118.03723	1.1
119.03488	2.0
119.04951	7.6
121.02879	14.1
123.00826	2.7
123.04460	1.7
124.01579	0.4
125.02384	3.8
131.03468	0.4
132.02089	5.7
133.02859	1.8
134.03676	20.2
135.04532	2.6
136.01553	0.6
137.02388	4.5
138.03165	2.5
139.00294	1.0
139.03938	2.8
143.03435	1.0
144.74039	0.5
145.02895	100.0
146.03212	3.5
147.04465	2.2
148.05234	0.7
149.02373	1.4
149.06029	6.3
150.03107	0.6
151.04004	0.9
152.01114	0.7
153.01918	0.9
153.05530	10.9
154.05844	0.8
159.03014	0.7
160.01614	29.7
161.02411	3.1
161.04497	4.6
161.05994	1.2
162.01892	0.7
163.03966	9.3
163.06053	0.7
164.04654	0.9
166.99864	2.5
167.01013	0.4
167.03452	1.2
167.10725	9.7
168.00546	0.4
174.03169	0.6
175.03969	39.6
176.04689	5.4
177.01974	1.0
177.05458	1.4
178.02641	2.5
179.03432	1.0
179.05548	2.0
179.07120	1.5
181.01390	1.0
181.05023	0.6
182.02151	6.9
183.02795	1.2
184.03912	0.9
187.03941	0.5
189.05460	1.2
190.06241	1.2
191.05487	0.6
191.07101	6.0
191.34491	0.4
192.04338	0.6
193.05046	17.9
194.05356	0.8
196.03693	0.8
197.04541	38.0
198.04819	1.9
203.07132	0.7
205.04968	0.7
206.05717	1.1
207.06563	1.3
211.06110	0.8
217.05022	1.2
219.06548	0.6
220.03714	1.1
221.08176	1.5
224.03377	0.7
232.03300	0.5
235.06146	5.0
236.06459	0.5
239.05511	2.6
265.07285	1.9
271.02139	0.7
277.07181	0.9
295.08282	3.9
301.14441	0.6
307.10477	1.0
313.13235	1.0
315.12561	2.2
323.07803	3.3
329.13721	0.9
337.09381	45.5
338.09433	4.8
338.13818	1.3
343.11890	8.6
344.12076	0.5
355.08374	2.2
355.25235	0.6
356.08685	1.0
356.15186	3.0
358.14310	10.2
359.14514	0.6
373.16711	29.4
373.21841	4.7
373.26459	2.8
374.17062	3.3
475.12244	0.6
475.21597	0.8
475.28552	0.5
535.14465	5.3
535.25055	55.2
536.14221	0.6
536.25812	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	533.3132
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
50.19548	0.6
50.72370	0.7
57.03342	3.5
59.01249	1.6
59.30452	0.6
67.01765	2.4
69.03345	23.2
69.50434	0.7
70.62045	2.4
70.99030	0.7
71.01254	3.7
71.04913	4.1
76.24047	0.9
78.95793	26.0
80.02570	0.7
81.03353	1.1
83.04916	1.7
95.01265	1.0
95.04892	1.0
96.95933	1.1
96.96864	2.4
97.02875	1.8
97.06488	3.5
98.95500	1.3
99.00772	1.2
107.04993	0.8
108.02080	1.3
109.06526	1.5
111.04376	0.9
111.08060	2.4
121.06521	1.4
123.08082	6.2
125.09657	10.9
127.07540	0.9
127.11164	1.0
135.08130	1.2
137.09641	2.6
149.09605	4.2
151.11226	19.1
152.99536	42.9
153.12769	6.3
153.99979	1.6
155.10745	1.6
161.09673	27.2
162.10010	1.9
165.12778	1.7
167.10692	1.0
169.12248	1.4
171.00560	1.9
179.10742	87.2
180.11137	4.4
180.89969	1.9
181.12286	3.1
185.11789	0.8
191.05573	1.3
196.89476	15.4
197.11813	91.2
197.89470	1.1
198.12161	5.9
199.13611	0.8
207.13914	1.9
223.09761	8.1
227.12941	0.9
241.10846	71.4
242.11230	4.9
247.20679	3.6
273.18756	1.9
281.21231	1.6
291.19727	21.2
292.20261	1.5
309.20792	48.4
310.21161	4.6
453.30350	1.0
471.31256	3.1
489.32309	1.7
515.30127	6.1
516.31146	1.3
533.31317	100.0
534.16870	0.7
534.31696	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	533.3129
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
57.03333	2.9
59.01262	2.6
68.53807	0.7
69.03341	7.5
71.01274	1.1
71.04930	3.7
71.56027	1.2
78.95793	21.2
83.04910	1.2
96.95886	1.2
96.96853	2.6
97.02812	1.0
97.06504	1.8
98.95502	0.9
106.81623	0.7
107.78905	0.7
123.08080	2.4
125.09614	4.2
137.02361	2.7
137.09663	1.1
139.54723	0.8
148.46313	0.7
149.09647	0.7
151.11230	4.9
152.99532	36.1
153.12756	3.0
153.99812	0.8
161.09669	6.8
165.12816	3.3
171.00604	1.3
175.03972	1.4
179.10736	23.5
180.03598	0.7
180.11102	1.0
180.89905	1.3
181.12215	1.2
183.13884	1.0
191.05589	2.7
196.89468	11.8
197.11812	90.8
198.12170	5.7
209.11703	1.3
211.13252	0.9
223.09775	3.7
227.12859	1.2
241.10846	70.5
242.11182	4.6
247.20650	2.2
272.99426	1.0
273.18793	1.4
291.19757	14.2
292.20059	1.4
305.17722	1.8
309.20773	14.3
310.20972	1.9
323.18698	1.7
363.25629	1.4
389.90845	0.8
394.87976	0.8
453.29770	1.0
471.31412	1.9
489.32611	1.4
497.32654	2.8
509.02939	0.9
515.30341	5.4
533.31366	100.0
534.31659	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	534.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89039	0.2
57.03332	0.3
57.55396	0.2
58.02868	4.1
59.01269	2.3
59.25257	0.2
61.98722	0.3
64.02744	0.2
66.03391	0.4
68.22679	0.3
69.59309	1.6
71.01272	3.4
72.00806	0.8
72.99195	0.4
73.02840	1.0
74.02365	11.2
75.00767	0.4
81.04459	0.5
82.02873	0.9
83.01306	0.6
83.02340	0.3
84.04465	0.3
85.02856	1.5
85.03992	0.3
86.02374	4.5
86.06017	0.9
86.99007	0.9
87.05540	2.2
88.03957	0.2
89.02351	1.5
90.00094	0.8
94.22235	0.2
95.01289	0.4
96.95928	1.0
97.03978	0.9
99.00789	0.5
99.05544	9.0
100.05895	0.3
101.02356	2.8
101.07120	1.5
102.05505	1.2
107.06052	0.4
109.02853	0.4
109.04018	1.2
109.07623	0.6
111.05564	0.9
112.03957	1.3
113.02337	1.5
113.03497	0.6
113.07114	0.3
116.01683	0.8
119.03424	0.8
120.01180	0.5
123.05586	0.8
124.03957	0.7
125.02356	0.5
125.03498	1.0
126.01922	0.4
127.05067	1.4
128.03464	26.2
129.03807	0.7
131.04533	0.5
135.04558	0.4
135.05571	2.5
137.07127	0.4
139.03949	0.4
141.06633	2.3
143.04562	36.8
143.07033	0.9
144.04903	1.0
145.06111	1.8
146.04539	3.6
149.07228	0.5
153.06660	2.7
155.08151	0.4
160.00694	10.2
161.01036	0.4
161.02370	0.8
161.04552	1.0
166.09816	1.5
167.04587	2.5
167.08253	1.8
170.03291	0.4
171.07793	0.4
177.03369	4.4
179.04601	8.7
181.06143	0.8
184.10979	0.4
185.05679	1.7
191.05469	0.5
192.07758	1.1
197.05614	1.3
198.08784	0.5
199.07364	0.3
209.11830	0.9
210.08835	7.9
211.06113	0.3
211.09142	0.5
213.03349	0.3
228.09813	0.5
231.04465	0.4
242.07753	0.7
254.07869	9.1
255.08182	0.8
272.08963	15.7
273.09317	1.0
288.06702	6.2
288.09793	0.6
289.06900	0.4
295.06195	0.3
304.06250	0.3
306.07736	100.0
307.08044	6.8
310.08517	0.6
323.07767	0.5
325.10861	0.9
343.11905	0.3
355.12006	2.0
373.13077	0.5
373.22314	1.2
516.20612	0.3
534.21417	6.7
535.14398	0.3
535.21265	0.8
535.27917	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	533.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.0
57.03345	2.0
58.00481	1.0
59.01268	20.5
61.98720	3.7
62.90119	0.3
65.00217	0.6
67.01797	0.3
71.01273	15.5
71.04904	0.9
71.31496	0.3
71.52661	0.6
72.01628	0.4
72.99209	1.1
73.02835	4.6
75.00765	0.6
75.52945	0.4
78.95806	0.7
83.01286	2.6
85.02842	6.2
87.00781	0.9
87.04415	0.7
87.60558	0.3
89.02341	6.2
93.03358	0.4
95.01287	0.8
96.95931	1.0
97.02845	0.6
97.06491	0.4
99.00787	1.3
101.02355	10.0
101.05972	1.9
107.01305	0.7
108.02075	0.4
113.02368	4.9
119.03435	1.9
119.04938	2.7
121.02898	0.8
123.00784	0.3
123.04426	0.5
123.08042	0.3
124.01615	0.4
125.02364	1.4
125.09653	1.4
131.03438	0.5
132.02089	1.5
134.03680	1.4
135.02916	0.5
135.04477	2.0
136.05255	3.3
137.02417	0.8
138.03174	0.4
139.03952	0.6
139.11244	0.8
143.03435	0.5
145.02922	0.8
146.02368	0.4
149.06029	0.9
151.00331	2.8
151.07620	2.1
153.09164	0.4
157.12367	0.5
159.02995	0.5
160.01633	6.3
161.02325	1.1
161.04510	3.2
163.03885	0.7
165.01988	0.5
167.03462	0.9
168.04297	0.9
169.12296	1.0
171.10252	2.5
175.03976	12.4
176.04388	0.9
179.05608	0.9
185.11813	4.1
186.12073	0.4
193.05037	1.6
195.06644	4.5
197.11865	1.0
209.11832	0.4
213.11203	0.4
214.12131	0.6
215.12920	0.7
243.16066	0.9
260.03860	0.7
271.06201	7.8
272.06509	0.8
277.21957	0.6
297.04160	0.6
325.24091	0.4
327.25650	0.5
337.09409	3.1
341.23416	5.1
353.23453	3.4
355.24915	4.5
356.25336	0.8
357.12006	3.3
358.12442	0.4
371.20096	0.8
371.24527	11.2
372.24854	1.2
374.94998	0.4
375.11853	0.5
383.50821	0.5
431.76120	0.5
436.07672	0.3
473.27313	0.6
503.28549	1.7
533.16779	3.8
533.29846	100.0
534.17291	0.8
534.30261	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	533.298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05906	0.7
55.01770	1.3
57.03342	2.4
57.64574	0.8
59.01269	51.6
61.98718	11.1
71.01276	17.9
71.52523	1.2
71.52921	1.0
72.99208	2.2
73.02852	3.4
78.95793	0.9
83.01294	2.3
85.02843	5.9
87.00797	1.3
89.02342	11.5
94.60416	0.7
95.01328	1.3
96.95934	2.6
97.06491	1.0
99.00799	2.2
101.02345	13.6
101.02915	1.0
101.06007	2.8
109.02867	0.9
111.00788	0.9
113.02353	6.0
117.03378	9.6
119.03436	3.2
119.04925	3.7
121.02931	1.1
123.04453	2.2
124.01547	1.0
125.02389	2.7
125.09673	1.1
132.02119	2.5
133.02902	1.1
134.03700	2.7
135.04485	1.3
137.02382	1.4
138.01917	1.2
143.03464	0.8
145.02898	31.8
146.03264	2.4
153.01871	1.3
153.05542	1.5
153.09206	1.1
159.02972	0.9
160.01630	12.5
160.02849	1.2
161.02220	0.9
161.04533	1.4
163.03978	6.3
165.05537	0.9
167.03455	1.8
171.10263	2.3
175.03963	17.2
176.01033	1.1
176.04393	1.5
179.05623	0.8
179.10770	1.6
185.11839	3.5
193.05144	3.1
204.00703	0.8
239.96104	0.7
243.03030	0.9
243.16301	1.1
271.02695	1.5
271.06244	1.6
283.02664	1.0
313.03595	1.7
341.23349	1.3
353.23447	5.8
361.52313	0.8
371.20557	1.4
371.24554	10.9
372.24817	1.4
435.07040	1.9
436.08215	1.5
473.27786	1.2
533.22827	11.4
533.30078	100.0
534.22864	2.6
534.30420	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	533.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84009	0.1
57.03331	0.2
58.44687	0.2
59.01269	1.4
67.01774	0.3
69.03362	0.3
70.85518	0.5
71.01273	0.8
81.03358	0.4
83.04906	0.3
85.02848	8.8
87.00774	2.2
93.03365	2.8
94.03721	0.2
99.04428	0.4
109.02865	0.7
111.00795	0.2
111.04443	1.2
111.24723	0.2
112.01247	0.2
122.29048	0.1
127.03937	2.2
129.01849	0.3
137.12436	0.2
151.97182	0.2
165.90561	0.2
171.02989	0.6
173.04521	1.0
186.85002	0.2
191.05595	100.0
192.05946	4.2
327.74435	0.2
508.43396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	37.8
67.67157	1.0
71.01274	23.6
71.51483	1.9
72.99216	1.7
77.23795	1.1
85.02862	3.8
87.00777	2.0
88.46700	1.4
89.02344	48.7
95.01310	1.4
101.02353	16.3
101.78093	1.4
113.02367	11.9
119.03431	24.0
121.02851	1.5
121.49038	1.0
131.03423	2.3
136.56500	1.2
143.03497	5.0
149.04610	1.7
161.04504	9.0
164.58287	1.3
179.05586	100.0
180.05937	3.1
191.05585	2.1
266.39056	1.0
341.10977	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	532.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98653	0.2
57.03346	0.2
59.01268	7.1
61.98716	2.1
68.02428	100.0
68.54615	0.2
69.02145	0.6
69.02765	1.3
70.89950	0.7
71.01272	5.7
72.99160	0.5
73.02842	0.9
75.00769	0.3
79.02077	0.2
83.01279	0.5
85.02847	1.5
87.00782	0.6
89.02339	6.3
91.88680	0.2
93.03353	0.3
95.01318	0.2
96.95898	0.8
97.30286	0.2
99.00789	0.4
101.02353	3.6
102.02731	0.3
102.98491	0.2
109.02853	0.3
113.02378	2.4
117.03354	0.3
119.03426	3.0
123.00790	0.4
124.01598	0.3
125.02354	0.9
126.99491	24.7
127.99849	0.8
131.03479	0.4
134.03664	0.6
137.02357	0.3
143.03418	0.5
145.02899	0.4
149.04597	0.5
149.05908	0.2
150.03154	0.4
151.99068	0.4
152.08264	0.5
160.01654	0.8
161.02293	0.4
161.04498	2.0
163.03958	0.4
167.03400	0.3
175.03996	1.3
176.04361	0.7
178.02704	0.7
179.03198	0.3
179.05595	3.0
191.05692	0.2
193.05049	2.2
194.05418	1.6
203.17975	0.2
208.02773	0.4
219.73776	0.2
241.06447	0.4
243.50197	0.2
246.35022	0.2
258.56998	0.2
275.11221	0.4
337.09357	1.2
338.09760	1.9
339.10071	0.3
339.93961	0.2
371.24374	0.5
403.11734	10.4
404.12155	1.0
472.15067	0.7
531.28589	0.7
532.15857	0.4
532.28644	1.6
533.29572	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73734	6.8
69.74149	2.5
72.99203	13.8
73.02827	2.6
98.19881	2.2
99.08068	5.2
113.06016	2.2
115.07571	44.1
129.05515	26.4
129.57036	1.2
140.75879	1.6
143.07104	13.0
143.74429	1.4
159.06584	1.6
205.07182	100.0
206.07503	5.7
207.48773	1.4
422.49243	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35834	1.7
53.36103	1.6
59.01266	2.8
59.92063	1.9
70.40630	3.6
70.41042	4.5
72.99200	37.4
73.02806	2.2
76.97775	1.5
81.06993	3.1
85.06507	1.7
87.31931	1.5
99.08063	14.3
100.08446	1.8
113.05991	6.1
115.07566	96.8
116.07908	2.8
129.05502	59.8
143.07079	33.9
159.06575	5.4
205.07179	100.0
206.07472	4.1
230.41812	1.7
286.81055	1.7
323.31091	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	531.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24909	0.3
55.01767	0.8
57.03332	0.6
58.00499	0.5
59.01267	100.0
59.74890	0.4
60.01600	1.1
61.98735	1.0
71.01275	22.3
71.19537	0.7
72.01627	0.5
73.02832	4.4
81.03358	0.4
83.01257	2.0
85.02845	5.2
87.04398	2.0
89.02341	4.5
89.05977	3.7
95.01298	1.1
96.95912	0.5
97.02856	0.6
99.00802	0.8
101.02351	8.3
101.02983	0.6
105.07034	1.2
106.24722	0.4
113.02356	5.2
119.03391	0.6
121.02880	4.6
125.02356	1.0
136.17044	0.4
137.02486	0.6
143.03453	0.9
143.07007	0.5
149.06093	0.7
151.00404	0.5
159.02986	1.1
160.01625	1.1
161.04517	5.4
162.95403	0.6
165.01970	1.6
168.38234	0.4
175.03903	1.9
193.05009	3.3
203.09306	0.9
205.05118	0.9
219.06725	0.7
233.10406	1.6
237.07739	5.5
238.08118	0.5
249.04063	0.6
251.11411	25.8
252.11845	1.7
287.06027	0.4
291.08853	2.0
305.06882	0.7
326.87296	0.4
337.09503	1.6
355.98248	0.4
381.11996	31.0
382.12454	2.7
399.12888	2.4
399.23990	0.5
531.21332	0.4
531.28015	2.3
532.28345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	2.3
59.01259	5.0
61.98714	1.7
69.03330	3.3
71.01279	2.0
71.53909	1.9
78.95788	10.4
80.96423	1.4
81.03345	2.9
85.02847	5.6
87.70038	1.2
89.06906	1.1
94.90458	1.2
95.01291	5.8
95.04933	4.7
96.95918	89.4
97.02841	3.0
97.06483	2.2
102.33234	1.2
108.02084	31.9
109.02879	27.2
109.06494	3.4
118.31055	1.3
123.00833	3.5
123.04474	4.1
123.08144	1.5
125.09650	5.8
135.04448	1.3
135.08105	3.1
137.09676	3.4
141.05507	3.9
152.99524	15.6
153.09134	9.0
159.57298	1.2
161.02521	1.6
162.10497	1.6
163.07565	1.3
163.11256	5.5
165.12810	2.3
167.10754	2.8
171.10175	14.9
175.11200	1.6
177.96608	1.2
179.14348	2.7
181.12321	1.9
185.11800	10.7
191.14383	7.9
195.13831	8.1
205.12373	5.2
207.10233	4.7
209.11880	6.1
217.16101	1.4
223.13411	48.7
224.13702	3.5
225.11348	3.7
241.81944	1.6
245.19118	22.1
246.19699	2.0
271.17078	1.9
277.21832	11.9
289.18170	95.8
290.18469	8.1
307.19250	100.0
308.19507	11.0
325.20270	28.3
326.20718	3.2
433.23822	3.1
487.30786	2.7
490.24832	1.3
495.31363	3.5
513.32422	3.6
531.33270	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	531.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75526	0.4
57.03354	0.4
59.01267	25.3
60.01603	0.5
61.98707	2.0
70.75494	0.6
70.75851	1.0
71.01272	7.0
71.04911	13.5
72.05235	0.4
72.99213	0.5
73.02831	1.9
77.03870	0.9
83.01281	0.9
85.02852	1.8
85.22285	0.4
89.02340	3.8
93.03335	0.7
96.95904	0.7
97.02844	0.6
99.00774	1.2
99.88930	0.4
101.02362	2.9
107.04918	1.8
113.02349	1.5
117.03380	1.2
119.03444	0.9
119.04971	0.7
121.02874	11.6
125.02362	0.9
131.03439	0.4
134.03673	19.6
135.04344	0.8
137.02325	0.5
145.02905	3.4
147.00827	2.9
149.04518	1.2
149.09634	3.0
161.02399	1.0
161.04514	1.3
163.03918	0.5
165.01897	1.7
177.09190	5.0
179.05594	0.5
190.99857	0.7
191.05583	0.6
193.08685	0.8
207.06557	0.4
221.08203	100.0
222.08551	7.6
225.11475	0.6
235.06250	0.5
249.09860	0.9
253.07242	0.6
265.07260	0.7
307.08383	0.6
322.82565	0.4
369.12347	0.4
369.22989	0.6
397.11584	3.5
399.23917	0.6
531.23315	0.7
531.28705	4.3
532.29034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	0.6
61.98720	100.0
71.01276	0.3
71.53826	0.5
78.20415	0.3
78.95815	0.7
80.98292	0.3
96.95939	0.3
107.54778	0.3
115.07563	0.3
142.99818	0.7
152.99551	0.5
173.00880	0.7
174.01685	2.3
207.99159	0.4
235.19403	0.3
245.41878	0.3
253.09348	0.5
257.67487	0.2
293.21387	1.3
294.21664	1.0
305.21460	0.4
345.16928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10292	0.4
55.76995	0.2
59.01264	0.4
61.98720	100.0
69.26464	3.1
71.01273	0.5
73.73053	0.3
77.16433	0.2
78.95803	0.5
105.93511	0.2
135.02898	0.4
142.99802	0.5
152.99492	0.3
173.00912	0.4
174.01636	2.2
222.32771	0.3
293.21381	0.4
423.75735	0.3
463.27960	0.3
471.18997	0.3
489.15955	0.3
532.04669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02048	0.3
52.79896	0.3
53.89135	0.3
54.40023	0.3
57.03323	0.5
59.01266	11.4
61.98728	2.0
65.76495	0.3
65.76849	0.3
71.01270	6.2
71.52082	0.6
72.99204	0.4
73.02834	1.6
75.00768	0.4
78.95818	0.3
83.01307	0.6
85.02843	1.8
87.00797	0.5
88.98715	0.5
89.02351	2.2
89.05986	2.2
93.03366	0.7
96.95920	1.8
96.96872	0.6
98.88013	0.3
99.00808	0.9
99.68901	0.3
101.02368	3.2
109.02879	0.7
111.00814	0.4
113.02369	2.3
119.03432	0.9
119.05031	0.3
121.02884	4.1
122.72653	0.3
123.00826	0.3
124.82461	0.3
125.02384	1.0
132.02092	6.9
133.02902	3.7
134.03671	47.7
135.04062	2.2
136.01759	0.3
137.02370	8.8
139.03944	2.9
145.02887	0.5
149.02480	0.5
149.06027	16.3
150.03166	1.0
150.06387	0.9
160.01611	27.5
161.02386	3.5
161.04466	0.8
162.02432	0.3
163.03983	0.5
165.01888	0.9
175.03975	26.7
176.04327	1.7
177.01904	0.6
178.02678	36.0
179.03076	2.2
179.05531	0.5
191.05507	0.4
191.07123	0.5
192.04208	1.5
193.05040	100.0
194.05376	5.4
202.02681	0.4
203.03471	0.4
207.06648	0.9
217.05069	0.4
221.04587	0.5
237.07750	2.6
251.11459	0.8
253.97287	0.3
277.07190	0.4
292.20016	0.3
323.07806	4.7
324.08337	0.5
337.09375	33.0
338.09708	3.6
381.11829	3.5
381.15833	0.3
399.23819	0.7
471.25851	0.7
531.15167	13.2
531.28015	7.0
532.15338	3.1
532.27966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2546
Annotation	chaetoglobosin C
Peak:m/z	Relative Intensity
52.51749	0.5
59.01267	0.9
60.94410	0.5
61.98726	1.4
63.96142	0.8
65.60994	0.4
69.03346	1.0
70.37422	2.2
71.01268	6.1
73.02848	1.6
78.98493	5.3
79.95625	7.3
80.96415	52.5
81.03342	0.6
85.02855	1.8
87.00777	2.5
94.97991	12.3
95.01324	0.6
96.95905	1.3
97.02859	1.2
97.34960	0.5
99.00795	0.8
101.02355	2.5
106.98008	2.3
117.03368	1.4
118.11728	0.5
121.10770	0.5
122.97506	3.7
125.02383	3.0
126.99904	0.5
134.97523	3.6
136.87451	0.6
136.99060	1.5
145.02888	5.2
148.99117	5.1
152.98579	6.4
152.99707	0.7
164.98605	9.2
182.99620	2.2
194.54141	0.6
194.86803	0.6
206.99643	3.0
225.00781	17.0
226.01036	0.8
227.20215	2.3
243.01831	2.1
299.04556	2.6
491.33856	0.6
527.25452	100.0
528.25793	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	529.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	72.1
61.98717	11.3
69.03342	2.9
69.46805	22.8
71.01273	45.2
72.99194	4.4
73.02835	14.1
75.00793	3.0
78.95818	4.0
79.02743	2.5
83.01286	6.3
85.02851	20.3
87.00784	4.6
89.02347	27.5
93.03348	2.7
96.95895	5.1
97.02869	3.5
98.20530	5.1
99.00788	13.1
100.82938	2.6
101.02361	20.5
109.02908	3.8
111.00797	7.1
113.02360	14.7
117.05496	5.2
119.03386	4.0
121.02892	9.7
123.00803	68.3
124.01598	99.4
125.02341	8.7
131.03441	7.1
135.04469	4.0
137.02402	4.6
138.03180	32.6
139.00342	4.2
139.03946	100.0
140.04305	5.3
145.02835	3.9
149.04491	8.7
161.04529	8.5
165.05521	11.9
187.07661	3.6
191.05557	8.7
195.55142	3.1
203.05635	6.4
222.97060	2.6
283.08328	43.2
284.08688	4.2
291.68652	2.8
340.07068	2.6
343.10483	11.5
352.18869	13.2
367.21286	21.8
367.25250	9.4
397.22336	10.0
529.26471	39.9
530.26801	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	529.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39326	2.7
52.90792	2.6
57.03313	3.3
59.01268	73.6
61.98732	13.1
66.19951	2.4
71.01276	40.7
71.04909	3.4
71.52757	3.7
72.99192	5.2
73.02847	13.2
75.00754	4.4
78.49075	2.3
80.96325	2.5
83.01283	3.2
85.02847	16.4
89.02335	27.3
95.01286	4.7
96.95914	4.7
99.00768	7.7
101.02361	24.5
108.02073	3.3
109.02866	2.9
111.00795	4.9
113.02353	13.0
117.05499	6.2
121.02878	9.6
123.00802	60.1
123.08052	6.3
124.01596	90.5
125.02384	8.1
129.01901	2.9
131.03453	5.3
138.03175	31.4
139.00301	3.3
139.03952	100.0
140.04248	3.9
145.02972	3.1
149.04497	9.5
151.03896	6.7
153.01866	3.3
157.17461	2.6
161.04521	13.4
165.05501	7.9
191.05586	8.4
201.53151	2.5
203.05586	8.3
213.85344	2.9
273.92273	2.8
283.08295	37.0
293.08563	3.8
343.10428	8.2
352.19080	9.5
367.21237	23.4
367.25122	10.7
397.22290	7.5
529.26477	57.1
529.32806	3.2
530.26868	6.7
559.34296	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	524.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66924	0.2
57.03347	0.3
59.01266	0.9
61.98718	100.0
69.61668	1.9
71.01266	0.6
71.11557	0.2
73.02856	0.4
75.00790	0.3
85.02864	0.5
89.02354	0.3
93.03342	0.6
94.27250	0.2
96.95954	0.4
98.88647	0.3
101.02353	0.6
105.57865	0.3
109.02877	0.3
113.02374	0.4
123.00832	0.4
124.01581	0.3
125.02423	0.3
137.02391	0.8
153.01938	0.4
161.04543	0.3
165.01851	0.3
169.66356	0.3
185.99600	0.4
197.11852	0.8
229.14464	0.3
239.21643	0.3
255.03043	0.7
283.02487	2.9
284.03146	0.4
299.05704	0.4
446.08701	0.6
461.11060	2.2
462.11673	0.5
466.10327	0.4
523.34460	1.1
524.26630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.6
61.98719	100.0
62.81339	0.1
70.37634	0.5
70.37977	0.1
71.01277	0.5
78.95799	0.3
85.02892	0.2
87.04421	0.2
89.02359	0.5
99.00808	0.2
101.02370	0.4
119.04951	0.2
123.04458	0.4
124.04771	0.2
125.02343	0.2
137.02339	0.1
149.04541	0.2
152.99522	0.3
153.05569	0.5
154.05794	0.2
190.22745	0.2
198.85010	0.1
209.11842	0.2
209.27023	0.1
270.54828	0.1
524.26935	0.2
524.34930	0.2
525.17529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2644
Annotation	Cytochalasin Ohyp
Peak:m/z	Relative Intensity
57.03343	1.2
59.01264	4.6
60.84180	0.6
61.98430	0.7
61.98722	9.1
69.03340	1.1
70.95200	1.8
71.01285	3.9
71.04906	1.0
73.02843	4.1
73.41461	0.7
73.69779	0.9
75.00772	0.9
78.95797	22.3
79.95612	0.9
80.96414	2.5
83.04935	1.0
85.02866	1.6
89.02338	1.8
97.06486	1.5
98.03658	1.1
99.08064	1.5
101.02359	1.7
109.02824	1.1
112.05206	1.5
113.02351	1.0
113.09628	1.5
115.07553	2.5
117.77316	0.7
123.04442	1.0
125.06072	0.9
125.09618	2.0
127.07593	4.7
127.11208	1.5
129.09143	22.0
137.02348	1.1
140.01144	9.0
141.09160	14.2
141.12798	2.4
152.99550	2.4
155.10722	14.5
163.11246	1.1
165.12787	3.5
167.03426	1.1
171.10223	16.2
172.10471	1.1
173.08150	1.1
181.12320	1.3
185.11810	53.3
186.12146	3.2
196.03729	4.4
197.11819	52.9
198.12137	2.8
209.11839	9.3
211.13371	2.2
214.04851	12.1
247.20740	2.8
251.08858	0.9
273.18454	1.1
291.16855	0.8
291.19754	21.0
292.20108	2.4
307.19070	0.8
309.20819	24.6
310.21127	3.1
327.21851	93.4
328.22256	9.1
506.25818	1.2
524.26428	100.0
525.19067	1.1
525.26929	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27563	0.2
55.01772	2.4
57.03342	3.0
58.00487	1.2
59.01268	22.0
60.01581	0.3
61.98720	3.6
68.99705	0.2
69.03342	0.6
71.01274	37.8
71.44302	0.2
71.44641	0.2
72.01607	0.7
72.99201	2.0
73.02841	10.5
74.40280	0.2
75.00775	0.6
78.95796	0.2
81.03364	0.3
83.01282	5.1
83.04954	0.2
84.02068	0.5
85.02849	17.3
86.03217	0.6
87.00771	2.2
89.02342	10.0
90.02673	0.3
95.01294	3.4
95.01892	0.2
96.95920	0.2
97.02871	0.9
97.06506	0.2
99.00783	4.0
101.02352	24.4
102.02695	0.6
109.02869	0.4
111.00813	1.3
113.02363	14.0
113.09643	0.3
114.02710	0.4
119.03421	4.7
120.86333	0.2
123.00826	0.5
125.02399	0.9
127.11217	0.3
129.01843	0.6
131.03450	0.6
137.02414	0.3
137.09651	0.3
139.00343	0.3
139.03864	0.2
141.09125	0.2
141.12718	0.2
143.03433	1.3
149.04524	0.2
153.01888	0.4
153.12914	0.2
155.10712	0.4
159.02951	2.0
161.04514	6.6
162.04877	0.2
163.03999	0.3
167.10760	0.3
169.12323	0.2
171.13870	0.4
179.05595	1.8
187.13335	0.7
193.05112	0.2
201.14977	0.9
225.07698	0.3
239.20148	0.2
241.21710	0.6
251.20218	0.4
269.21451	0.2
277.21658	0.2
295.22855	0.4
297.24493	0.2
299.22363	0.2
313.23856	0.5
313.27341	0.2
315.25449	2.0
316.25836	0.3
341.26968	0.4
343.24738	0.2
343.28659	0.4
345.26630	0.4
359.28146	2.1
360.28345	0.4
361.05536	0.8
361.29684	30.2
362.30017	4.0
512.34662	0.2
523.35004	100.0
524.35358	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	523.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.8
59.01249	0.8
61.98733	0.3
69.03324	0.7
81.03336	0.5
83.04908	0.6
84.68150	0.2
93.03347	0.6
95.04910	0.7
97.02837	0.6
97.06506	1.6
98.03638	0.4
98.96302	0.2
109.02840	0.7
111.04258	0.2
113.09631	0.3
115.07604	0.3
117.03341	0.6
119.04939	0.4
121.02881	0.4
123.04437	0.5
123.08128	0.5
125.09615	0.4
127.11258	0.4
129.09142	0.7
129.69151	0.3
137.02264	0.4
139.03931	0.6
139.11224	0.4
141.09081	0.4
145.02905	3.1
149.09737	0.3
150.10374	0.3
151.11230	14.7
152.11557	1.1
155.10715	1.6
161.02344	0.4
163.11261	0.4
165.12798	3.4
167.10725	0.8
168.11493	0.3
169.12303	89.2
170.12640	5.5
171.10223	1.1
179.10802	0.3
181.12354	0.9
183.13878	0.5
185.11838	2.6
186.12138	0.3
193.15927	1.1
195.10248	1.2
197.11842	1.1
207.10313	0.4
209.11862	0.4
211.13246	0.3
213.11327	100.0
214.11662	5.9
225.11293	0.3
229.10800	0.3
231.12393	2.9
247.17065	0.4
247.17938	0.3
247.20697	3.4
248.21330	0.3
257.00223	0.3
265.21808	0.3
269.51639	0.3
273.18628	0.9
291.19748	22.7
292.20004	2.1
301.80267	0.3
309.20795	37.6
310.21130	3.8
327.21863	4.0
328.22287	0.3
479.32312	0.9
505.31720	0.9
506.32361	0.3
523.32355	10.2
524.32574	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89147	0.2
55.01778	2.5
57.03082	0.4
57.03342	4.0
58.00486	1.8
59.01269	29.8
60.01622	0.4
60.76927	0.2
61.98714	0.8
68.99703	0.3
69.03356	0.4
71.01273	36.8
72.01613	0.9
72.61896	0.2
72.99208	2.1
73.02843	8.7
75.00780	0.6
75.59023	0.2
75.66125	0.2
81.03335	0.2
83.01281	4.9
84.02058	0.3
85.02847	16.6
86.00005	0.5
86.03185	0.5
87.00759	1.6
87.04414	0.8
88.98717	0.3
89.02345	12.6
90.02695	0.2
93.03368	0.3
95.01287	3.8
97.02864	0.6
97.06556	0.2
99.00782	3.4
101.02353	20.1
102.02711	0.5
107.01309	0.3
109.02829	0.3
109.06506	0.2
111.00784	3.1
113.02364	12.7
113.09628	0.3
114.02693	0.5
119.03433	4.4
119.04797	0.2
119.93840	0.2
121.02896	0.2
123.00791	0.9
123.04455	0.3
123.08095	0.6
125.02395	0.7
127.00377	0.2
127.11188	0.8
129.01871	0.7
131.03465	0.3
135.08098	0.3
137.02399	0.3
137.09691	0.2
138.03177	0.2
139.00323	0.8
139.11285	0.2
141.01886	0.3
141.09145	0.5
143.03474	0.8
143.10683	0.4
151.00336	1.2
153.01881	0.4
153.05508	0.2
153.09177	0.7
159.02960	1.7
161.04507	4.6
165.96309	0.2
169.12289	0.5
171.10300	0.2
171.13890	1.7
175.00330	0.4
178.99879	0.3
179.05591	0.8
187.13390	0.7
199.13406	0.2
200.14197	0.3
201.14944	1.5
217.14453	0.4
242.02029	0.2
257.01089	0.4
258.01559	0.2
285.00415	0.2
286.00986	0.4
301.03308	0.5
315.25583	0.7
329.03101	0.3
331.03998	0.2
341.26929	0.2
343.28812	0.2
344.05209	0.3
345.05402	0.5
359.28146	1.8
360.28195	0.3
361.05765	0.7
361.12915	1.0
361.29681	18.1
362.30072	2.2
373.07693	0.4
489.63907	0.2
508.11401	0.3
523.34998	100.0
524.35333	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	523.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42675	0.8
54.79986	0.8
55.01774	1.6
57.03341	2.1
58.00490	1.1
58.20610	0.7
59.01273	18.4
60.07359	0.9
60.99166	0.8
61.98730	2.1
69.03330	0.9
69.58013	5.6
71.01276	35.9
72.01608	1.8
72.99207	2.6
73.02835	12.7
75.00794	1.6
75.55592	0.7
83.01279	4.5
85.02847	15.9
85.99993	0.9
87.00785	3.3
88.98717	1.2
89.02348	11.9
90.02684	1.1
95.01296	2.8
96.95930	2.1
97.02888	3.0
98.19791	1.6
98.97904	0.9
99.00772	7.7
101.02353	25.2
101.03001	1.3
102.02715	2.2
108.02087	2.0
109.02912	2.2
111.00816	0.8
113.02359	13.9
115.03930	0.9
118.02916	1.1
119.03458	1.5
121.02903	1.1
123.00755	0.9
124.01579	0.9
125.02432	3.7
131.03444	2.1
135.04478	0.9
137.02420	1.4
143.03447	1.4
146.02461	1.9
147.04460	0.8
148.99416	2.5
149.04558	2.1
150.00165	4.0
151.00314	1.2
151.03958	1.9
152.01144	2.2
155.10716	1.2
159.02980	2.6
161.02455	1.1
161.04521	12.8
161.05832	1.0
162.04915	0.8
164.04724	1.0
165.05571	1.3
167.03465	5.8
168.00572	0.8
176.98906	4.8
177.99660	15.7
179.07108	1.1
181.05109	1.1
191.05577	1.2
193.01341	0.9
196.99098	1.0
209.11890	3.0
218.47719	0.7
233.06631	1.4
255.03081	1.7
282.04248	1.5
310.03741	4.7
331.17749	9.7
343.10956	1.0
344.02472	9.9
358.47971	0.8
361.16586	1.2
373.16559	0.9
376.14459	0.9
389.16568	1.0
390.16708	1.1
390.22507	1.4
391.16934	4.0
391.22174	1.5
463.21954	100.0
464.22342	13.3
522.26569	1.4
523.20697	4.6
523.27203	27.7
524.27466	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	523.2199
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01771	1.4
57.03330	1.1
58.00463	1.1
59.01267	16.4
61.98694	0.6
66.52391	0.3
69.61549	2.0
71.01272	15.4
72.99187	1.1
73.02833	3.4
81.03399	0.3
83.01283	2.8
84.02087	0.3
85.02850	6.8
87.00776	1.7
89.02337	6.7
91.82429	0.3
93.03334	0.9
95.01286	1.7
96.95922	0.7
97.02831	0.4
98.19779	0.5
99.00771	1.6
101.02351	10.3
108.02100	0.5
109.02867	3.0
111.00780	1.0
113.02363	4.6
119.03433	2.0
121.02872	7.0
122.03676	7.7
123.00807	0.3
123.04480	1.7
124.01566	1.1
125.02342	1.2
129.01825	0.3
134.03622	0.7
135.04449	1.8
136.05257	0.9
137.02353	1.9
143.03450	0.4
147.04454	5.0
148.05142	0.7
149.04451	0.3
149.06010	1.3
150.03172	0.4
153.01859	0.4
154.02599	1.0
159.02954	0.4
159.04352	0.3
161.04504	1.2
161.06017	2.1
162.06804	1.0
163.03926	0.6
165.05531	15.3
166.05757	1.3
171.17683	0.3
171.93427	0.3
173.06039	0.5
174.06715	0.5
175.07584	0.5
176.01019	0.3
176.04744	0.3
177.05516	0.5
177.99648	0.4
178.06274	0.3
179.07104	4.9
180.07784	1.1
191.07100	1.3
193.08655	0.5
199.59354	0.4
208.07300	0.3
209.08092	0.4
209.11786	2.7
210.12065	0.4
223.09653	0.6
223.64865	0.3
227.12865	0.3
239.13156	0.3
244.57338	0.3
253.09277	0.4
283.09695	0.4
297.11087	0.4
298.12155	1.0
299.12939	0.6
313.14450	1.4
315.12543	1.7
316.13062	0.8
328.13113	1.6
329.13919	1.1
331.15640	1.3
343.15558	3.2
344.16016	0.7
346.14276	6.0
347.14883	2.1
361.16653	56.3
362.16968	7.1
423.09671	0.6
463.21857	6.2
464.22308	0.7
493.20822	0.7
505.21359	1.4
508.19516	0.5
523.21979	100.0
524.22308	18.3
534.77246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2199
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01783	1.5
57.03331	1.2
58.00476	0.9
59.01266	22.1
60.01609	0.3
61.98715	0.7
69.03332	0.5
71.01272	21.6
71.62044	0.2
71.62473	0.4
72.99204	2.4
73.02843	4.8
75.00758	0.6
76.53258	0.3
78.95789	0.5
79.56721	0.3
81.03362	0.4
83.01271	3.6
83.02378	0.3
83.04918	0.5
85.02843	9.1
85.99968	0.7
86.03193	0.5
87.00777	1.8
88.98701	0.7
89.02338	9.7
93.03356	1.2
95.01295	1.6
95.04867	0.3
96.95914	6.6
96.96853	1.5
97.02853	0.5
98.02397	0.3
99.00775	2.2
99.73877	0.3
101.02351	14.3
107.74976	0.3
108.02073	1.0
109.02141	0.4
109.02866	5.6
111.00789	0.8
113.02359	6.7
119.03425	3.3
119.04882	0.5
121.02873	11.7
122.03665	10.3
123.00804	0.8
123.04491	2.1
124.01599	2.1
125.02409	1.4
128.66875	0.3
129.03401	0.6
131.03421	1.2
131.12500	0.3
134.03661	1.2
135.04446	2.3
136.01657	0.4
136.05219	1.1
136.97281	0.3
137.02374	3.3
137.06038	0.4
139.00282	0.6
139.03935	0.8
140.01071	0.5
143.03435	0.6
145.02942	0.3
146.02521	0.3
146.03651	0.5
147.04460	7.3
148.05132	0.9
149.04439	0.5
149.06029	1.5
150.03151	0.4
151.03961	0.4
153.01889	2.4
153.05466	0.3
154.02628	1.8
155.03465	0.4
155.10660	0.3
159.02911	0.8
159.04343	0.5
161.04527	1.6
161.06026	2.4
162.06804	0.8
163.03931	0.8
163.11211	0.3
164.04710	0.8
165.05525	22.2
166.05852	1.2
167.03445	0.7
168.04225	0.3
169.01544	0.3
169.05014	0.4
173.05998	0.9
174.06813	0.4
175.07559	1.2
177.05611	0.6
177.09100	0.3
178.06262	0.5
179.05682	0.5
179.07098	7.4
180.07408	0.6
185.04579	0.3
190.06416	0.3
191.07068	2.1
193.05156	0.4
193.08549	0.5
197.04474	0.4
209.08234	0.8
209.11829	7.4
210.11986	0.4
217.10796	0.7
223.09807	0.8
227.12946	1.6
253.09360	1.3
259.11661	0.3
297.11600	0.5
298.12128	1.3
299.12982	0.6
301.10703	0.4
313.11139	0.6
313.14502	2.7
315.12506	1.9
316.13120	0.6
328.13235	1.9
329.13974	1.1
331.17969	0.7
343.11932	0.5
343.15616	4.7
344.16113	0.5
345.13596	0.4
346.14288	9.3
347.14917	3.2
356.12067	0.3
361.16641	81.8
362.17004	11.0
463.21088	3.7
464.21887	0.4
508.19696	0.6
523.21967	100.0
524.22327	19.1
524.30627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19022	0.3
55.01760	0.4
57.03352	0.7
58.85030	0.3
59.00992	0.5
59.01268	5.9
60.01595	0.4
61.98730	1.7
63.96130	0.9
64.52324	0.3
68.69030	0.2
69.03349	0.8
70.01456	0.6
70.01865	0.9
71.01275	11.8
71.01673	0.6
72.01616	0.7
72.99201	0.6
73.02842	2.8
75.00797	0.3
77.81285	0.3
78.95795	0.5
78.98489	4.0
79.95627	7.4
80.96415	54.8
81.03362	1.0
82.03981	0.3
83.01286	1.0
85.02861	4.2
87.00770	2.1
89.02337	3.0
93.03348	0.3
94.91724	0.3
94.97990	13.3
95.01302	1.0
96.95921	1.3
97.02848	1.5
98.20467	0.4
99.00780	0.9
101.02355	5.7
102.02645	0.4
104.56419	0.3
106.98013	2.8
108.02094	0.4
109.02870	1.9
111.00842	0.3
113.02366	2.9
114.02753	0.5
119.03429	1.3
120.03738	0.4
121.02832	0.3
122.97497	5.0
122.98321	0.5
123.00838	0.5
123.04450	1.0
125.02383	3.5
127.03942	0.7
133.02875	0.4
134.97513	3.2
135.04465	0.3
136.99086	1.0
137.02373	0.6
139.03963	0.3
140.01125	1.1
143.03444	0.3
143.22035	0.3
146.97528	0.6
148.99097	5.4
149.02377	0.6
152.01126	0.6
152.98587	6.2
153.01901	2.3
153.05505	0.6
155.03447	1.0
159.02985	0.3
161.04520	1.2
162.04787	0.3
164.98587	10.5
165.05312	0.3
167.00124	0.4
167.03482	0.6
171.04544	0.3
179.00064	0.4
179.03455	0.3
179.05615	0.5
182.99672	2.4
188.98534	0.5
195.06633	1.0
195.13907	0.4
201.15010	0.4
206.99702	3.5
223.13426	2.6
224.13673	0.3
225.00764	17.1
226.01109	0.6
243.01776	2.0
287.22354	0.8
299.04523	2.7
323.97244	0.3
359.28293	0.9
360.28329	1.6
361.29587	2.3
381.13080	0.3
431.26709	0.7
449.27444	2.0
522.33765	4.6
523.18683	100.0
523.34442	8.7
524.19012	12.7
524.25623	0.5
524.35333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.7
57.03345	0.7
59.01270	10.7
61.98718	1.8
67.97031	0.3
69.03345	0.3
69.20129	3.8
71.00902	0.6
71.01276	9.4
71.29749	0.3
72.99188	0.8
73.02840	2.0
74.41879	0.3
77.12442	0.3
78.59150	0.4
80.62697	0.3
83.01279	1.5
83.04897	0.3
85.02847	4.4
85.53941	0.3
87.00770	1.0
89.02332	3.6
95.01292	1.1
97.02821	0.4
99.00781	1.0
101.02348	6.3
107.74895	0.3
108.02070	0.4
109.02856	0.4
113.02364	3.1
114.02665	0.4
117.03403	0.4
118.02895	0.6
119.03400	1.4
119.04211	0.4
123.04508	0.5
125.02343	0.9
137.11440	0.3
145.02885	0.6
146.01361	0.5
146.02428	5.3
153.05562	0.5
161.04555	0.4
185.11893	0.3
209.11772	0.6
311.25949	0.4
313.23819	2.3
341.27118	2.8
342.27142	0.6
343.04858	0.5
347.05923	0.3
353.57980	0.3
359.07870	0.5
359.28107	16.3
360.28586	2.0
401.29047	0.4
429.25128	0.5
461.24237	1.6
462.24200	0.3
503.32516	2.0
504.33029	0.4
521.33459	100.0
522.16083	0.7
522.33820	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	522.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50040	0.2
61.98727	0.2
62.96274	0.2
69.97073	1.0
75.56522	0.2
78.95796	40.9
80.01599	0.2
87.06599	0.2
88.98676	0.4
96.95909	0.2
96.96876	5.4
111.31493	0.2
145.02921	0.5
150.97971	1.7
152.99530	100.0
153.99879	2.3
158.95163	0.2
171.00607	3.9
210.83603	0.2
213.11214	0.2
235.37509	0.2
281.24893	1.5
292.10645	0.2
433.23715	0.6
435.25266	26.7
436.25629	2.9
522.28461	8.3
523.28558	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	2.6
57.03334	2.3
58.00479	1.5
59.01265	37.8
60.01617	0.4
67.01767	0.2
67.27309	0.3
69.03343	0.5
70.54474	0.5
70.54874	0.5
70.59293	0.2
70.77273	0.2
71.01270	39.2
71.04922	0.3
72.01600	0.6
72.99188	2.0
73.02839	12.3
74.40892	0.2
75.00777	0.5
83.01277	5.2
83.04942	0.2
84.02093	0.3
85.02843	15.6
86.03203	0.6
87.00771	2.5
87.04421	0.3
89.02340	20.6
90.02710	0.3
95.01285	4.1
95.01836	0.4
97.02869	0.7
99.00771	3.0
99.08069	0.4
101.02350	27.9
102.02700	0.6
102.92995	0.3
106.29269	0.2
107.17310	0.2
108.02085	0.8
108.78080	0.3
109.02879	0.4
109.37827	0.3
111.00780	0.4
111.06398	0.3
111.08080	0.2
113.02357	15.0
114.02699	0.3
119.03424	9.5
121.10176	0.3
125.02383	1.1
129.01886	0.5
131.03447	0.7
139.07567	0.7
143.03453	1.8
149.04532	0.5
149.05972	0.2
149.13274	1.6
149.44295	0.2
152.01077	0.5
153.01860	0.6
153.05591	0.3
153.09142	1.0
153.12802	0.2
155.45320	0.3
159.02948	1.5
161.04498	6.1
162.04921	0.3
163.24614	0.3
167.10699	0.5
173.11797	5.5
173.13327	0.3
174.12146	0.3
179.05548	3.1
181.12318	0.3
187.13347	1.2
201.14957	1.0
231.21283	0.4
253.07346	0.3
253.21777	0.4
283.22998	0.3
295.22830	0.3
297.24451	0.4
299.25882	1.4
312.21545	0.3
329.27051	0.6
339.25406	0.3
341.27045	1.2
357.26593	0.4
359.07953	0.5
359.28107	32.9
360.28488	4.3
477.17657	0.3
521.33417	100.0
522.33740	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	521.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66725	0.2
52.99739	0.2
55.01770	2.8
57.03338	2.3
58.00487	2.1
59.01269	35.5
60.01596	0.4
61.98722	0.4
68.99698	0.4
70.49908	1.0
71.01273	44.6
71.04902	0.3
72.01601	0.8
72.99194	2.1
73.02840	13.1
74.20311	0.3
75.00781	0.6
83.01276	5.0
83.04934	0.3
85.02845	17.4
86.03183	0.3
87.00776	2.1
87.04405	0.3
89.02342	21.7
90.02692	0.4
95.01295	3.8
97.02847	0.7
97.06467	0.3
99.00784	3.1
101.02348	31.3
102.02705	0.5
108.02061	0.3
109.02860	0.7
111.00799	0.8
113.02360	17.3
113.09644	0.6
114.02688	0.6
119.03420	11.1
121.10143	1.7
122.10486	0.4
123.08088	0.3
125.02367	0.7
125.09621	0.6
127.11217	0.8
129.01862	0.6
131.03441	1.1
132.48125	0.2
135.11736	0.3
137.09666	0.4
138.03049	0.3
139.03729	0.2
143.03421	2.6
144.03711	0.3
149.04510	1.1
151.11342	0.3
152.01047	0.4
153.01871	0.8
153.09181	0.6
155.10693	0.5
155.14206	0.3
157.12238	0.3
159.02963	2.1
161.04518	7.9
167.10782	1.7
179.05592	5.6
181.12325	1.0
183.13809	0.3
185.11864	0.3
187.13365	3.6
199.23430	0.3
201.14954	5.4
230.02240	0.4
239.20200	0.4
242.02345	0.4
257.01019	0.4
258.01709	0.4
263.20422	0.4
267.23355	0.4
270.01764	1.1
273.03860	0.3
274.01117	0.5
283.22861	0.5
285.24725	0.4
286.01236	1.0
293.21790	0.3
295.22833	0.5
297.24570	0.5
299.02176	0.5
299.25903	0.8
301.03613	0.9
313.23874	0.8
314.00717	0.4
327.25351	0.5
329.03110	13.2
329.26968	0.5
330.03522	1.6
339.25552	0.6
341.27148	1.2
343.04593	0.4
344.05438	6.4
345.05844	1.0
357.26581	1.1
358.77463	0.3
359.07794	19.3
359.28110	44.4
360.08228	2.8
360.28433	5.6
491.31940	0.5
521.33441	100.0
522.13000	0.4
522.33820	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	521.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	3.0
57.03343	2.6
58.00496	2.3
58.41024	0.5
59.01266	41.4
60.01604	0.8
60.99197	0.4
61.98729	2.7
67.53609	0.4
69.03331	1.1
69.19949	5.4
71.01272	56.1
71.04910	0.6
72.01589	1.2
72.99207	2.6
73.02838	13.9
75.00768	1.4
78.95808	1.5
79.95641	0.5
83.01279	5.6
84.02079	0.7
85.02847	22.2
85.99998	0.6
87.00780	2.8
87.04424	3.4
89.02341	28.8
90.02662	0.5
93.03365	4.8
95.01289	5.2
95.04938	0.9
96.95919	11.7
96.96854	2.7
97.02864	1.1
97.06490	5.8
98.19844	1.2
98.95477	0.6
99.00777	5.1
99.04408	0.6
101.02353	35.3
102.02702	0.7
108.02074	7.2
109.02885	5.4
111.00809	1.1
113.02364	20.7
113.09602	0.5
114.02697	1.0
115.03889	0.5
119.03416	10.0
120.01192	1.3
120.31305	0.5
121.02876	2.4
123.00816	2.4
123.04453	5.9
124.01596	1.4
125.02402	4.0
125.09670	0.6
129.01825	1.1
131.03424	1.7
134.03656	0.6
135.04448	0.7
137.02368	5.3
138.03122	0.5
139.03922	1.4
143.03468	2.6
149.02351	0.6
149.04494	1.4
151.03957	0.8
152.01100	7.1
153.01889	2.9
153.05521	7.7
159.02924	1.9
161.04503	8.1
162.01898	0.6
163.03897	0.6
165.01883	1.4
167.03407	1.3
167.10739	2.3
169.15919	0.9
175.03978	0.6
177.01909	0.8
179.05630	4.8
179.07092	0.6
179.10698	0.6
183.02940	2.0
187.13368	4.7
189.13026	0.5
193.01701	0.4
193.05063	1.5
197.06059	0.6
197.15498	0.8
223.06117	1.3
225.18642	0.6
227.07187	2.4
227.16528	2.1
231.21259	0.6
233.06638	1.3
241.18111	2.1
243.19705	6.5
265.07468	0.6
271.02631	1.9
273.03992	0.5
275.02106	1.8
293.08896	1.5
297.00552	0.6
298.01303	1.6
299.26053	1.1
300.02750	1.0
301.03784	0.5
312.02802	0.6
313.03607	6.7
314.03934	1.4
315.07413	0.9
323.25922	0.8
327.04797	0.5
329.03183	1.5
330.03857	0.8
341.26968	1.8
343.04501	2.7
344.05432	4.4
345.06064	1.3
357.26447	0.7
359.07822	10.7
359.28113	32.4
360.08142	1.4
360.28540	3.8
405.25150	0.7
413.10941	1.3
461.23810	0.5
477.17593	2.9
503.32690	1.1
506.10614	0.5
521.13373	3.0
521.17487	3.1
521.33429	100.0
522.17676	0.8
522.33777	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	521.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.8
59.01252	2.9
69.89972	4.4
78.95796	1.6
83.04970	1.1
90.77872	1.0
96.95890	0.9
97.02882	1.2
97.06498	2.3
123.04465	1.7
123.08098	1.3
125.09640	2.5
137.09683	2.0
141.05534	1.0
141.54572	0.9
143.73997	1.0
151.11220	20.6
152.99492	2.2
153.09128	2.3
163.11198	3.9
169.12305	99.2
170.12663	5.9
171.10226	3.8
185.11812	5.9
191.14360	5.1
207.10260	2.3
209.11864	3.0
213.11324	100.0
214.11670	6.0
221.65750	1.1
225.11322	1.7
245.19180	9.3
289.18170	41.7
290.18622	4.6
306.29889	1.0
307.19229	47.9
308.19537	6.3
325.20233	8.3
326.20581	1.8
371.47568	1.0
381.05960	1.0
521.31311	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	521.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.7
57.03343	3.2
58.00474	1.9
59.01267	41.7
60.01602	0.8
61.98717	2.6
68.99667	0.5
69.03337	1.3
71.01273	46.5
71.04884	0.5
71.52795	0.5
71.92388	0.4
72.01588	1.3
72.99204	2.9
73.02844	13.0
75.00769	1.4
78.30550	0.5
78.95767	0.6
81.03355	0.8
83.01279	5.4
85.02348	0.8
85.02850	16.7
86.03213	0.5
87.00793	2.3
87.04409	0.7
89.02341	23.9
93.03375	0.7
95.01271	4.0
96.54658	0.4
96.79169	0.4
96.95905	2.1
96.96882	0.4
97.02862	2.2
97.06509	1.3
98.02355	0.4
99.00783	5.4
100.01112	0.5
101.02351	26.9
103.03941	0.5
105.39028	0.4
108.02061	2.3
109.02888	2.8
111.00782	2.4
113.02362	15.7
114.02720	0.7
119.02682	0.7
119.03432	7.0
121.02883	0.9
121.10129	1.8
123.00842	0.6
123.04435	1.8
124.01458	0.5
125.02376	5.7
127.11198	1.2
129.01860	0.8
131.03418	1.9
132.30418	0.5
135.04456	0.5
137.02383	3.0
138.03131	0.7
139.00337	0.5
140.01059	0.6
140.10486	0.5
143.03459	2.2
149.04495	2.6
151.03992	1.0
152.01093	1.6
152.04498	0.5
153.01852	2.0
153.09245	0.5
155.10791	0.7
157.12227	0.6
159.02945	2.3
159.04233	0.4
161.04504	5.8
166.02791	0.6
167.03436	0.5
167.10741	12.5
168.11026	0.9
171.13843	1.0
173.11801	1.4
173.80357	0.5
175.03972	0.9
177.01987	0.5
179.05591	2.4
187.13336	0.8
191.05576	1.2
193.05124	0.7
201.14949	6.8
202.15460	0.5
209.11761	0.5
229.01485	1.2
229.07071	0.5
230.02260	0.6
233.06651	3.3
241.01372	0.5
242.02045	0.7
245.04652	0.6
256.03802	0.6
257.00946	7.8
257.15445	0.5
258.01620	2.1
269.00861	0.6
272.03488	2.4
273.07709	0.5
285.00497	5.6
286.01254	6.2
287.01700	0.8
293.08875	18.3
294.09167	1.3
300.02832	6.0
301.03625	6.3
304.06180	0.9
313.00073	0.6
314.00589	0.8
315.05252	1.9
328.02255	4.2
329.03107	16.3
330.03644	2.3
342.04263	2.3
343.04691	28.6
344.05356	13.2
344.12506	3.1
345.06061	2.6
358.07153	2.7
359.07837	35.4
359.14703	7.3
359.28082	19.2
360.04611	5.8
360.08502	2.4
360.15454	1.3
360.28378	2.0
363.20258	1.9
389.21967	0.9
401.08945	0.6
503.32431	0.7
506.10403	1.0
521.12903	21.8
521.27374	3.7
521.33441	100.0
522.10535	8.1
522.26819	0.8
522.33759	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	521.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
56.71109	0.8
57.03346	1.5
58.00480	3.0
59.01267	100.0
60.01588	1.2
61.98717	5.0
69.03350	2.2
71.01272	48.7
72.99200	4.2
73.02836	23.3
75.00764	1.2
81.03334	1.8
83.01287	4.9
85.02848	14.9
86.00011	1.4
87.00775	7.8
87.04420	3.3
89.02341	48.0
90.02659	1.1
95.01295	1.9
97.02847	1.8
99.00780	1.7
99.04397	1.0
101.02354	56.9
102.02687	1.1
103.03923	17.4
106.06539	1.2
108.02073	0.9
109.02856	2.0
111.00819	1.0
113.02366	12.7
115.03925	4.8
119.03422	16.5
120.03785	0.8
123.00794	2.0
123.04434	11.6
124.01585	4.6
125.02379	7.6
127.03978	1.4
131.03444	12.8
139.00290	2.3
139.03911	3.0
143.03455	11.9
145.05013	7.1
148.05240	2.3
149.04507	6.9
150.05536	1.8
153.01872	4.0
153.05533	14.7
154.02640	1.3
161.04494	3.9
163.06076	69.0
164.06348	2.1
167.10735	27.4
168.11142	1.5
175.03925	0.9
179.05576	2.8
179.10660	0.8
191.05540	2.8
205.07161	23.6
206.07568	1.0
207.06679	5.9
226.71704	0.8
227.10516	1.0
237.14986	2.2
247.08214	3.5
265.09409	4.5
293.08850	9.0
307.10330	4.7
315.18210	2.6
341.16791	0.9
359.07700	1.4
359.28033	2.7
375.02325	0.9
461.24097	23.5
462.24408	3.7
521.14545	1.1
521.33240	9.1
522.33929	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
59.01265	0.7
69.03342	0.7
71.62780	0.3
71.63145	0.3
78.95796	6.0
81.03362	0.8
83.04929	0.5
95.04936	0.7
96.96884	1.0
97.02855	0.8
97.06485	1.4
106.04124	0.4
106.45840	0.2
109.06532	0.5
111.08081	0.3
121.06497	0.5
123.04443	0.9
123.08028	0.6
125.09627	1.5
125.55923	0.3
127.07648	0.3
134.53712	0.3
135.08109	0.6
137.09628	1.0
141.05534	0.3
141.12698	0.3
151.11237	16.5
152.11598	0.6
152.99535	12.3
153.09186	1.1
153.99899	1.9
159.65630	0.2
161.09659	0.4
163.11255	2.1
165.12828	0.5
167.10701	0.4
169.12302	93.5
170.12637	6.4
171.10233	1.4
175.11250	0.3
177.12769	0.3
179.10809	0.4
181.12308	0.4
185.11803	2.7
186.12157	0.3
191.05376	0.2
191.14397	2.9
192.14668	0.3
195.10284	1.1
197.11961	0.6
207.10199	1.2
209.11827	2.2
213.11324	100.0
214.11662	6.0
217.15904	0.5
225.11320	1.0
226.12024	0.4
229.10765	0.4
243.17641	0.2
245.19124	6.0
246.19446	0.6
263.20251	0.2
267.58206	0.3
271.17099	0.6
272.17410	0.3
289.18170	22.6
290.18451	2.3
307.19229	30.0
308.19553	2.9
325.20340	3.8
326.20755	0.6
433.23853	0.5
434.24084	3.0
435.24670	0.3
456.86908	0.3
485.29126	0.5
503.30328	1.0
521.31702	4.1
522.31677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09846	0.5
55.01766	0.9
57.03359	1.3
57.73817	0.5
58.00477	1.4
58.38211	0.5
59.01266	66.5
60.01614	0.9
61.98719	5.5
69.03346	1.7
69.30376	5.7
71.01273	49.5
72.01610	1.0
72.99207	3.6
73.02845	7.6
78.95811	0.7
81.03349	1.1
83.01281	3.5
85.02843	12.2
87.00755	3.2
87.04420	0.8
89.02341	45.9
90.02679	1.0
95.01317	3.2
96.95878	1.1
97.02852	2.0
97.06474	3.9
98.19762	1.0
99.00783	3.9
99.04404	1.7
101.02349	27.1
102.02679	0.8
103.03945	1.7
107.04939	0.9
108.02088	2.3
109.02889	4.7
111.00787	0.8
113.02364	12.7
115.03893	0.9
116.60156	0.6
119.03418	6.7
120.01194	3.5
121.02900	1.0
123.00796	1.3
123.04451	11.0
124.01546	1.0
125.02374	16.5
129.01819	0.9
131.03436	18.4
132.02103	1.3
134.03680	2.8
135.04465	4.3
137.02327	1.0
139.03967	1.0
143.03453	3.3
145.02895	0.8
146.02435	4.1
146.03433	0.8
149.04509	16.9
153.01883	2.5
153.05521	19.5
154.05873	1.0
159.03003	0.7
160.01627	4.2
161.02357	0.6
161.04506	9.4
162.04877	1.4
163.06099	7.9
167.03555	0.8
167.10736	100.0
168.04239	1.2
168.11084	4.9
175.03966	5.6
177.05373	0.7
178.02567	0.7
179.03517	0.9
179.05586	2.0
183.06598	1.0
191.05589	5.4
191.10712	1.4
193.05069	3.5
205.07166	2.0
209.11774	1.1
233.06682	1.8
243.19650	1.6
247.08315	2.1
253.07246	0.8
293.08856	18.9
294.09195	1.6
329.03259	0.8
337.09482	3.5
343.04486	0.8
345.06549	0.7
359.07623	1.3
359.11502	1.4
359.28149	8.0
390.43713	0.6
461.19632	5.1
520.32056	0.9
521.12866	0.8
521.20203	2.4
521.33441	27.7
522.33807	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.204
Annotation	trans-Dihydrodehydrodiconiferyl alcohol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01770	2.0
57.03339	2.8
58.00483	1.2
59.01271	19.6
70.93777	0.9
70.94102	1.5
71.01278	20.0
72.99208	2.7
73.02834	4.5
75.00767	4.1
81.03368	0.9
83.01278	2.9
85.02843	11.5
85.99991	1.6
87.00758	3.7
89.02330	5.6
93.03413	0.9
95.01287	3.4
96.95907	3.5
99.00792	3.3
101.02357	10.2
103.00288	1.4
108.02109	1.9
109.02871	18.8
111.00775	1.1
113.02368	12.8
115.00385	0.8
118.17802	0.7
119.03437	1.2
119.04976	0.8
121.02869	4.9
123.00748	1.3
123.04411	0.8
125.02360	0.9
133.02893	1.2
135.04442	2.3
137.02390	1.5
137.34277	0.7
139.00354	1.1
143.09590	0.8
145.02866	1.3
145.24373	0.7
147.04430	1.3
151.00253	0.8
152.01085	0.8
153.01894	21.8
154.02322	0.8
159.04492	1.6
160.01628	1.6
161.02393	4.2
161.04556	1.2
165.14667	0.9
167.03497	0.8
175.02492	1.4
175.03938	1.3
176.01273	0.7
183.03001	1.2
187.04027	1.6
190.02748	1.3
193.04929	0.9
199.03896	0.8
203.03490	1.4
215.03500	1.5
243.02980	3.3
243.34830	0.8
253.08812	1.2
254.31491	0.8
255.06709	1.2
258.01678	0.8
259.02588	3.0
265.08813	1.1
267.06628	2.2
268.07367	3.6
269.08176	3.9
270.08994	2.6
271.02518	4.5
271.09427	1.3
280.07550	1.6
281.08325	11.6
282.08847	3.9
283.09888	6.2
284.10266	0.9
287.02032	9.7
293.08218	4.0
294.08969	0.9
295.09781	3.2
296.06964	1.1
296.10519	2.8
297.11209	0.8
299.09351	4.6
300.09973	1.2
301.03650	0.9
311.09305	4.4
312.09982	1.7
313.10910	1.3
314.08008	1.9
314.11691	8.7
315.01569	21.4
315.12387	4.2
316.01962	2.5
323.07629	1.1
325.11096	1.0
326.11682	11.3
327.12244	8.1
328.13037	0.9
329.13956	8.9
330.03894	17.0
330.14563	1.7
331.04260	2.3
341.14026	9.3
342.14517	1.3
343.04837	1.0
343.11978	3.4
345.06247	57.5
346.06525	7.3
355.11966	3.9
356.12506	1.4
359.04126	3.4
369.13696	1.8
385.15057	2.3
445.15152	1.1
461.14572	1.8
473.14621	5.6
476.16989	9.1
477.17374	0.9
488.16864	6.8
491.19376	100.0
492.19788	14.7
503.19406	98.0
503.27173	1.6
504.12604	1.5
504.19714	17.3
521.08777	1.2
521.26410	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	521.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03328	1.0
58.00473	1.7
59.01268	31.7
61.98688	0.6
70.39423	0.7
70.39771	2.3
71.01274	23.3
72.99190	2.5
73.02837	2.4
75.00783	0.7
79.12897	0.6
83.01270	1.9
85.02847	6.3
87.00766	1.8
89.02344	15.8
99.00779	1.0
101.02357	4.2
109.02837	1.4
111.00757	0.9
113.02384	3.1
119.03426	0.6
119.04923	0.8
120.80683	0.6
121.02864	1.9
121.06536	0.8
123.00799	1.0
123.04420	0.8
124.01583	2.6
125.02375	1.2
131.03424	1.2
134.03690	0.9
135.04498	1.7
135.62830	0.5
137.02371	0.8
138.03181	1.3
139.03928	4.5
145.02896	1.3
149.04544	1.3
150.03157	0.7
150.05534	1.0
152.35535	0.5
153.01865	0.8
153.05498	2.1
159.04446	1.4
160.01591	1.5
161.02501	0.7
161.04482	1.3
165.05467	0.7
167.03423	1.0
168.00587	0.8
168.72691	0.5
172.05217	2.6
173.05992	3.2
175.03929	2.1
187.07631	3.5
189.05562	0.8
191.07152	1.3
192.05742	0.6
193.04979	0.9
194.04610	0.9
203.07166	1.3
219.11165	0.6
227.07104	0.6
235.06122	1.5
240.94209	0.7
253.05066	1.8
256.03741	3.2
257.04520	0.9
267.06573	0.9
271.06247	3.3
277.05032	0.8
279.06723	1.8
283.06158	2.2
285.07721	0.9
293.08511	0.7
295.05853	3.1
296.07001	2.7
297.07639	1.5
298.08572	2.6
299.09128	1.0
304.77518	0.6
309.07706	1.7
310.08481	1.7
311.09204	4.0
313.07303	1.2
313.10825	1.2
314.08051	0.7
316.09601	1.1
325.10931	5.4
326.07947	3.6
326.11600	2.3
327.08621	1.7
328.09543	2.1
329.10294	1.8
341.10342	14.2
341.14267	1.1
342.10733	2.1
343.11914	7.5
344.08936	1.5
344.12616	1.1
355.11581	1.2
356.12619	7.8
357.13254	1.8
359.11432	16.8
359.15076	0.6
360.11853	2.6
371.15073	12.6
372.15366	1.1
374.13797	23.4
375.14139	3.3
389.16174	66.3
390.16495	9.1
506.17963	1.4
521.20355	100.0
522.20795	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	521.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09269	0.5
57.03333	1.0
58.00491	0.6
59.01265	22.5
60.99193	3.1
61.98721	0.8
69.41721	1.3
69.42126	4.1
71.01271	17.1
72.99197	1.6
73.02834	1.5
74.80624	0.5
85.02840	3.5
88.98704	21.7
89.02338	20.9
90.02679	0.6
95.01263	0.9
96.95908	1.6
97.06510	0.9
98.20565	1.0
101.02368	4.0
105.60889	0.6
109.02836	0.8
113.02379	5.7
119.03432	1.1
124.01612	0.9
131.03436	2.1
132.02104	2.4
139.03990	0.8
149.04471	3.3
152.01169	0.6
160.01631	6.5
161.04491	1.6
166.06339	0.7
167.03452	0.8
175.03957	1.5
177.31458	0.7
179.07106	1.2
180.07899	0.6
181.08809	0.8
183.02928	2.4
185.00847	0.7
193.05009	0.6
196.60080	0.7
205.05051	0.9
209.04300	0.6
211.03993	2.1
223.09625	0.9
226.06296	0.7
241.08723	0.8
242.09514	5.8
243.09854	0.9
245.08199	1.1
246.09027	2.4
253.08748	1.5
254.09425	1.3
257.11896	4.8
258.08896	0.8
270.09030	9.7
273.11356	1.0
281.04651	1.8
281.08044	1.3
282.05469	0.7
282.08908	3.0
283.09662	1.3
285.11389	10.0
286.11655	1.3
293.08380	0.8
295.09802	0.9
296.10715	1.0
297.07724	1.3
298.08527	8.2
299.08929	1.5
302.08194	0.7
309.07907	1.4
310.08560	4.6
311.09396	5.7
312.10037	1.1
313.10898	6.1
315.01520	0.7
322.32587	0.6
323.09088	1.9
324.10098	3.2
325.10822	9.7
326.08041	8.5
326.11649	3.8
327.08405	0.9
327.12128	0.7
339.12366	1.7
340.13281	1.6
341.10379	66.8
342.10718	8.5
356.12747	21.3
357.13092	2.1
359.28018	0.8
371.15091	100.0
372.15451	12.1
405.24832	0.9
521.13391	1.3
521.26099	0.9
521.33368	9.6
522.33813	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	521.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26591	0.2
55.01695	1.2
57.03258	1.1
58.00428	0.4
59.01188	12.4
59.01519	1.6
66.19324	0.2
67.01693	0.2
69.03275	0.6
70.03340	0.9
71.01190	23.0
71.01620	2.0
71.01814	0.9
71.04845	0.5
72.01552	0.4
72.27148	0.2
72.99115	1.0
72.99500	0.4
73.02756	8.2
73.03201	0.5
75.00676	0.7
78.81364	0.2
83.01276	2.9
85.02843	8.4
87.00687	1.0
89.02342	8.8
89.02832	0.5
93.03302	0.4
95.01197	1.4
96.95918	1.9
97.02847	1.2
99.00775	4.7
101.02348	15.2
102.02627	0.3
106.60019	0.3
108.02040	0.4
109.02785	0.5
111.00717	0.7
113.02354	7.5
115.03812	0.8
119.03300	0.8
121.02888	3.6
122.03651	1.5
123.00824	1.2
123.04311	1.1
124.01460	0.9
125.02383	2.2
129.01753	0.4
131.03432	1.6
135.04338	1.0
136.01520	0.4
136.05139	0.8
137.02391	1.1
137.05893	0.5
138.03183	0.3
139.03821	0.7
139.07466	0.3
143.03320	0.9
143.04936	0.6
145.02708	0.3
146.03537	0.4
147.04442	1.6
149.02425	1.8
149.04398	1.8
149.05724	0.5
150.03177	4.7
151.03836	0.4
153.05403	0.8
155.10750	2.1
158.03673	1.5
159.02876	1.3
159.04358	7.3
160.05249	24.1
160.07272	0.6
161.04398	7.2
161.05887	6.5
162.06308	0.3
163.03955	5.0
164.04732	5.0
165.04970	0.4
168.04152	0.3
173.06036	3.9
174.06541	0.4
175.04030	0.5
175.07602	22.3
176.04675	0.4
176.07899	1.2
177.05530	6.6
178.06323	7.6
187.07581	0.5
189.01909	0.3
189.05437	0.3
191.03426	0.2
191.05475	0.7
191.06998	0.6
192.07813	0.8
193.04964	0.4
193.08658	2.8
205.03471	0.4
227.14580	0.3
227.16541	3.2
228.25223	0.3
233.06549	1.5
252.16287	0.3
256.03708	0.4
269.08350	0.4
271.05951	0.4
283.06049	0.4
283.09717	0.2
293.08939	1.4
295.06235	0.3
298.08630	0.3
311.09195	0.7
314.11752	1.0
325.10913	0.6
326.08093	0.5
329.14008	100.0
330.14352	12.6
337.09323	0.3
341.10361	2.1
341.14029	0.5
343.11978	0.6
356.12811	0.8
359.11325	1.5
359.15115	4.5
360.15579	0.4
371.15231	1.6
371.20010	0.3
374.13803	3.2
375.14178	0.3
389.16226	8.5
389.21951	7.7
390.16623	1.3
390.22324	1.0
435.21796	0.3
518.83099	0.3
521.20239	7.4
521.26483	53.2
522.20410	1.3
522.26843	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	521.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29005	0.6
59.01264	4.5
59.21408	0.6
70.94529	0.6
70.94884	1.8
71.01263	4.5
71.04906	0.9
72.99194	3.9
73.02856	1.8
75.00764	28.5
78.95782	2.0
81.03358	2.2
85.02846	2.9
87.00769	4.1
89.02349	2.1
93.03354	1.0
96.95931	0.9
96.96864	4.7
99.00794	1.0
99.04393	1.1
101.02351	0.9
109.02896	1.1
111.00761	1.0
113.02333	0.8
118.99736	0.6
119.03365	0.8
125.02375	1.1
135.00885	0.9
135.04570	1.1
143.03427	6.6
147.02859	0.9
149.04482	1.0
158.90225	0.6
161.00912	0.8
161.04546	4.4
167.02017	1.0
173.00923	0.7
176.04787	0.6
179.05577	100.0
180.05864	3.3
191.05569	15.2
192.06041	1.2
220.96368	0.7
221.86404	0.7
278.82004	0.7
329.08810	2.5
341.11313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69572	0.3
55.01770	2.2
57.03339	1.4
58.00475	0.8
59.01269	15.2
70.85519	0.8
71.01275	13.9
72.99208	1.5
73.02843	3.7
83.01283	2.4
84.02061	0.3
85.02851	6.0
86.00014	0.6
87.00762	1.5
88.45364	0.3
89.02337	4.7
95.01295	1.3
97.02875	0.4
99.00784	1.2
101.02355	9.7
106.60097	0.2
108.02092	0.7
109.02875	9.5
110.03227	0.5
111.00744	0.4
113.02372	3.9
113.08412	0.3
119.02045	0.3
119.03426	2.5
121.02868	0.3
123.04442	0.8
124.01532	0.3
125.02356	0.5
143.03423	0.3
148.13287	0.3
152.50414	0.3
159.03094	0.6
159.04477	4.9
161.04506	0.9
171.04449	0.7
172.05264	1.0
173.06046	3.3
185.05984	0.5
187.07613	0.9
188.04697	0.4
189.05521	3.0
190.06247	0.6
191.07115	1.5
201.05573	0.4
203.07086	1.4
205.08774	0.6
240.04285	1.0
241.05109	6.4
242.05591	0.8
250.65704	0.3
251.07245	0.3
255.06651	3.6
256.07245	0.5
265.08688	0.3
267.06619	0.6
269.08286	1.0
280.07471	0.6
281.08212	1.4
282.08551	0.3
283.09875	0.7
295.09659	2.2
296.10571	0.8
298.08603	0.4
299.09338	3.5
311.09412	0.9
312.10199	0.4
313.10919	6.0
314.11356	0.5
326.11694	1.2
327.12350	0.7
329.10397	2.6
329.13892	0.5
330.10837	0.4
341.14041	1.8
343.12009	1.0
344.12738	19.1
345.13217	3.3
359.15100	64.5
360.15442	7.9
491.44278	0.3
521.20428	100.0
522.20770	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	521.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.4
57.03352	1.5
58.00502	1.2
59.01269	22.5
60.01619	1.5
61.01712	0.6
61.40717	0.5
61.98737	2.8
71.01275	27.8
71.04948	0.8
71.56313	0.5
72.01633	1.9
72.99197	2.6
73.01797	0.5
73.02840	6.8
73.03183	0.5
78.95809	2.0
81.03384	0.7
83.01276	4.4
85.02848	9.7
86.03190	0.8
87.00794	2.0
88.98744	0.6
89.02339	12.9
90.02688	0.6
93.03374	1.1
95.01317	2.1
95.04945	0.8
96.95917	13.4
96.96866	2.3
97.06532	0.7
98.02439	0.6
98.95518	1.2
99.00779	3.4
101.02351	17.8
101.02996	1.0
102.02698	1.2
108.02103	2.2
109.02876	3.6
110.00078	0.5
113.02354	9.0
114.02660	1.2
119.03413	6.5
119.04920	0.5
121.02902	1.6
123.00815	0.9
123.04445	13.0
124.01598	1.0
124.04781	0.7
125.02377	1.7
125.09637	0.5
131.03433	0.9
132.02107	19.1
132.03105	1.1
133.02933	2.7
134.03677	13.6
135.04390	0.7
136.04875	0.6
137.02382	2.0
139.00345	0.7
139.03931	0.8
143.03453	2.3
147.03204	1.2
147.04367	0.6
149.02429	0.5
149.04779	0.5
149.06044	3.4
149.13377	0.6
151.03957	6.0
152.01097	1.4
153.01891	22.9
153.05518	17.3
154.02290	1.2
154.05893	0.7
159.02977	0.5
160.01616	82.0
161.01933	4.9
161.04507	4.1
161.09698	1.3
162.01942	0.7
163.03966	0.6
163.06059	1.1
167.03429	0.9
168.04234	23.3
169.04630	1.6
175.03972	100.0
176.04344	5.3
177.01897	1.3
178.02533	0.8
179.03494	1.4
179.05589	1.7
179.10728	1.1
183.06593	4.3
192.04137	0.5
193.05049	14.9
194.05423	0.9
197.11818	0.5
201.15027	1.1
217.05099	0.7
227.07069	0.6
273.07690	2.0
277.07278	0.6
312.31946	0.5
314.08020	0.5
315.18018	1.3
322.24768	1.0
337.09375	40.4
338.09793	2.9
343.04468	1.4
345.06323	0.7
357.26624	3.9
358.26913	6.5
359.07648	0.7
359.27655	8.0
367.14050	0.8
461.23981	5.5
462.24335	1.1
506.13312	0.6
520.32275	8.7
521.16516	45.2
521.32892	29.2
522.16815	9.0
522.33374	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.4
59.01266	3.2
61.98743	1.9
69.60221	3.4
71.01274	4.7
73.02867	1.2
75.00766	0.5
82.94353	0.4
83.01300	0.9
84.36192	0.4
85.02864	1.9
87.00777	0.5
89.02363	1.8
91.01794	0.5
91.67182	0.5
93.03377	0.8
95.01299	0.7
95.04965	1.5
96.78968	0.5
96.95914	6.6
96.96862	0.6
97.02890	0.4
98.19836	0.5
99.00774	0.6
101.02367	2.2
108.02094	1.1
109.02869	0.5
113.02367	1.6
115.07606	0.5
119.01310	1.7
119.04932	0.6
121.02885	1.3
122.03683	1.0
123.04444	93.2
124.04772	3.7
125.02362	3.6
130.03493	0.4
132.02126	1.2
134.03670	3.5
135.04433	1.0
137.02386	1.3
138.03156	8.3
139.00311	0.6
146.93021	0.6
147.00829	1.4
149.02374	7.4
149.06088	0.6
151.00282	1.2
151.03922	1.0
153.01863	1.5
153.05521	100.0
154.05862	5.0
160.01627	6.7
161.02364	0.9
163.03922	1.0
164.04742	8.1
165.01927	1.3
167.03441	0.7
168.04234	12.0
169.04625	0.8
174.12431	0.5
175.00345	11.7
175.03960	10.1
176.00780	0.7
176.04301	0.6
177.01799	0.8
179.03419	0.5
179.07109	2.1
183.06601	15.3
184.06853	1.0
190.02693	35.3
191.03159	1.9
193.01302	0.6
193.05055	2.8
195.06557	0.5
205.05054	46.7
206.05429	3.7
208.03639	1.4
209.04521	1.0
220.92784	0.5
221.08194	0.5
223.04126	0.8
223.06133	11.0
224.06438	1.0
225.07622	1.1
230.02107	1.0
232.03809	0.5
247.06084	1.1
258.01627	1.5
259.02573	0.7
286.01233	3.7
287.00140	0.7
297.09711	0.7
298.01550	0.7
300.02774	0.6
301.00357	0.7
301.03610	13.3
302.03891	1.1
309.20313	0.5
311.09027	0.7
315.01401	1.0
315.10791	2.1
329.03146	7.1
330.03418	1.5
337.09372	16.0
338.09485	1.7
341.10202	0.8
344.05457	3.3
345.06177	3.0
345.10126	0.5
345.11465	0.4
352.07513	0.7
353.08350	0.4
359.07809	11.1
359.12607	0.6
359.14200	0.7
360.07974	1.4
367.10413	84.8
368.10751	9.1
371.14590	1.7
463.08917	2.7
491.08279	4.9
492.08514	0.5
506.10172	0.8
521.12427	20.4
521.26184	1.5
521.33044	1.1
522.12714	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	521.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.4
57.03352	1.5
58.00502	1.2
59.01269	22.5
60.01619	1.5
61.01712	0.6
61.40717	0.5
61.98737	2.8
71.01275	27.8
71.04948	0.8
71.56313	0.5
72.01633	1.9
72.99197	2.6
73.01797	0.5
73.02840	6.8
73.03183	0.5
78.95809	2.0
81.03384	0.7
83.01276	4.4
85.02848	9.7
86.03190	0.8
87.00794	2.0
88.98744	0.6
89.02339	12.9
90.02688	0.6
93.03374	1.1
95.01317	2.1
95.04945	0.8
96.95917	13.4
96.96866	2.3
97.06532	0.7
98.02439	0.6
98.95518	1.2
99.00779	3.4
101.02351	17.8
101.02996	1.0
102.02698	1.2
108.02103	2.2
109.02876	3.6
110.00078	0.5
113.02354	9.0
114.02660	1.2
119.03413	6.5
119.04920	0.5
121.02902	1.6
123.00815	0.9
123.04445	13.0
124.01598	1.0
124.04781	0.7
125.02377	1.7
125.09637	0.5
131.03433	0.9
132.02107	19.1
132.03105	1.1
133.02933	2.7
134.03677	13.6
135.04390	0.7
136.04875	0.6
137.02382	2.0
139.00345	0.7
139.03931	0.8
143.03453	2.3
147.03204	1.2
147.04367	0.6
149.02429	0.5
149.04779	0.5
149.06044	3.4
149.13377	0.6
151.03957	6.0
152.01097	1.4
153.01891	22.9
153.05518	17.3
154.02290	1.2
154.05893	0.7
159.02977	0.5
160.01616	82.0
161.01933	4.9
161.04507	4.1
161.09698	1.3
162.01942	0.7
163.03966	0.6
163.06059	1.1
167.03429	0.9
168.04234	23.3
169.04630	1.6
175.03972	100.0
176.04344	5.3
177.01897	1.3
178.02533	0.8
179.03494	1.4
179.05589	1.7
179.10728	1.1
183.06593	4.3
192.04137	0.5
193.05049	14.9
194.05423	0.9
197.11818	0.5
201.15027	1.1
217.05099	0.7
227.07069	0.6
273.07690	2.0
277.07278	0.6
312.31946	0.5
314.08020	0.5
315.18018	1.3
322.24768	1.0
337.09375	40.4
338.09793	2.9
343.04468	1.4
345.06323	0.7
357.26624	3.9
358.26913	6.5
359.07648	0.7
359.27655	8.0
367.14050	0.8
461.23981	5.5
462.24335	1.1
506.13312	0.6
520.32275	8.7
521.16516	45.2
521.32892	29.2
522.16815	9.0
522.33374	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.0
57.03322	1.7
58.00469	1.3
59.01268	28.6
61.62151	0.5
61.98734	4.7
69.03336	1.3
71.01275	30.3
72.01611	0.6
72.99185	2.3
73.02837	5.6
73.46127	0.4
75.00756	0.8
78.95775	0.5
83.01273	2.2
83.91305	0.6
85.02853	7.8
87.00764	2.2
87.04411	1.7
87.32632	0.5
89.02345	25.6
93.03359	5.8
95.01278	1.9
95.14585	0.5
97.02833	2.3
97.06472	2.0
99.00783	2.8
99.04449	0.6
101.02361	15.2
107.04964	0.7
108.02065	1.8
109.02837	2.0
109.06452	0.5
111.00780	0.9
113.02362	8.9
115.03931	0.5
119.03423	4.0
120.01165	0.6
121.02885	10.5
123.00809	1.6
123.04448	15.5
125.02374	7.8
131.03459	4.5
134.03590	0.8
136.01677	0.6
137.02379	6.0
138.03140	1.8
139.03929	1.3
143.03413	1.4
144.78192	0.5
145.02881	1.6
146.02359	0.8
146.03340	0.9
149.04495	5.9
153.01799	0.9
153.05527	25.3
154.01482	0.5
154.05785	1.0
161.04527	4.7
163.00290	1.2
164.04753	7.0
165.01898	2.4
165.25253	0.5
167.03473	0.7
167.10739	10.8
168.11072	0.7
169.01378	0.9
178.02728	0.5
179.03476	0.6
179.05560	2.4
179.07092	5.6
179.10707	1.8
181.08495	0.6
187.13419	0.5
191.05627	1.6
193.05014	1.8
194.52911	0.5
202.02789	0.8
203.03543	0.6
205.12209	0.5
214.02728	2.9
217.05072	3.5
223.06158	1.3
226.02652	0.5
227.07175	3.7
229.05023	1.0
230.02238	2.3
231.03003	0.9
233.06725	3.8
242.02213	5.9
243.02930	1.2
243.19658	0.6
245.04630	2.5
253.07184	0.9
256.03839	0.9
257.01154	0.5
257.02002	0.7
257.04608	6.1
258.01822	3.2
258.04272	0.6
259.02176	0.7
268.00180	0.7
270.01797	6.5
271.02209	0.9
272.03226	0.5
273.04144	10.0
274.04510	0.9
281.06863	0.6
283.02585	4.7
285.00598	2.2
285.04114	9.5
286.01318	4.0
286.04272	0.8
287.02063	3.0
293.08887	11.0
294.09238	0.8
300.02777	1.0
301.03601	13.0
302.03912	1.1
314.00845	1.5
315.01492	3.8
315.05237	2.4
315.18063	0.6
321.17154	0.6
329.03131	63.7
330.03696	12.6
331.04449	1.1
341.08826	0.7
341.27127	0.8
342.03763	0.9
343.04694	7.8
344.05457	50.6
345.06003	9.9
357.06525	0.6
358.26675	0.6
359.07819	100.0
359.28143	9.6
360.08179	11.0
367.14307	0.8
413.11011	1.5
461.23764	0.9
489.10544	1.2
506.10593	2.9
507.11432	0.7
520.32410	5.5
521.13000	3.9
521.20294	2.3
521.27368	1.1
521.33356	24.7
522.13013	1.0
522.34070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40376	0.2
57.25068	0.2
59.01261	0.9
62.57604	0.2
70.53096	0.7
71.01276	0.7
85.02866	0.4
88.44887	0.2
89.02360	0.6
93.03386	0.3
99.00771	0.5
101.02357	0.6
108.89935	0.3
113.02374	0.5
134.03665	0.9
135.04385	0.2
137.02327	0.3
140.69826	0.2
149.05992	0.3
151.00345	0.6
160.01582	0.7
161.51338	0.2
162.54837	0.2
167.82965	0.2
175.03966	0.8
176.04790	0.7
178.02676	0.2
191.07060	0.8
193.05009	1.4
201.01973	0.3
207.06691	0.3
213.01991	0.3
214.02492	0.3
229.01471	2.7
233.50954	0.2
235.06143	3.3
241.01485	0.6
242.01952	0.5
243.03069	0.5
244.03954	0.3
245.01102	0.3
255.03043	0.9
257.00964	22.4
258.01346	1.8
265.07306	1.2
269.00983	2.0
270.01709	0.4
271.02585	0.3
272.03333	5.8
273.03641	0.6
283.02603	0.5
284.03247	0.4
285.00500	13.7
286.00937	1.8
295.08386	1.2
299.02127	0.3
300.02832	19.0
301.03278	1.8
312.99966	0.4
313.03503	0.3
313.07001	0.3
315.05173	4.5
316.05423	0.3
328.02328	11.3
329.02994	5.8
330.03711	0.7
343.04660	100.0
344.05194	16.8
345.05768	1.1
355.10529	0.9
358.07059	6.2
359.07800	28.0
359.28156	0.5
360.08130	3.6
401.08932	2.2
402.09091	0.2
463.92441	0.3
506.11163	1.9
521.13129	66.3
522.13477	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	521.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	1.6
61.98718	0.3
65.00237	0.3
67.19160	0.2
69.19499	1.6
69.19933	1.2
71.01274	1.7
73.02834	0.3
80.68197	0.2
83.01278	0.2
85.02834	0.7
89.02343	0.8
97.06495	0.4
101.02357	1.1
107.01344	0.3
113.02358	0.8
116.28355	0.3
125.02351	0.3
151.00284	0.7
161.04478	0.4
201.01918	0.7
213.01929	0.5
216.50484	0.3
229.01427	4.7
230.02127	1.7
241.01479	1.4
242.02257	0.9
243.02975	0.7
245.00932	0.3
255.02991	0.9
256.03732	0.7
257.00958	25.3
258.01529	3.8
259.02283	0.4
268.90186	0.3
269.00992	3.9
270.01663	1.4
271.02457	0.7
272.03357	5.5
273.03940	1.0
285.00485	19.1
286.01135	5.3
297.00430	1.4
298.01254	0.9
299.01956	0.4
300.02823	17.0
301.03531	4.3
312.99960	1.2
314.00687	0.6
315.05118	3.6
316.05298	0.4
327.01514	0.4
328.02322	11.8
329.03088	19.4
330.03558	1.7
342.03778	2.0
343.04657	87.6
344.05069	10.6
345.06012	0.5
358.07098	1.3
359.07782	8.6
359.28119	0.7
360.08188	0.9
371.04211	0.3
373.05542	0.3
432.06763	0.4
491.01288	0.6
491.08472	8.9
492.08847	1.3
503.32272	0.3
506.10776	31.6
507.11084	4.7
521.13129	100.0
521.33301	4.7
522.13464	16.7
522.33868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1315
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.58951	0.5
57.03331	0.5
58.16022	0.6
59.01266	9.2
61.98719	32.7
63.99133	0.7
71.01273	5.6
71.52474	0.5
71.52898	0.7
72.99191	0.7
73.02836	1.2
77.01915	0.5
78.95789	1.5
83.01280	1.0
83.04906	0.9
85.02859	2.9
87.71709	0.6
89.02330	2.7
95.01315	0.5
101.02360	4.0
102.02679	0.7
106.25506	0.6
109.02824	0.8
111.00787	1.6
113.02365	2.4
117.03370	2.0
118.02898	3.5
118.03632	1.3
119.03387	1.3
121.02854	1.1
123.04452	0.6
124.01664	0.5
138.03178	0.7
139.03862	0.6
145.02908	8.3
146.02368	21.5
147.03392	1.2
154.08603	0.6
161.04523	0.9
163.00345	0.8
163.03961	1.1
163.11258	0.7
165.01866	0.9
167.03371	0.6
178.09958	0.7
209.11839	7.6
210.24638	0.6
214.02826	1.4
214.04816	0.7
217.05064	2.0
229.05072	0.9
230.02196	2.3
242.02281	3.0
245.04604	2.1
257.04605	2.6
258.01837	2.8
258.04089	0.6
259.02594	0.5
267.15945	0.7
270.01736	4.7
273.04120	7.3
285.04169	5.9
286.01297	7.0
286.04309	1.2
299.05518	0.6
301.03622	13.0
302.04016	0.9
307.19211	5.9
314.00742	2.3
325.20105	1.4
329.03110	55.6
330.03348	5.5
341.27066	2.0
343.04749	0.9
344.05435	60.5
345.05869	7.5
359.07794	100.0
359.27975	2.4
360.08121	11.9
490.06232	0.6
520.26050	2.3
520.32642	7.6
521.13403	3.5
521.26465	3.8
521.33197	17.1
522.13019	0.6
522.24902	4.9
522.32751	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	520.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96283	0.3
69.24738	1.4
78.95798	42.1
87.12489	0.1
96.96870	5.5
120.15532	0.1
127.34036	0.1
150.97957	1.5
152.99533	100.0
153.99879	1.8
171.00601	3.9
240.02724	0.3
267.50601	0.1
271.17148	0.1
279.23276	1.0
309.20737	0.2
344.22351	0.1
433.23700	24.5
434.24063	3.5
434.92282	0.1
520.26904	6.1
521.27277	1.0
521.34955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0951
Annotation	Spinatoside
Peak:m/z	Relative Intensity
52.72762	0.2
53.00191	0.2
55.01764	0.5
57.03332	1.3
58.00476	0.3
59.01263	6.1
59.15982	0.2
63.02267	0.2
64.07683	0.2
65.00223	0.5
68.99698	0.4
69.45878	1.2
69.46299	0.7
71.01270	7.6
72.99197	0.8
73.02856	0.5
75.00764	2.4
83.01285	0.7
84.02064	0.3
85.02844	8.6
87.00779	1.6
89.02360	1.1
90.58343	0.2
94.40407	0.2
95.01293	3.0
96.95926	1.0
99.00791	3.9
101.02339	0.4
103.00283	2.1
103.75848	0.2
107.01303	0.6
109.02880	0.3
111.00781	0.3
113.02363	15.8
114.02723	0.4
115.00296	0.9
117.01836	0.9
123.04440	0.8
129.01837	0.8
129.94888	0.2
135.00815	0.3
143.04953	0.2
147.04491	0.2
151.00339	2.0
153.01859	0.2
157.01421	0.3
157.02879	0.3
159.04419	0.4
163.00291	1.0
164.01018	0.2
171.04482	0.4
175.02458	4.3
175.03932	0.7
178.99811	0.4
183.06564	0.4
187.04030	1.1
189.01936	0.3
199.03983	1.4
201.01993	0.4
203.03482	3.9
204.03931	0.2
213.02048	0.5
214.02838	0.3
215.03484	3.7
216.03766	0.3
217.01407	0.6
219.03026	0.3
227.03502	0.4
229.01408	0.2
230.02281	0.4
231.03006	3.7
232.03513	0.4
241.01483	0.6
242.02293	0.6
243.03008	6.0
244.03369	0.5
258.01816	1.3
259.02530	12.5
260.02762	1.1
269.01025	0.6
270.01685	1.0
271.02539	8.9
271.05496	0.4
272.02902	0.6
273.04050	1.2
274.04874	0.9
285.04108	1.5
286.01184	1.4
286.04135	0.3
287.02042	19.6
288.02429	1.8
289.07303	0.8
297.00400	0.4
299.01968	0.3
301.03506	1.3
302.04449	1.2
315.01541	36.8
316.01938	4.3
316.05682	0.4
317.06711	0.9
329.03131	0.4
330.03876	26.8
331.04187	2.7
337.09476	0.6
344.05328	0.3
345.06226	100.0
346.06583	10.6
359.07758	0.6
374.21277	0.2
409.59308	0.2
489.92996	0.2
521.08606	2.3
522.09875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.9
59.00997	0.8
59.01266	12.9
69.03315	0.8
69.53436	4.0
69.53765	0.8
71.00893	0.9
71.01273	14.9
72.99191	1.5
73.02824	2.5
75.00748	0.9
81.03321	1.0
83.01270	1.2
85.02853	6.3
87.00761	1.7
88.98672	0.7
89.02341	9.5
93.03371	1.0
95.01282	3.6
96.95905	2.0
96.96867	0.8
97.02838	1.7
98.20519	1.0
99.00771	2.4
101.02339	6.9
103.45138	0.5
108.02081	51.0
109.02888	20.2
110.03217	0.6
113.02360	9.5
115.03896	0.6
119.01286	1.2
119.03436	2.4
119.04940	0.6
121.02888	2.4
123.00796	3.1
123.04432	2.0
124.01610	2.4
125.02346	2.0
131.03406	0.5
133.02872	0.8
134.03680	1.3
135.00797	1.5
135.04448	2.5
137.02356	1.9
138.03166	1.7
139.00323	0.9
139.03909	2.0
143.03479	0.6
145.02940	0.6
146.03638	1.5
147.00804	1.0
147.04460	0.6
148.01569	0.7
149.02385	5.2
150.03204	2.4
150.35785	0.5
151.00291	1.3
151.03912	1.5
152.01097	58.8
153.01898	16.4
153.05495	1.7
160.01607	1.6
161.02359	2.1
161.04474	1.3
161.05919	0.7
162.03192	0.7
163.00375	0.6
163.03920	2.1
163.11186	0.8
164.04732	3.6
165.01894	1.3
165.05563	1.0
166.02571	0.6
166.99857	0.5
167.03452	4.4
168.00600	4.9
168.04243	0.8
175.00362	8.3
175.02431	1.5
175.03978	2.0
176.01109	10.2
177.01883	3.0
179.03543	0.7
179.05661	1.0
179.07083	2.4
181.01491	0.5
181.12328	2.7
182.02151	0.8
183.02966	10.0
183.06577	0.8
185.02402	1.1
187.04045	0.9
189.01862	0.8
190.02695	20.3
191.03465	15.4
194.02119	0.5
195.02943	1.5
197.04539	0.7
201.01782	0.6
202.02727	1.5
203.03468	1.2
205.05067	14.5
206.05547	0.8
207.06557	0.5
207.10251	5.6
208.03813	0.5
209.04507	2.0
215.03490	1.4
217.01448	0.7
223.06114	2.1
225.04039	0.5
225.11336	13.8
226.11751	0.5
229.01445	9.5
230.02184	2.6
231.02902	1.7
241.01440	0.7
242.02226	1.0
243.03033	4.9
243.12434	0.8
244.03162	0.5
253.09320	1.0
255.05132	0.5
257.00928	11.2
258.01749	8.9
259.02478	5.7
260.02902	0.6
271.02582	3.7
272.03207	2.0
273.04089	6.6
283.09784	1.9
285.04056	1.4
287.02087	8.0
311.09335	4.9
315.01611	12.6
315.07266	14.1
316.01746	1.3
316.07629	1.1
326.11710	3.2
327.11652	0.6
330.03873	16.7
331.04199	1.5
337.09348	1.9
341.09094	1.8
341.14005	4.8
345.06171	29.1
346.06497	3.7
353.08881	3.5
359.14996	0.8
367.10324	1.1
389.21884	1.1
435.09308	1.6
461.20178	6.2
462.20496	0.6
477.14148	2.0
489.10245	0.6
491.12219	1.0
503.12268	5.4
504.12296	0.8
506.10574	0.8
521.13104	100.0
521.26282	4.5
522.13470	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	519.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.6
64.33155	0.5
71.54007	0.6
78.95768	0.5
81.03352	1.6
105.07025	0.9
107.13788	0.5
110.50887	0.5
122.03645	3.9
123.04465	4.9
125.02328	0.5
135.04475	6.7
136.05228	2.0
145.02876	2.0
149.06039	14.5
152.99515	0.9
157.52870	0.5
161.06018	2.0
163.07582	2.2
175.07584	1.0
177.09203	0.7
189.09155	1.3
191.10710	0.6
195.30879	0.4
205.12305	0.9
217.12338	0.5
219.13863	0.5
227.12956	0.5
229.12251	0.8
243.13940	0.9
244.19974	0.6
245.15544	0.6
257.15552	0.7
259.17068	0.6
299.20242	1.1
313.21881	1.2
320.05490	0.5
327.23267	1.3
383.29813	0.9
450.27954	1.8
451.28336	3.7
452.28842	0.6
458.54565	0.6
463.28491	1.1
475.28824	0.6
475.35910	1.6
476.36710	0.8
481.32791	0.6
519.34937	100.0
520.27222	1.1
520.35223	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	519.3341
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
50.15078	0.5
57.03343	0.8
59.01254	1.1
61.98710	2.2
63.19553	0.4
64.39227	0.4
69.03362	0.6
69.47309	4.4
71.01292	0.6
71.04903	0.7
78.95800	13.7
79.40529	0.4
80.48721	0.5
81.03352	0.8
83.04919	0.8
95.04928	1.1
96.96865	1.4
97.02866	0.6
97.06490	2.0
98.19797	1.0
107.04928	1.0
109.02859	0.8
109.06494	0.9
111.08091	0.7
119.04955	0.9
123.04425	0.5
123.08077	1.1
125.06049	0.5
125.09649	6.9
131.04909	0.5
135.04446	0.9
149.06020	0.8
152.99533	23.3
153.99879	0.7
163.07558	0.6
163.11205	2.2
165.12793	3.0
167.14326	1.8
171.00645	0.6
171.10223	1.6
175.07675	0.6
177.12547	0.5
181.12311	1.6
181.15802	0.5
185.11856	3.6
191.14395	0.6
192.17563	0.5
193.16000	0.6
207.10277	2.1
209.11823	2.0
211.13365	1.4
217.15953	0.6
219.10370	0.5
223.17032	1.8
225.11372	1.1
227.12875	1.0
229.14464	0.7
233.15474	2.0
235.17067	1.4
247.17096	0.5
249.15013	1.2
251.16638	1.8
261.14957	0.7
262.11920	0.9
265.14661	0.8
273.18668	0.6
275.20062	0.6
279.16071	0.8
285.22372	0.6
289.22043	0.5
291.19748	6.7
293.21362	4.1
301.02069	0.6
311.20325	0.5
313.21811	0.9
313.25214	0.6
315.19815	3.9
329.21307	1.4
331.18921	2.5
331.22806	4.6
331.26550	6.8
332.26727	0.9
333.20721	2.9
347.22305	0.6
349.23700	0.8
349.27521	1.6
375.25543	6.6
376.25748	1.5
391.25122	0.6
393.26599	9.2
394.27014	1.0
403.24969	1.9
405.26740	0.9
411.27625	8.1
412.27930	1.1
450.26019	0.9
465.30087	0.8
475.26810	0.9
483.31628	3.0
484.31766	0.7
501.32458	12.6
502.32632	2.3
519.33459	100.0
520.33844	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	519.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35706	0.4
57.03342	1.1
59.01256	1.4
61.98724	3.1
64.35314	0.5
69.39899	3.6
78.95795	15.1
79.05429	0.6
80.78918	0.6
83.04926	1.2
91.23447	0.5
95.04984	0.6
96.95936	0.8
96.96855	2.0
97.02837	0.8
97.06501	1.7
101.04011	0.5
107.04903	1.3
108.02100	0.6
109.06541	0.6
110.34582	0.5
119.04990	0.6
121.02817	0.5
123.08064	0.9
125.02354	0.6
125.09653	5.6
135.04425	0.9
141.12842	0.6
145.02834	0.6
152.99525	26.8
153.99847	1.1
163.04010	0.8
163.11223	2.2
165.12807	2.5
167.14372	1.0
171.00664	0.6
171.10223	1.5
181.12352	1.4
183.13829	0.9
185.11835	3.6
195.13878	0.7
203.14398	1.0
205.12376	0.6
207.10333	1.8
209.11800	2.2
211.13377	1.0
215.14384	0.6
223.17043	2.4
225.11346	1.5
227.12883	1.1
231.17455	1.0
233.15558	1.5
235.17073	1.2
249.15065	1.7
251.16484	1.1
261.15195	0.7
267.16220	0.7
271.13409	0.8
279.12653	0.6
291.19727	6.3
292.19843	1.0
293.21329	4.4
294.21741	0.7
309.20807	1.2
313.21893	0.7
313.25250	0.6
315.19672	4.0
316.20139	0.9
329.21338	1.0
331.19028	2.8
331.22824	3.5
331.26559	8.1
333.20816	3.2
349.27646	1.8
368.77469	0.6
375.25473	6.3
376.25919	1.1
393.26556	9.0
394.26675	1.1
403.25058	0.9
405.26752	0.8
411.27615	8.8
412.27914	1.2
421.31555	0.7
432.22375	1.1
450.26480	1.0
465.30325	0.8
483.31589	4.1
484.32071	0.6
501.32364	14.5
502.32892	2.6
519.27417	4.2
519.33441	100.0
520.26111	1.1
520.33746	20.3
548.23004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.9
57.03338	3.0
58.00475	2.5
59.01266	33.3
60.01598	0.6
61.98711	1.2
63.37753	0.3
69.03354	0.6
69.19852	3.9
71.01272	49.7
71.04906	0.6
72.01620	0.8
72.47726	0.3
72.99204	3.8
73.02839	14.6
75.00764	0.9
78.33971	0.3
78.95806	0.9
81.03344	0.6
83.01280	6.3
83.04931	0.4
85.02847	20.2
86.03169	0.5
86.66302	0.3
87.00787	3.2
87.04415	1.1
89.02340	18.9
93.07004	0.5
95.01286	4.6
96.95924	7.5
96.96863	1.4
97.02855	1.0
97.06480	0.6
99.00779	5.5
99.04426	0.4
101.02350	30.4
102.02711	0.6
108.02106	0.5
109.02859	0.8
111.00816	0.9
111.08084	0.6
113.02364	17.2
114.02701	0.4
119.03427	6.9
121.02852	0.4
123.08092	0.5
125.02357	1.1
127.11209	1.1
129.01888	0.8
131.03430	1.0
135.04459	0.4
135.11726	0.7
137.09656	0.7
139.03979	0.4
143.03441	2.0
145.02888	0.6
148.10658	0.3
149.04507	0.7
149.09653	0.5
151.07677	0.5
152.07164	0.3
153.12761	0.6
159.01784	0.3
159.02919	2.0
160.01535	0.7
161.02403	0.7
161.04503	7.9
163.06023	0.5
165.09154	0.5
167.03386	0.4
167.10765	0.5
174.24123	0.3
175.03961	1.1
177.01909	0.5
179.05632	2.9
179.07068	0.6
179.14438	0.4
180.07890	1.2
181.12343	0.4
185.11867	0.9
191.05484	0.4
193.05031	0.4
201.14980	0.9
221.15482	0.4
223.09683	1.8
223.20610	0.6
227.16460	0.8
229.12596	0.3
253.04955	0.4
253.21750	0.4
259.98819	0.4
263.20218	0.7
265.14490	0.4
267.19821	0.5
277.21863	1.0
295.22858	0.8
297.24374	3.3
298.24756	0.6
305.08310	0.4
307.22620	0.4
309.24432	3.1
320.10724	0.4
321.24384	6.0
322.24799	0.5
337.09363	0.6
339.25562	1.5
351.29291	0.4
357.26544	46.2
358.26819	5.3
459.14398	0.7
471.14459	0.7
474.17276	0.6
489.19690	2.1
489.30780	0.6
501.19406	0.7
519.19458	2.9
519.31879	100.0
520.20050	0.7
520.32196	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	519.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.1
57.03337	2.2
58.00479	0.8
59.01269	20.1
61.98719	2.6
70.78654	0.3
71.01276	26.4
71.44404	0.8
72.01609	0.9
72.99212	1.9
73.02843	8.1
75.00792	0.8
83.01275	4.4
85.02850	13.0
85.03365	0.8
85.99987	0.4
87.00777	1.8
87.04422	1.0
89.02346	7.3
95.01281	2.6
97.02856	0.9
98.94930	0.4
99.00791	3.0
101.02353	17.5
111.00814	1.7
113.02366	9.8
115.51909	0.4
117.02010	0.4
117.03381	6.8
118.44762	0.4
119.03411	2.0
119.04953	1.9
121.02918	0.6
123.00809	0.5
123.04410	0.4
124.01620	0.7
125.02389	1.2
125.87434	0.5
127.11230	0.6
129.01898	0.7
137.57692	0.4
139.03935	1.5
139.11270	0.9
145.02898	33.0
146.03273	1.3
159.02951	1.0
161.04468	2.3
163.03996	1.6
167.03465	0.7
169.12297	0.6
171.13837	1.1
201.14977	1.0
209.11935	0.7
215.16536	0.4
223.13388	1.0
267.23444	0.6
297.24420	0.9
306.34515	0.4
311.26102	1.6
313.27649	1.7
315.87085	0.4
324.37222	0.4
357.26550	10.4
358.27121	1.6
381.26740	1.0
459.29947	0.7
475.33035	1.5
518.71875	0.4
519.25995	11.2
519.32147	100.0
520.26312	1.9
520.32556	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	519.319
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
53.31234	0.3
55.01779	0.7
57.03333	0.7
58.00475	0.8
59.01267	8.1
61.98715	0.4
68.26524	0.2
70.54693	0.3
70.55042	1.0
71.01276	6.8
72.99195	0.7
73.02842	2.4
83.01295	1.4
85.02849	3.9
89.02342	2.6
94.66346	0.3
95.01293	0.7
97.02836	0.4
99.00754	0.9
101.02352	4.3
105.01861	0.4
113.02377	2.2
115.86281	0.3
118.29710	0.3
119.03442	0.6
141.12816	0.3
145.02866	0.8
185.11818	2.4
297.24271	0.5
309.24451	1.3
311.26089	0.8
321.24384	0.5
323.25946	1.3
325.23999	0.8
327.25491	10.2
328.25800	1.4
339.25470	8.1
339.28525	0.2
340.25668	0.8
341.27039	6.7
342.27472	0.6
355.25021	0.6
357.26550	22.0
358.26929	2.6
489.30698	1.5
501.30899	1.0
519.31879	100.0
520.32233	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	519.2616
Annotation	Lotusine F
Peak:m/z	Relative Intensity
51.96133	0.3
52.76680	0.2
55.01777	0.3
57.03349	0.8
58.00485	0.3
59.01268	7.4
61.98723	1.5
64.78551	0.2
69.03342	0.3
70.69980	0.7
71.01273	8.0
71.01665	0.4
72.99227	0.4
73.02840	3.0
75.00771	0.3
78.95798	0.3
83.01299	1.0
85.02841	4.2
87.00811	0.5
87.04440	0.5
89.02344	2.2
95.01300	0.8
96.95909	0.3
97.66799	0.2
99.00790	0.9
101.02345	5.1
108.02099	0.7
109.02885	1.1
111.00797	0.6
113.02362	2.5
117.03380	24.6
118.03722	1.0
119.03439	0.7
119.04949	6.4
121.02866	0.5
123.00842	0.5
123.04472	0.4
123.74324	0.3
125.02408	0.6
131.73097	0.2
132.42097	0.3
139.03963	0.4
139.11240	0.3
143.03500	0.3
145.02890	100.0
146.02213	0.4
146.03249	5.1
151.04024	0.4
159.02896	0.3
161.04488	1.3
163.03960	5.7
191.05557	0.3
203.14322	0.4
209.11618	0.3
211.17020	0.3
221.15385	0.4
223.13351	1.4
267.23340	0.4
297.24307	0.8
311.25919	0.8
313.27463	0.5
357.22211	0.5
357.26526	7.2
358.26758	1.0
381.26453	0.7
411.27277	0.3
459.22250	0.4
459.30060	1.1
460.29831	0.4
475.32913	0.4
519.25732	58.3
519.32068	10.1
520.26215	10.6
520.32422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97331	0.2
59.01279	0.2
61.98707	0.9
62.96290	0.2
66.27423	0.2
71.33149	0.3
78.95798	48.9
80.33475	0.1
96.96867	5.8
107.73080	0.2
124.83154	0.1
125.09647	0.3
145.02863	0.3
150.97974	1.5
152.99535	100.0
153.99872	1.8
171.00603	4.1
209.11797	0.2
215.08798	0.1
218.10423	0.2
265.65009	0.2
279.19846	0.2
291.19791	0.3
331.18970	0.4
331.22717	0.2
344.35724	0.1
365.27109	0.6
445.70895	0.2
483.31464	0.2
501.32236	0.7
519.27246	15.2
519.33466	1.4
520.27612	2.9
520.34448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.7
57.03336	4.1
58.00477	2.5
59.01268	38.2
60.01613	0.8
61.98714	1.9
66.00990	0.4
69.03347	0.9
69.37883	3.3
71.01273	53.9
71.04909	0.9
72.01621	1.1
72.99207	3.2
73.02842	16.2
74.03167	0.4
75.00759	0.9
78.95800	1.3
79.95642	0.3
83.01278	7.0
85.02847	23.6
87.00779	3.2
87.04411	0.8
89.02341	19.1
89.92590	0.4
90.02724	0.4
95.01297	4.0
96.95920	8.3
96.96840	2.4
97.02869	0.8
97.06502	1.4
98.20617	0.7
99.00792	4.8
101.02351	34.5
101.72905	0.3
102.02700	0.9
108.02051	0.4
109.02860	0.7
109.06526	0.4
111.00788	0.8
111.08034	0.4
113.02359	16.6
114.02682	0.8
119.03429	7.9
119.04826	0.4
121.02933	0.5
121.10184	0.9
125.02378	1.7
127.11214	0.7
129.01871	0.8
131.03453	1.1
135.04483	0.4
135.11743	0.7
137.02382	0.5
137.09624	0.5
142.16783	0.4
143.03452	2.2
149.04520	0.9
149.13303	0.5
151.03957	0.5
152.07109	0.4
153.09143	0.5
159.02951	1.5
161.02408	0.9
161.04495	6.6
162.01955	0.5
175.03958	0.4
175.57677	0.4
179.05573	3.0
180.07854	0.5
183.13878	0.6
185.11853	0.9
199.13405	0.5
201.14975	1.2
203.14473	0.6
223.09798	0.9
223.20805	0.6
227.16541	1.5
239.16611	0.4
253.21733	0.9
263.20190	0.9
265.14398	0.5
267.19830	0.6
275.20248	0.4
277.21838	0.8
291.23587	0.4
295.22760	0.6
297.24374	4.0
298.24863	0.5
309.24426	2.6
310.24750	0.5
321.24417	5.2
322.24866	0.5
327.25507	1.2
339.25504	1.0
357.26550	44.9
358.26846	6.4
459.14899	0.5
487.83737	0.4
489.19476	1.1
499.41534	0.4
519.31873	100.0
520.32196	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	519.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40031	0.5
55.01768	0.9
57.03321	1.6
59.01264	23.2
59.32446	0.6
60.68781	0.6
61.98718	5.3
62.61651	0.6
69.03345	1.4
69.86096	0.5
71.01272	11.1
71.04932	0.7
71.54031	0.8
72.38055	0.5
72.99191	0.9
73.02832	2.4
74.58147	0.5
81.03378	0.8
83.01263	1.6
85.02847	3.2
87.00763	1.2
89.02343	8.0
92.54575	0.6
96.75920	0.5
97.02815	0.7
97.06485	0.6
99.00777	1.3
101.02354	8.5
108.02058	0.7
109.02909	0.6
109.06525	0.6
110.02526	0.6
113.02345	5.2
119.03389	1.9
121.02877	0.7
123.00846	0.8
124.01608	0.7
125.02369	2.2
127.62324	0.6
131.03445	1.0
135.04451	1.2
137.05984	0.9
139.03961	0.9
143.03398	0.8
149.04509	1.9
149.09607	0.6
151.00298	1.1
152.99495	0.7
161.04512	2.5
167.03479	1.8
167.10721	3.0
171.10147	0.8
177.12813	0.9
179.10741	1.7
179.14343	3.1
180.07899	0.8
181.05020	3.4
191.05563	1.3
195.13881	11.7
196.14287	0.9
205.12318	7.2
207.63751	0.6
209.04518	2.1
209.11867	1.9
223.13402	100.0
224.13766	8.5
235.08174	1.2
253.09341	16.9
254.09489	1.0
257.09125	0.6
269.06641	0.8
279.84079	0.7
305.17679	1.0
357.26575	2.8
368.41760	0.6
418.50806	0.6
459.22562	16.5
459.28690	0.9
460.22684	3.0
489.19675	1.2
519.32037	16.5
520.23682	1.1
520.32123	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	519.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.5
57.03321	1.2
58.00475	3.1
59.01265	79.4
61.98712	0.9
66.09331	0.6
69.03335	5.1
69.49318	1.4
69.49723	5.0
71.01273	44.8
72.01618	0.9
72.99201	4.6
73.02834	17.7
75.00756	1.4
79.02867	0.6
81.03340	3.2
83.01294	3.1
85.02847	17.0
86.02334	0.7
86.03224	0.7
87.00761	3.0
89.02342	24.7
89.02908	1.2
91.01793	10.9
93.03360	12.6
94.84029	0.7
95.01288	1.8
96.95909	2.6
97.02861	7.0
99.00772	2.6
99.04422	0.8
101.02351	35.6
102.02682	1.2
103.03912	29.4
107.04920	2.3
108.02077	1.7
111.31863	0.7
113.02367	2.2
113.74219	0.7
115.03909	1.5
115.07559	1.0
116.92768	1.1
119.01315	4.5
119.03416	12.6
121.02870	13.7
122.03174	0.9
123.04429	0.9
125.02367	32.3
126.02704	1.2
127.03949	4.0
128.03470	1.4
131.03407	1.1
136.01530	0.9
137.02383	10.9
143.03447	3.5
143.04509	1.2
145.05016	6.1
149.02298	1.1
151.03951	100.0
152.04295	4.9
163.06079	30.5
164.06342	0.8
191.05614	1.0
194.77184	0.7
205.07198	2.6
210.71213	0.8
229.07266	1.0
242.06097	0.9
247.08278	8.4
289.09259	1.4
301.07211	1.1
306.07770	2.1
307.10443	29.5
308.10709	2.4
357.09979	2.7
427.12466	5.6
462.99796	0.7
519.11334	0.9
519.24750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25052	0.3
57.03334	0.7
59.01262	10.2
61.98718	18.4
67.01737	0.3
68.02408	1.5
71.01270	7.1
71.48061	0.7
72.93368	0.4
72.99187	0.6
73.02840	3.4
78.95777	1.2
79.95650	0.4
81.03352	0.4
83.01262	1.0
83.04944	0.4
85.02837	4.0
87.00771	0.8
89.02336	3.0
93.03315	0.5
95.01273	0.9
96.68282	0.4
96.95918	12.4
96.96843	2.7
99.00768	0.7
101.02345	4.5
103.03950	0.8
108.02085	3.2
109.02854	1.2
111.00801	0.5
111.04441	0.7
113.02351	4.7
117.03388	0.6
119.03416	0.9
119.04951	1.0
121.02843	0.7
122.03651	7.9
123.04472	2.5
124.01588	0.6
125.02366	0.6
131.07042	0.9
132.02100	6.9
133.02856	1.3
134.03671	13.7
135.04384	1.4
136.01645	0.4
136.04239	0.6
136.05238	6.3
137.02374	2.9
137.06064	1.7
143.03391	0.5
145.02890	0.7
148.05186	0.5
149.02388	0.6
149.04895	0.5
149.06021	2.3
150.06841	2.2
151.07561	1.3
152.01091	2.4
153.01814	0.4
153.05513	0.9
154.02670	1.2
160.01614	37.5
161.02283	3.0
161.04449	2.0
161.74727	0.3
162.06808	3.7
163.03984	0.6
163.07597	2.2
165.05544	1.0
166.02725	0.4
166.06244	0.5
167.03447	4.5
167.07019	0.5
167.43420	0.4
168.04024	0.4
170.00130	0.3
175.03969	55.1
176.04340	3.1
177.01906	0.5
178.02618	0.9
179.03418	0.8
179.05643	0.7
179.07126	0.6
180.07872	6.8
181.08672	100.0
182.09012	6.0
189.05550	0.4
191.07196	0.5
193.05037	13.8
194.05417	0.9
195.06607	0.6
199.85194	0.3
205.05051	0.6
217.05069	1.0
223.09608	0.6
235.06100	1.2
265.07352	1.8
266.07251	0.3
271.02588	1.2
295.08188	0.4
299.02072	1.4
315.05280	0.4
322.06943	0.7
323.07938	0.7
325.09402	1.1
337.09381	69.2
338.09689	6.9
343.13995	0.8
357.26538	1.7
380.62930	0.4
504.09277	0.4
511.66013	0.4
519.19012	21.8
519.31671	8.3
520.19299	3.5
520.32532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.3
57.62623	0.2
59.01270	1.4
67.01772	0.3
68.40485	0.1
69.03337	0.2
69.77198	1.0
69.85072	0.1
71.01276	1.3
73.02839	0.4
76.01804	0.5
80.45326	0.2
81.03344	0.4
83.04920	0.6
85.02847	9.5
86.03178	0.2
87.00777	2.6
89.02290	0.2
93.03369	3.2
95.01289	0.1
98.20497	0.1
99.04404	0.4
101.02359	0.2
109.02881	0.8
111.04444	1.2
113.02351	0.3
118.02919	2.9
119.03283	0.2
127.03941	1.9
129.01857	0.4
135.61774	0.1
137.02405	0.2
146.02425	11.9
147.02821	0.9
148.68639	0.1
153.01756	0.2
154.62732	0.2
155.03392	0.1
171.02986	0.6
173.04518	1.1
191.05602	100.0
192.05946	4.0
206.35281	0.1
234.82425	0.2
241.81859	0.1
437.36670	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	518.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65694	0.1
61.98710	0.6
62.96286	0.3
71.58443	0.3
76.26522	0.1
78.95795	44.6
82.76948	0.1
96.96864	5.6
143.07011	0.2
150.97951	1.7
152.99527	100.0
153.99855	1.8
171.00584	3.5
183.42958	0.2
255.88928	0.2
262.11917	0.6
270.53763	0.2
277.21838	0.7
298.53854	0.2
331.19016	0.8
431.22101	22.5
432.22418	3.2
518.25366	5.4
519.26703	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	519.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.6
59.01268	3.4
61.98716	3.0
68.30162	0.4
71.01264	4.4
71.51994	0.7
73.02829	1.4
75.00774	0.4
78.95793	1.0
83.01285	0.6
85.02846	1.9
87.00806	0.6
88.31514	0.4
89.02335	1.5
93.03376	0.8
95.01268	0.5
95.04928	22.8
96.05251	0.5
96.95925	2.9
96.96873	0.9
99.00783	0.8
99.05563	0.4
101.02326	2.8
103.10827	0.4
108.02084	1.3
108.89096	0.4
109.02864	2.9
109.06544	0.5
113.02336	2.3
117.03421	0.8
119.04952	2.9
119.95077	0.4
121.02859	1.3
122.03622	1.1
123.00852	0.6
125.02396	1.4
128.03476	0.7
132.02092	10.1
133.02899	4.4
134.03667	9.3
135.04466	2.9
136.01541	0.4
137.02414	1.2
137.06015	98.3
138.06342	3.7
139.03954	1.1
143.04572	1.0
145.02866	1.2
149.06041	2.5
151.03973	1.9
152.01147	0.4
153.01927	0.6
160.01611	58.6
161.02399	10.2
161.04573	1.4
161.05951	0.7
163.03958	2.4
165.01810	0.4
166.05037	0.6
167.03387	2.1
175.03963	100.0
176.04321	5.1
177.01909	0.6
177.05576	0.8
178.02644	0.7
179.03403	1.2
180.07834	1.0
181.05028	26.4
182.05399	1.3
189.02011	0.6
191.05518	0.7
193.05049	10.0
194.05461	0.6
195.06679	0.7
195.10191	1.0
205.05023	0.7
215.03488	0.5
216.54410	0.4
217.01408	1.5
217.05142	0.6
221.04523	0.6
225.05600	0.4
235.06050	0.7
242.02303	0.5
243.03056	1.0
254.07819	0.5
269.00916	0.5
272.09024	0.6
274.01215	0.6
305.06842	0.4
306.07736	1.4
307.08054	1.1
309.04065	0.7
323.07907	2.7
325.09262	0.8
337.09354	26.8
338.09641	2.5
343.10403	38.3
344.10733	3.2
357.06219	1.3
357.13593	1.3
373.22299	2.0
379.04865	1.2
409.05853	1.5
427.49210	0.4
431.17505	0.5
452.53976	0.4
471.59860	0.4
519.15320	34.8
519.28076	1.4
520.15851	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	517.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.2
57.03343	1.3
58.00471	0.6
59.01268	11.1
60.01630	0.3
61.01670	0.3
61.98717	4.2
69.37965	1.8
69.59467	0.2
71.01272	9.1
71.04903	0.8
72.01590	0.2
72.99198	0.9
73.02835	2.5
78.95802	0.2
82.45916	0.2
83.01286	1.4
85.02843	4.0
87.00785	0.6
87.04408	0.2
89.02338	2.4
91.76192	0.2
92.83433	0.2
95.01283	0.8
97.06491	0.4
99.00786	1.0
101.02351	5.6
101.05941	0.3
111.00781	0.8
113.02374	3.0
119.03416	0.7
120.42300	0.2
123.08056	0.3
130.54196	0.2
139.11218	2.3
145.02902	0.9
155.14360	0.3
185.11867	0.2
193.84023	0.3
199.13310	0.5
209.11877	0.2
225.15004	0.6
256.00504	0.2
260.07394	0.2
261.51932	0.2
265.18155	1.8
283.58661	0.2
295.22900	0.4
307.22827	0.4
308.23575	0.2
309.24411	0.9
319.22852	0.9
321.24387	1.3
325.23911	11.1
326.24261	1.6
327.21710	0.5
337.23969	5.3
338.24033	0.6
339.25491	6.4
340.25885	1.0
355.24988	22.7
356.25375	3.1
359.33789	0.2
383.12488	0.3
401.09003	0.2
457.04214	0.3
468.07401	0.2
487.29443	0.9
488.29736	0.2
497.77655	0.2
499.29697	1.2
509.00143	0.2
517.30322	100.0
518.30658	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	516.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41353	0.3
50.98575	0.3
59.01267	100.0
60.01607	1.2
61.98719	0.8
62.87329	0.3
69.38404	2.9
71.01272	18.9
72.01604	0.6
85.02853	1.7
89.02339	17.5
96.95914	1.8
101.02347	1.7
113.02370	1.5
119.03432	1.1
120.13801	0.4
125.02416	0.6
126.28693	0.3
130.06601	0.7
134.03740	0.4
135.04443	2.2
137.06001	0.6
144.08195	0.4
146.09723	3.3
176.01187	0.5
179.03456	1.9
188.07179	0.5
190.08731	0.8
208.09857	0.9
212.07414	0.4
229.07545	0.8
240.48077	0.4
244.09837	0.5
247.08508	0.9
262.10889	1.0
280.11972	11.0
281.12485	1.4
324.11246	0.6
334.13254	0.5
352.13989	0.4
355.11887	0.4
392.13507	2.5
405.02606	0.3
409.14078	1.1
411.10709	0.5
424.16245	20.1
425.16611	3.2
517.14136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.9
55.88312	0.3
57.03331	1.6
58.00468	0.7
59.01266	13.2
60.01589	0.7
61.98716	9.1
66.17999	0.3
69.43540	1.8
69.43959	0.7
71.01272	10.6
71.04895	0.8
72.99219	0.4
73.02833	2.2
83.01289	1.6
85.02846	4.4
87.00771	0.8
87.04409	0.5
89.02340	2.8
90.18441	0.3
95.01284	0.9
97.06504	0.6
99.00784	0.8
101.02345	5.9
111.00761	0.7
113.02365	3.2
117.03422	0.6
119.03416	1.0
121.02827	0.3
125.02372	0.5
129.29195	0.3
139.11234	2.5
141.09093	0.4
145.02869	1.1
149.24870	0.3
173.30438	0.4
192.03352	0.3
199.13458	0.8
200.13745	0.3
225.14917	0.9
241.07666	0.4
265.18149	2.0
295.22867	0.9
307.22849	1.1
309.24362	0.9
319.22852	1.0
321.24338	1.3
325.23938	11.5
326.24292	1.4
337.23917	5.6
338.24319	0.5
339.25439	6.5
340.25797	1.0
355.24973	23.4
356.25406	2.9
383.12738	0.4
415.98218	0.3
487.29565	1.0
499.29520	0.8
517.30304	100.0
518.30670	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	516.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	51.3
60.01596	2.3
61.98720	6.4
65.29350	0.6
68.02427	5.9
69.39957	3.4
69.40388	2.1
71.01275	14.5
72.99187	0.6
73.02839	2.6
78.95792	1.3
83.01285	1.2
85.02869	4.2
87.00770	0.8
89.02341	10.0
94.89473	0.5
95.01263	0.9
99.00784	0.8
101.02347	7.8
109.02908	0.6
110.81218	0.5
113.02364	5.8
119.03421	4.0
121.02842	0.6
123.35253	0.6
126.99496	100.0
127.99789	2.7
143.03438	1.8
159.03004	0.9
161.04523	7.9
166.09819	17.6
179.05580	2.4
325.23853	0.6
337.24277	1.0
355.24792	0.8
382.12363	1.0
456.15509	0.9
516.28955	0.8
517.30322	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	516.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82467	0.4
58.00476	0.8
59.01267	40.4
60.01597	0.6
61.98728	0.8
62.12183	0.3
68.02435	1.6
71.01272	18.5
71.62874	0.5
72.30981	0.4
72.99207	1.3
73.02847	1.5
75.00732	0.4
77.01601	0.3
83.01272	0.6
85.02847	4.5
87.00768	1.1
89.02342	19.0
95.01295	1.4
99.00750	0.7
101.02348	9.0
111.00776	0.5
113.02361	6.6
114.02763	0.5
117.03408	0.5
119.03426	7.6
119.04941	0.4
126.99492	100.0
127.99839	4.1
129.09044	0.4
131.03427	1.0
143.03442	1.9
145.02898	1.1
148.03984	0.4
149.04482	0.6
156.40074	0.4
161.04524	3.6
163.04012	0.5
166.09813	19.2
167.10173	0.8
179.05582	6.6
185.11726	0.4
191.05579	0.6
197.11804	0.5
205.05113	0.4
209.11919	0.4
210.04991	0.4
265.07159	0.7
266.07501	0.6
269.04639	0.5
309.20981	0.4
327.21835	1.9
340.52194	0.4
355.25003	0.8
377.91452	0.4
456.15585	0.6
515.28906	0.4
516.28839	0.5
517.30359	5.6
528.08698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49192	0.6
59.01272	6.0
60.29287	0.5
60.47372	0.5
61.98721	6.3
69.81537	3.8
71.01268	3.4
71.04932	0.6
72.27174	0.6
73.02837	1.3
75.00755	1.4
83.01289	0.8
83.04885	0.8
85.02843	2.0
89.02324	2.1
93.03373	2.5
96.95918	2.3
98.20612	0.6
99.00762	0.7
101.02347	2.0
109.02866	1.3
111.00786	3.5
111.04357	1.0
113.02342	0.8
117.03383	0.6
119.01217	0.7
121.02877	43.3
122.03235	1.5
125.02354	0.9
128.69341	0.6
133.02875	3.9
134.03679	0.9
135.04454	5.4
137.02379	1.3
141.09158	2.0
145.02890	2.2
147.03241	0.7
148.03987	100.0
149.02460	4.1
149.04335	5.0
151.03970	1.1
153.02023	0.6
153.05545	0.8
160.01643	1.1
161.02373	11.7
163.03970	0.8
164.04739	4.1
175.00354	5.8
175.03970	1.9
179.03435	4.8
179.07121	1.9
190.02689	17.5
191.03244	1.3
193.05057	2.0
205.05057	21.8
206.05588	1.9
209.08298	1.3
223.06136	7.5
265.07272	1.9
307.08539	0.8
310.09506	2.2
337.09326	1.5
340.18964	1.5
352.08182	0.8
355.21307	1.4
367.10419	47.3
368.10748	4.4
439.26590	0.7
516.15460	2.8
517.14160	2.0
517.30933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2871
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01778	2.5
57.03340	2.4
57.46854	0.2
58.00483	1.1
58.14672	0.2
59.01266	18.1
59.93367	0.2
60.01608	0.3
61.98719	0.5
68.05187	0.3
68.24910	0.2
68.99693	0.3
69.03349	1.0
71.01273	48.3
71.59241	0.3
72.01624	0.7
72.99197	2.1
73.02840	19.2
74.03186	0.4
75.00776	1.3
80.35137	0.2
81.03358	0.6
83.01275	6.2
84.02095	0.3
85.02848	22.8
85.99995	0.3
86.03195	0.5
87.00768	2.4
89.02344	12.1
95.01290	3.9
97.02859	2.2
99.00788	9.0
99.04440	0.3
101.02354	31.0
102.02692	0.7
108.84882	0.2
111.00793	0.8
113.02361	19.5
114.02705	0.7
115.03935	1.2
115.07564	0.5
117.01887	0.2
119.03427	2.2
125.02371	3.2
127.03903	0.3
129.01862	1.0
131.03413	2.7
139.00360	0.3
143.03462	2.0
149.04518	2.1
151.41911	0.2
159.02954	3.6
161.04507	18.7
162.04886	0.5
173.95532	0.2
187.19385	0.2
191.05608	0.6
205.03525	2.3
233.06573	1.1
233.44460	0.2
258.11194	0.3
291.19547	0.3
293.08887	0.9
296.31787	0.2
309.20807	0.4
309.24478	0.8
319.56378	0.2
327.21786	0.4
349.51660	0.2
353.23325	0.7
383.24503	20.7
384.24893	2.2
427.23639	0.4
515.28741	100.0
516.29083	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	515.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44560	0.5
57.03324	1.3
59.01263	1.6
64.24036	0.6
69.03345	1.8
71.04887	0.8
71.58106	0.9
93.03403	0.6
97.06522	0.7
109.06481	1.0
111.08075	1.7
124.52635	0.5
125.09619	0.8
127.11246	0.6
141.79211	0.5
151.11205	0.8
153.09169	1.0
153.12788	2.7
165.12820	1.1
167.10770	1.7
177.12854	1.3
179.10728	1.5
179.14357	2.1
181.12289	1.9
195.13875	3.4
197.11772	1.2
199.13423	0.9
205.12306	3.2
207.13893	1.7
215.12851	1.3
223.13399	31.0
224.13795	2.8
247.20731	3.8
263.20355	0.8
273.18521	2.0
279.23532	3.5
281.21411	0.7
291.19745	34.1
292.20114	2.7
309.20792	100.0
310.21140	11.5
405.26349	0.7
471.30823	1.1
479.31207	0.9
497.32910	8.3
498.33456	2.3
515.34619	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	516.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83171	1.9
52.86559	1.9
59.01270	19.0
61.98717	21.0
62.50383	1.9
62.75285	1.7
63.90689	1.9
65.64735	2.0
71.01282	10.8
71.60136	2.7
72.99207	4.1
75.00757	4.6
83.01265	2.3
85.02842	4.2
87.00790	2.8
89.02330	7.1
93.03361	3.3
96.95904	8.2
99.04356	2.1
101.02342	8.2
109.02859	8.1
110.13416	2.1
111.00812	3.1
113.02328	8.7
113.03055	2.4
119.04982	2.3
121.02866	5.9
123.00779	8.7
125.02354	9.4
133.02872	4.6
134.03627	5.5
135.04431	14.0
137.02382	7.5
138.03139	3.1
139.03960	3.6
141.09138	6.7
145.02885	2.5
147.04401	2.3
148.03949	3.8
149.02390	25.2
149.06049	2.1
159.20609	1.9
160.01601	5.7
161.02396	14.5
161.04483	6.8
162.01926	2.7
163.03995	11.8
164.01033	4.1
164.04762	22.9
165.01886	2.4
165.05437	6.9
167.03433	2.7
173.02361	2.4
173.11789	6.7
175.00285	5.0
175.03940	5.6
177.01872	3.6
177.05547	7.8
178.02592	2.7
179.03487	18.1
179.07040	10.1
190.02681	22.9
191.03400	14.1
191.05496	3.9
193.01379	3.9
193.05066	4.6
195.54254	2.1
203.07101	4.6
204.04181	2.3
205.05028	28.5
206.05788	24.7
207.02965	9.6
207.06253	3.6
208.03828	11.8
209.08154	2.3
221.04570	4.9
221.08223	24.5
222.05391	3.7
223.06119	57.5
224.06429	3.1
226.63226	2.8
228.28323	2.0
235.02484	3.6
237.07770	13.9
243.96916	2.3
247.06110	4.9
250.04881	8.4
251.05632	3.1
265.07236	100.0
266.07587	6.1
272.02985	2.7
281.06699	3.8
295.08267	37.8
296.08646	3.4
299.10770	2.4
300.02676	2.4
301.03128	5.1
305.06763	11.5
315.05252	2.8
316.05417	3.9
317.06839	4.7
323.07697	7.1
325.09366	55.5
326.09702	4.3
337.09180	4.3
340.11914	2.0
341.08896	6.1
353.14450	2.3
385.11362	10.3
411.10684	2.8
423.59784	2.2
455.57648	2.6
478.10785	5.8
516.19177	7.0
517.14142	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	515.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45046	0.3
52.32891	0.3
54.70073	0.3
57.03335	0.6
59.01267	100.0
60.01601	1.5
61.98724	1.0
67.38585	0.3
67.70954	0.3
69.03345	2.2
69.45301	0.7
69.45723	2.2
71.01269	4.3
71.04915	3.1
73.02836	0.3
75.00732	0.3
78.95786	0.5
82.82347	0.3
83.01285	0.5
84.96503	0.3
85.02850	0.8
87.00788	0.7
89.02342	1.7
89.05995	0.5
101.02367	1.1
104.50098	0.3
109.06530	0.4
111.00793	3.5
113.02355	0.7
117.03400	0.5
119.03459	0.8
121.02871	5.0
125.02341	0.4
126.99548	0.5
133.06563	0.4
134.03697	0.8
135.02950	0.3
143.03424	0.4
145.02931	1.7
149.09802	0.6
161.06061	0.5
173.00868	0.5
177.09210	0.6
179.05629	0.5
185.11641	0.4
191.05670	0.9
205.05086	0.4
212.92915	0.3
221.08202	14.5
222.08641	1.0
233.10472	0.7
237.07777	1.3
265.07300	1.4
291.08908	1.5
330.26566	0.3
381.12000	7.8
381.16544	0.5
382.12405	0.6
515.28973	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	514.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27185	0.1
57.53881	0.1
59.01253	0.7
60.01600	0.1
61.01675	0.1
61.98718	100.0
62.98400	0.2
67.84574	0.1
70.93856	0.4
83.04909	0.1
130.80673	0.1
165.43329	0.1
206.05118	0.1
395.71902	0.1
404.50809	0.1
413.84766	0.1
452.33536	0.2
453.33646	0.5
454.33826	1.1
514.32507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.5
59.01266	100.0
60.01616	1.5
61.98717	1.1
70.68565	0.6
70.68948	0.6
71.01270	7.8
71.04933	0.7
73.02857	0.5
78.95780	0.3
83.01288	0.9
85.02866	0.9
87.04419	0.5
89.02361	0.8
89.05998	0.9
95.01301	0.3
96.57238	0.3
96.95926	0.6
101.02372	1.0
101.20559	0.3
104.81399	0.3
106.07082	0.3
111.00799	0.6
113.02381	1.2
121.02865	1.6
125.02412	0.3
126.99480	1.5
134.03693	1.1
138.40199	0.3
165.01854	0.5
166.09892	0.5
172.04401	0.3
177.05611	0.3
209.11977	0.3
216.37903	0.3
220.07582	0.4
221.08160	2.4
233.10374	0.6
237.07762	1.2
271.51266	0.3
278.70480	0.3
291.08890	0.7
344.32080	0.3
353.23151	0.6
373.20645	0.3
380.23535	0.3
381.11981	10.1
382.12399	1.2
515.28705	3.6
516.29346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	31.7
61.98718	7.1
67.42879	0.7
71.01270	7.1
71.54370	0.9
72.99196	1.8
85.02835	1.8
87.00772	1.2
89.02343	9.9
93.15034	0.7
95.01273	1.0
96.95915	1.7
99.00830	0.7
101.02340	3.9
107.01302	1.3
109.02879	2.3
113.02366	4.1
113.53857	0.6
116.92798	1.2
117.02015	0.7
118.02934	1.8
119.03426	4.2
121.02860	0.8
123.00790	1.5
123.04478	0.9
125.02382	5.7
135.00818	8.2
135.04446	0.6
138.03159	0.8
138.04575	0.6
139.03958	0.8
143.03456	1.9
146.02432	4.2
147.03203	24.3
148.01622	0.7
148.03543	1.0
149.02382	1.1
149.04460	0.6
153.01862	5.1
161.01137	5.6
161.02434	1.9
161.04521	2.4
162.01921	100.0
163.02257	4.6
163.03961	0.7
171.63762	0.6
176.01111	1.8
176.03494	1.7
177.01866	2.0
179.03365	0.9
179.03983	0.8
179.05589	11.9
187.07585	1.1
191.03458	1.4
204.03014	1.0
210.05388	0.7
215.07179	3.4
237.04054	2.3
242.08185	4.0
253.07266	0.8
255.03008	1.8
256.03278	1.1
264.05197	3.9
271.02444	3.5
272.02933	1.7
296.56393	0.6
297.06201	10.2
299.02084	1.8
300.02835	12.3
301.03098	6.5
302.03278	0.8
315.05222	7.3
315.88934	0.7
316.02109	0.8
316.05545	5.4
316.09076	0.8
323.07822	1.6
324.07297	19.3
325.07986	4.5
351.14706	0.7
352.14725	2.0
422.14780	3.5
477.10422	7.8
478.10864	8.9
479.10858	1.0
514.20642	0.9
515.11530	1.2
515.18262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85880	0.8
57.03297	1.3
58.00471	2.6
59.01266	100.0
60.01598	1.2
61.98721	5.6
66.88350	0.8
69.20975	0.8
70.47239	2.8
70.47639	1.7
71.01269	35.7
71.01665	1.8
72.99203	2.3
73.02835	1.2
83.01300	0.9
85.02847	3.9
87.00754	4.7
89.02339	51.9
95.01288	2.1
101.02348	19.4
108.02085	0.9
113.02362	16.1
117.74068	1.0
119.03419	19.7
119.04251	1.6
123.00800	2.6
125.02354	1.6
131.03418	2.5
134.03671	1.1
136.01588	1.1
138.03165	1.3
143.03448	5.7
146.02441	2.6
147.03209	2.1
149.04485	2.0
158.03737	1.4
160.01607	3.0
161.02095	1.0
161.04527	8.1
167.03410	1.3
175.04012	3.1
177.01865	2.2
179.05577	42.7
180.05859	1.3
185.04828	3.6
213.07986	1.7
214.08734	1.6
215.07213	2.0
224.07181	6.0
242.08263	13.8
243.08452	1.2
477.13977	2.1
478.14307	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	514.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12238	0.7
55.37799	0.7
59.01267	28.6
61.98720	5.6
71.01275	7.0
72.99194	1.6
73.02822	0.8
81.03339	0.7
85.02864	1.2
87.00774	1.3
89.02340	9.9
96.95906	2.1
99.03745	0.8
101.02352	4.3
109.02890	2.0
110.58674	0.6
113.02351	4.6
116.92809	0.8
118.02908	1.7
119.03454	3.5
123.00814	1.4
124.01629	0.7
125.02370	5.9
125.10011	0.7
135.00821	7.2
143.03438	1.2
146.02441	4.1
147.03207	21.8
148.01718	1.1
148.03467	1.5
149.02309	0.9
149.04491	1.1
153.01894	5.0
153.05429	0.8
161.01143	5.7
161.02362	1.5
161.04530	2.6
162.01924	100.0
163.02306	5.0
167.03419	1.2
168.18993	0.7
175.02718	0.7
176.01151	1.0
176.03407	1.2
179.03481	1.1
179.03943	1.1
179.05571	8.7
187.07614	1.3
215.07094	4.7
215.28874	0.6
225.07646	1.6
226.26505	0.7
237.04086	1.9
242.08249	4.8
243.03059	1.1
253.07304	1.1
255.03050	1.6
256.03412	1.0
264.05185	2.7
271.02441	4.4
272.02881	2.0
297.06229	9.0
298.06601	0.8
299.02133	1.9
300.02798	14.2
301.03146	7.4
302.03607	1.0
315.05133	9.3
316.05588	4.8
323.07761	1.8
324.07327	19.2
325.07941	3.3
351.14563	0.9
352.14899	2.4
422.14771	2.8
431.99567	0.7
477.10565	7.8
478.10886	10.1
479.10825	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64974	0.0
55.01780	0.3
57.03340	0.1
58.00505	0.2
59.01267	5.8
60.01589	0.1
69.03371	0.1
70.24039	0.1
70.24440	0.1
71.01273	4.4
71.77900	0.1
72.99207	0.3
73.02843	0.9
78.95789	0.4
81.03384	0.1
83.01280	0.5
83.04928	0.2
85.02847	1.1
87.00775	0.6
89.02341	3.1
90.02661	0.1
91.03944	0.2
92.76431	0.0
95.00803	0.1
95.01302	0.4
96.96873	0.1
97.02875	0.2
97.06474	0.1
99.00800	0.3
99.01353	0.0
99.04424	0.1
101.02349	4.4
102.02689	0.1
103.03954	0.2
111.04413	0.1
113.02366	2.1
113.03175	0.1
113.06058	0.1
114.02697	0.1
114.33878	0.1
115.03963	0.1
115.07534	0.1
119.03426	0.8
125.02358	0.2
127.07618	0.2
131.03447	0.2
133.04985	0.3
143.03423	0.4
149.04552	0.1
152.99530	0.9
157.05037	0.1
161.04521	1.5
179.05595	0.5
197.11807	0.1
205.19698	0.1
233.22734	0.4
235.08257	1.2
236.08507	0.1
253.09332	15.1
254.09737	0.7
259.20685	0.4
275.20215	0.3
277.21783	100.0
278.22122	10.8
431.22070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69801	0.1
52.06878	0.1
55.01773	0.3
57.03329	0.1
58.00502	0.2
59.01266	5.6
61.98722	0.1
68.99714	0.1
69.03365	0.1
70.21269	0.1
71.01273	4.5
71.54606	0.1
72.01663	0.1
72.99196	0.3
73.02840	0.9
78.95792	1.3
81.03360	0.1
83.01280	0.5
83.04934	0.2
85.02849	1.1
87.00767	0.6
89.02343	3.1
90.02709	0.1
91.03931	0.2
95.01278	0.4
96.96869	0.1
97.02866	0.2
97.06546	0.1
99.00784	0.3
101.02351	4.0
102.02752	0.1
103.03933	0.2
111.00863	0.1
112.01626	0.1
113.02367	1.9
114.02739	0.1
115.03899	0.1
119.03432	0.9
125.02374	0.2
127.07579	0.2
131.03456	0.2
133.04991	0.3
143.03453	0.5
147.49864	0.1
149.04517	0.1
152.99533	2.6
157.05051	0.2
159.20259	0.1
161.04509	1.7
163.45204	0.1
171.00616	0.1
179.05568	0.5
233.22804	0.3
235.08243	1.4
253.09335	17.0
254.09663	0.8
259.20779	0.4
275.20227	0.3
276.20508	0.1
277.21783	100.0
278.22125	11.2
283.76477	0.1
302.19876	0.1
431.22089	0.7
432.22327	0.1
513.28833	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09415	0.2
51.48199	0.3
57.03338	7.1
58.03671	0.3
59.01267	0.6
59.91864	0.2
61.17540	0.3
61.98713	2.4
71.01279	0.7
71.46164	0.6
72.99207	0.8
73.02843	3.1
75.00781	0.3
81.03348	0.4
81.06977	0.8
83.01266	0.3
83.04942	0.3
84.96386	0.3
85.02872	0.3
85.06490	1.1
87.00796	0.9
88.98651	0.3
89.02375	0.3
93.03366	0.7
94.87428	0.3
96.95901	1.8
97.06513	1.5
99.08060	23.8
100.08418	0.9
101.02355	0.7
101.05997	2.1
108.02075	0.4
109.02866	0.5
109.21392	0.3
111.00742	0.4
113.06001	6.7
115.07566	75.9
116.07911	2.5
119.04945	82.7
120.05280	3.9
121.02877	0.5
123.00778	1.4
123.04436	0.4
124.01591	0.8
125.02386	0.7
125.06026	0.6
129.05521	1.0
137.02448	0.4
139.03871	0.4
140.32097	0.3
143.07079	21.9
144.07426	1.2
145.02876	1.3
149.02344	0.4
150.03165	1.3
153.05490	0.8
159.04594	0.3
159.06583	6.5
163.03960	100.0
164.04288	5.4
165.05473	1.1
167.03365	0.6
169.04979	1.4
177.01807	0.3
187.06165	0.4
189.01884	0.4
191.03557	0.4
195.06570	0.7
197.32004	0.3
229.91711	0.3
236.53293	0.3
253.49413	0.3
271.47589	0.3
272.06882	0.5
287.09344	3.6
288.09628	0.5
307.17789	0.3
325.09351	24.0
326.09698	3.3
453.23331	1.1
460.20630	0.3
475.28198	0.3
513.16187	6.8
514.16235	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	2.0
69.74046	4.0
69.74454	2.2
71.01282	2.0
73.02836	5.5
81.06992	1.0
85.06490	1.8
87.00743	0.8
92.89946	0.9
97.06480	1.2
98.19789	1.5
99.08075	8.3
100.84119	0.9
101.05991	2.9
103.63734	0.8
113.06001	9.6
115.07573	100.0
116.07905	3.7
125.02403	1.0
125.06065	0.9
125.09673	1.2
127.07569	1.5
143.07089	7.3
153.09154	3.2
159.06613	6.8
171.10194	3.1
184.56706	0.9
185.11765	2.6
197.11807	2.0
209.11836	17.7
289.18179	2.4
293.08640	1.2
307.19229	36.5
308.19568	3.3
325.20273	45.3
326.20615	6.0
513.27710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56093	0.3
53.47380	0.3
59.01267	0.4
69.53303	1.9
71.01259	0.6
88.98723	0.5
91.01781	0.3
93.03342	0.4
96.95918	0.6
108.02075	0.7
109.02867	0.4
112.04167	0.3
116.37001	0.3
121.02876	100.0
122.03210	4.5
137.02376	0.6
139.03879	0.3
153.01845	0.4
165.01906	0.4
169.83527	0.3
212.20638	0.3
436.69232	0.3
511.14005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.4
61.98716	2.5
62.06572	0.8
64.33463	0.7
70.41206	3.2
71.01270	9.1
72.99221	1.7
73.02824	2.3
75.00752	1.5
78.95768	0.8
82.59337	0.8
83.01276	1.1
85.02854	4.1
85.58953	0.8
87.00770	2.4
88.98692	2.8
89.02338	8.1
91.00241	1.0
95.01282	1.7
96.95921	3.4
96.96876	1.2
97.02885	0.8
99.00793	1.2
101.02346	7.5
105.06471	0.7
109.02854	1.1
113.02343	5.2
115.14345	0.9
119.03397	2.8
121.02872	100.0
122.03222	4.3
125.02361	1.2
129.01816	0.7
131.03433	0.8
133.93173	0.8
135.04469	0.9
137.02356	2.4
138.37553	0.8
143.10922	0.8
153.01820	1.1
161.04486	2.7
166.04997	1.1
179.03424	1.0
179.04173	0.9
179.05557	6.1
202.22510	0.8
206.25728	0.8
221.06577	1.0
264.26648	0.8
267.67831	0.8
276.44559	0.8
349.18900	7.4
384.71326	0.8
511.15189	1.9
511.23758	11.3
512.24487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78097	1.1
59.01266	20.3
61.98719	100.0
71.01272	42.8
71.04900	1.6
71.54354	2.6
72.01585	1.1
72.99196	1.9
73.02831	4.7
78.95812	1.5
80.56669	1.1
81.03332	2.9
83.01275	2.1
83.04898	3.6
85.02846	5.5
87.00790	2.8
88.98703	3.9
89.02345	7.6
93.03362	9.3
95.01290	1.6
95.04929	1.3
96.95911	3.9
96.96884	1.2
97.02831	3.2
97.06522	1.4
99.00797	6.6
101.02345	10.8
107.04894	1.5
108.02047	1.8
108.08089	1.3
109.02876	3.1
109.06505	18.8
113.02359	4.8
119.03404	1.6
119.33265	1.2
121.02880	2.1
121.70571	1.3
123.00763	3.8
123.04434	2.2
124.01573	3.1
125.02332	4.4
125.09651	2.5
127.11189	1.2
134.03624	1.6
135.04370	1.9
135.08144	1.9
137.02400	10.1
138.05479	1.2
139.03937	3.3
151.00253	1.4
151.03954	1.6
153.01801	3.2
153.05466	2.3
160.01599	2.2
161.02333	2.3
161.04480	4.8
161.09694	1.3
163.03926	1.3
163.11232	11.9
167.03406	1.7
168.04248	2.8
171.10208	5.4
175.03972	4.5
177.01799	1.3
181.12360	8.7
181.13678	1.4
185.11769	1.5
189.09210	1.5
193.04977	2.7
199.09726	1.8
199.13397	9.5
199.63800	1.5
201.11368	2.9
205.04953	1.2
207.10262	48.0
208.10591	3.5
225.07808	2.0
225.11339	38.8
226.11682	2.6
227.08293	2.2
231.16037	2.4
243.12448	9.3
253.09360	10.8
289.11905	2.6
337.09277	2.7
451.21857	2.1
451.32779	2.1
461.20480	9.7
462.21326	1.5
475.12296	2.7
479.21524	10.3
511.17545	2.9
511.24176	21.5
512.24060	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	509.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72521	0.2
52.77255	0.3
59.01278	0.3
60.39824	0.2
78.95800	7.1
96.96866	0.7
138.52991	0.2
152.99536	12.7
171.00525	1.5
196.89410	0.6
197.11699	0.3
214.03450	0.2
227.03273	2.4
245.04407	1.4
254.88881	0.2
281.24933	100.0
282.25287	10.5
282.28513	0.3
311.22391	0.8
411.32083	0.2
411.85974	0.2
498.92310	0.3
509.28976	34.2
510.29395	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	510.09
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.3
60.79519	0.7
61.98718	15.8
63.02256	0.7
69.55992	6.1
71.01262	1.8
73.00566	0.8
83.01257	1.2
85.02840	0.9
85.48547	0.6
96.95973	0.8
101.02305	1.0
107.01314	3.4
108.02116	1.2
108.23019	0.7
109.02874	2.2
111.07906	0.8
113.02390	0.9
121.02848	3.5
123.00800	1.8
125.02387	2.5
135.04602	0.8
137.02390	1.4
139.03943	1.4
144.01157	0.8
151.00317	11.7
152.00809	1.0
153.01903	3.9
155.86388	0.8
163.00331	3.2
164.00952	1.5
168.00642	1.0
168.04240	2.2
169.01422	0.9
175.03928	0.9
178.99805	6.6
179.03429	0.9
183.03000	4.3
187.04001	1.0
203.03345	1.0
211.04018	1.1
226.13385	0.7
227.03470	1.6
229.05058	1.3
242.02138	2.7
243.02936	6.7
244.02888	2.1
245.04575	1.5
254.02249	0.9
255.03033	16.9
256.03436	1.9
258.01782	1.1
259.02118	2.3
260.02356	2.2
261.02698	2.1
269.00443	0.9
270.01498	1.2
271.02554	34.3
272.02948	3.4
273.04282	4.0
274.04407	2.4
275.04645	3.8
276.04935	2.6
283.02551	2.0
286.01187	1.6
287.01675	2.4
288.02115	3.0
288.05835	0.7
289.02155	1.9
299.02069	1.0
300.02826	70.1
301.03555	51.0
302.03796	7.8
303.04251	1.7
304.04422	2.0
315.01468	1.0
316.01730	2.5
317.06168	0.9
318.06461	1.3
327.07239	3.4
329.03018	1.6
330.03586	3.5
331.03757	2.4
332.04385	3.7
344.05438	2.0
345.05753	4.6
346.06363	4.5
347.06528	7.2
348.07385	1.6
364.18219	0.9
441.55115	0.8
447.09424	100.0
448.09781	12.7
479.16016	0.8
495.09497	0.8
509.12378	4.6
509.23560	1.3
510.12479	34.6
511.14529	8.0
516.31824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19404	6.0
55.65133	6.2
56.59797	5.6
58.88076	5.5
59.01267	91.0
61.98719	100.0
62.52147	6.1
68.83245	5.6
69.51691	43.1
71.01281	36.0
72.99220	6.5
73.02854	10.8
75.00747	6.3
78.33973	5.3
78.95805	10.3
83.01253	7.1
85.02846	15.0
87.00758	7.8
89.02354	25.1
101.02370	37.5
103.03928	9.8
113.02354	11.2
117.91177	5.9
119.03425	13.2
121.02867	8.5
121.80737	5.9
123.00804	9.1
124.01625	6.2
135.11259	5.1
137.02370	25.0
143.03445	6.5
153.06548	5.2
163.06088	62.4
165.05544	9.3
166.06322	7.0
166.40573	5.5
167.10785	17.6
169.05049	7.4
173.06084	27.5
177.05536	18.3
181.08723	30.3
191.05473	5.6
201.05545	34.9
202.02686	15.3
205.07213	10.2
209.11819	10.9
219.06616	29.1
220.07295	12.8
224.26115	5.2
224.80774	5.9
247.05940	9.1
247.08247	45.2
251.09271	5.2
272.11374	6.5
307.10312	13.9
313.07251	10.3
315.60098	6.1
317.13962	19.3
325.11511	13.2
349.20248	24.9
382.12750	6.9
414.12076	9.4
451.25134	8.0
511.19424	49.7
511.30588	8.7
511.36954	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	509.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22600	0.2
55.01767	0.6
56.92649	0.2
57.03336	0.8
59.01265	4.1
68.99711	0.8
70.44117	0.8
71.01276	6.7
72.99198	0.4
73.02829	2.7
75.00758	0.4
75.90043	0.2
83.01292	1.3
84.88618	0.2
85.02847	4.4
86.00014	0.2
87.00780	0.3
88.98730	0.3
89.02364	1.2
93.03362	21.7
94.03693	0.7
95.01279	1.6
96.99232	0.7
97.02858	0.3
99.00784	0.7
101.02347	5.3
108.02089	1.0
109.02854	0.5
111.00761	0.3
113.02356	2.9
118.95029	0.2
119.03452	0.4
121.02876	1.3
123.00775	0.4
123.04489	0.4
125.02350	0.4
134.03670	0.2
135.04468	0.3
136.01595	2.6
137.02379	62.8
138.02722	2.7
139.03908	0.2
143.03537	0.3
147.04478	0.5
149.02460	0.3
151.00365	0.2
151.03986	0.3
153.01897	0.5
153.05524	0.4
159.02962	0.3
161.02454	0.2
161.04526	0.5
163.03967	0.6
163.68140	0.2
177.05571	0.4
179.03452	0.9
181.04953	0.4
191.03625	0.5
191.14409	0.3
203.03661	0.3
215.03606	0.2
220.73282	0.2
221.04532	1.7
225.15067	0.4
227.16505	0.7
243.03166	0.4
244.03368	0.3
259.02530	0.6
260.02795	0.6
261.03119	0.4
271.02560	0.6
272.02853	0.4
273.03098	0.9
281.06757	1.6
287.02042	0.9
288.02417	1.2
289.02509	1.6
315.01605	2.2
316.01843	2.6
317.02100	4.5
330.03894	3.9
331.04181	4.7
332.04446	8.4
333.04807	0.6
345.06229	4.6
346.06570	5.5
347.06793	13.0
347.27875	0.2
348.07040	1.0
509.24036	100.0
510.24347	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	509.2042
Annotation	Lactoside B
Peak:m/z	Relative Intensity
57.03329	0.5
59.01269	1.2
61.86399	0.2
61.98722	0.3
65.00200	0.4
70.75623	0.5
70.75990	0.5
71.01261	0.9
72.99186	0.5
73.88249	0.2
74.02383	0.2
78.95794	0.3
83.01262	0.6
85.02872	0.2
89.02339	0.5
90.94559	0.2
93.03355	0.7
95.01302	0.6
96.95905	2.6
96.96857	0.3
101.02357	0.6
107.01325	0.7
108.02072	1.1
109.02880	2.4
111.00811	0.5
111.04440	0.4
113.02357	0.3
116.92757	1.4
118.36592	0.2
119.04939	0.2
120.44622	0.3
121.02878	2.0
122.03656	12.3
123.00812	0.5
123.04512	2.8
124.01608	2.1
125.02390	1.9
127.52065	0.2
133.02850	0.2
134.03688	0.7
135.04474	1.8
136.01558	0.4
137.02385	2.7
139.00293	0.3
139.03903	0.4
147.04486	3.1
148.05225	0.5
149.06020	0.7
150.03152	0.3
151.00304	2.8
151.03835	0.4
152.01108	4.1
153.01872	1.5
153.05521	0.3
154.02695	2.1
154.99818	0.3
161.02396	0.8
161.06021	0.7
162.06805	0.8
163.03966	0.6
165.01863	1.0
165.05531	17.3
166.05859	0.8
167.03459	7.8
168.03804	0.3
169.01408	0.4
173.06158	0.3
175.07602	0.7
178.06314	0.9
178.99826	2.6
179.03496	0.4
179.07085	3.3
181.04871	0.3
191.07066	0.6
195.02934	0.3
195.44049	0.2
197.04616	0.3
209.08215	1.1
210.08795	0.3
211.06067	0.4
215.07231	0.3
235.05589	0.3
271.09586	0.3
284.10587	0.3
287.13065	0.3
299.02136	0.3
299.13046	1.0
301.10965	0.6
302.11490	0.3
314.04520	0.5
315.01660	0.3
315.07452	0.3
317.13934	1.0
319.08340	0.6
329.06744	1.9
329.14090	0.5
332.12671	2.1
333.13217	0.4
347.07977	2.8
347.15085	100.0
348.08411	0.5
348.15417	11.8
509.13120	7.8
509.20746	1.9
510.14172	1.3
510.20499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	2.2
58.00488	4.2
59.01266	100.0
60.01590	2.3
61.98710	6.6
65.59268	1.7
67.01772	2.3
71.01273	79.0
71.62372	1.8
72.99201	7.5
73.02843	4.7
75.00775	4.5
79.95628	2.6
80.96400	9.1
83.01291	5.4
83.04895	1.7
85.02848	13.6
87.00771	8.9
89.02340	81.7
90.70962	1.5
93.03387	2.0
94.09084	2.0
94.97969	2.0
95.01280	3.6
96.95925	4.2
99.00806	1.9
101.02350	37.8
107.01316	1.9
107.03471	1.8
107.21682	1.9
108.02069	4.0
109.02851	12.6
111.00836	2.0
113.02364	29.0
114.02699	1.9
119.03428	33.2
121.02906	4.7
123.00807	6.0
123.04438	2.5
124.01578	5.9
125.02365	9.1
128.03450	4.1
131.03441	4.9
134.03647	1.7
136.01564	4.0
137.02365	3.4
139.03955	4.1
143.03432	11.8
143.04501	3.0
146.02437	4.4
149.02425	2.0
149.04501	4.0
149.06056	2.7
151.03961	4.8
152.01170	2.5
153.01892	17.3
153.05553	2.5
157.05309	1.9
161.02379	1.8
161.04535	18.3
167.03471	2.3
179.05591	76.7
179.07173	4.2
180.05978	3.1
184.44826	1.8
185.04713	4.2
189.05518	2.5
207.06621	2.4
213.07921	4.5
215.07121	4.3
217.10799	2.5
224.07222	9.8
225.00786	2.7
235.09842	2.0
242.08244	23.3
254.07726	3.0
311.09204	2.7
311.56659	1.9
326.11624	3.2
341.10199	3.9
341.14029	5.9
343.11407	2.3
347.15347	2.4
359.10971	2.7
359.15161	4.4
449.27869	6.5
509.17001	9.2
509.23834	38.6
509.31931	2.6
510.16846	2.6
510.23822	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	7.9
61.49830	0.6
61.98719	16.5
65.00198	0.9
71.01269	7.4
71.46014	1.1
72.36372	0.7
72.99220	0.8
73.02842	1.2
73.92662	0.6
85.02843	3.0
87.00791	0.7
89.02318	2.4
95.01287	2.3
98.98368	0.7
99.00790	0.9
101.02351	3.3
102.32418	0.6
107.01292	2.0
108.02077	8.0
109.02866	10.6
111.00774	1.9
113.02360	2.0
121.02882	5.1
122.03649	0.7
123.00797	3.8
123.04411	6.2
124.01572	2.4
125.02346	1.8
127.97993	0.9
135.00763	0.8
137.02396	3.7
139.00267	2.1
139.03929	2.1
149.02351	0.7
151.00336	3.4
151.03946	1.2
152.01093	24.6
153.01894	23.2
153.05510	2.4
155.03496	0.8
161.04637	0.8
162.03081	1.3
163.03905	0.8
165.01978	0.9
165.05516	1.5
166.02678	4.1
166.99805	1.5
167.01231	0.8
167.03456	19.4
168.00627	0.8
177.01895	1.1
177.05484	0.9
178.99803	2.7
179.03375	0.7
180.04129	0.7
181.01378	1.6
181.04991	5.0
182.02155	2.7
183.03000	7.3
187.04053	0.9
189.01802	0.7
191.03459	0.7
192.00647	0.8
195.02977	46.6
196.03307	2.6
197.04518	5.3
203.03503	1.1
215.03366	1.1
225.04097	1.3
231.02989	1.3
239.05663	0.7
242.02248	0.8
243.02989	0.9
255.05142	100.0
256.05490	7.1
257.00848	2.0
258.01630	2.8
259.02313	3.1
262.58508	0.7
271.02481	1.0
274.01352	0.8
285.00403	0.7
286.01239	2.7
287.02036	10.9
288.02444	1.7
299.40732	0.7
300.02670	0.8
301.03641	2.9
302.00726	0.9
302.04016	0.8
303.01370	1.5
314.00870	1.7
315.01654	14.8
315.07260	21.5
316.01913	2.4
316.07532	1.4
317.03091	1.2
318.03723	1.5
326.06439	0.9
327.07269	12.5
328.07657	0.9
329.03107	8.0
331.00940	2.4
331.04486	1.4
341.08844	8.2
342.09235	0.9
346.03403	7.8
347.04059	4.6
347.15149	5.3
347.24405	1.5
351.72256	0.8
425.70285	0.8
446.11038	0.6
449.11844	0.7
449.31500	1.6
463.21896	1.3
472.14655	0.7
477.06696	2.0
478.07556	2.3
479.08005	1.1
491.08521	1.2
509.08545	23.5
509.29391	3.1
510.08963	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	508.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.0
61.98724	0.6
62.34475	0.4
69.24736	2.0
69.25163	3.1
71.01271	1.2
71.04921	1.1
78.95797	14.6
89.02344	0.8
113.09686	0.4
122.00034	0.8
125.09616	2.7
127.11235	0.6
129.09123	0.6
139.11203	1.2
140.01105	6.4
141.12833	0.4
143.35417	0.4
150.10466	0.6
152.11369	0.5
152.99553	2.7
153.12750	1.2
154.53802	0.4
163.11226	5.8
164.11887	0.6
165.12802	1.7
167.10730	1.3
167.14398	1.0
168.11482	1.8
171.00542	0.5
179.14253	0.8
181.12308	0.7
182.13098	1.8
196.03769	2.4
197.11858	0.8
211.13440	1.2
214.04855	8.5
249.22275	6.6
250.22653	0.7
275.19830	0.5
293.21304	88.4
294.21664	11.3
294.24808	0.4
311.22363	100.0
312.22672	11.7
464.63766	0.5
498.51352	0.4
506.24277	0.5
508.26917	68.9
509.27252	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	508.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99776	0.3
51.16231	0.3
57.03343	0.6
59.01267	1.1
61.98692	0.3
67.93885	0.3
71.01271	0.7
71.55672	0.5
78.95367	0.6
78.95799	8.5
84.23693	0.3
84.25836	0.3
85.02837	0.3
85.71587	0.3
97.06510	0.4
99.08097	0.3
101.02380	0.5
107.05038	0.3
113.02375	0.3
113.09637	1.0
115.07542	1.4
128.08369	0.8
140.01135	3.7
143.85059	0.3
152.99516	1.1
160.73592	0.3
163.11279	0.4
165.12750	0.4
167.14374	4.0
178.54898	0.3
179.07114	0.8
183.13869	3.2
195.13887	14.0
196.03801	2.1
196.14188	1.0
211.13387	1.0
213.14944	2.1
214.04881	5.4
241.14519	0.5
242.15350	1.5
249.22229	0.7
265.21729	0.9
267.23380	1.0
275.20093	0.6
283.22858	0.8
293.21317	12.0
294.21625	1.0
309.20895	0.5
311.22363	100.0
312.22726	11.8
346.30588	0.3
427.67590	0.3
436.03787	0.3
473.67566	0.3
496.68945	0.3
508.26935	41.7
509.27353	7.5
510.36462	0.4
517.83392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.5
57.03340	2.5
58.00481	1.3
59.01268	22.0
60.01599	0.2
61.98739	1.1
67.01778	0.2
67.05596	0.2
68.99718	0.3
69.03348	0.7
71.01273	45.2
71.55815	0.2
72.01616	0.8
72.99207	1.9
73.02839	12.0
74.03166	0.4
75.00767	0.9
78.95797	0.4
81.03376	0.4
83.00799	0.4
83.01281	5.8
84.02065	0.3
85.02847	21.6
85.99992	0.5
86.03205	0.5
87.00771	1.8
89.02340	10.7
95.01293	4.2
96.95975	0.3
97.02858	1.2
99.00784	5.6
101.02352	28.8
102.02691	0.8
111.00793	2.6
113.02360	18.2
114.02694	0.5
119.03437	2.7
121.02860	0.3
123.00804	0.8
123.04429	0.4
124.01604	3.8
125.02403	1.4
129.01871	0.6
131.03418	0.8
133.02861	0.4
137.02382	0.3
139.00345	0.5
139.03947	3.2
141.01915	0.4
143.03439	1.5
149.04523	1.0
151.00356	0.2
151.03969	0.3
152.99580	0.3
153.01874	0.3
157.12274	0.3
159.02948	3.3
160.01476	0.2
160.95540	0.4
161.01173	1.2
161.04507	13.6
162.04823	0.5
162.95317	0.8
167.10692	0.3
175.03925	0.2
179.05576	0.6
179.10744	0.8
191.05589	0.2
205.03517	0.6
211.13332	0.5
229.08571	0.2
253.14426	0.2
258.07813	0.8
285.78491	0.2
293.08838	0.7
299.25946	1.1
311.06390	0.2
329.03033	0.2
330.03818	0.2
345.06033	0.2
345.30179	6.9
346.30518	0.9
387.31116	0.3
410.15387	0.2
447.22250	0.3
507.35504	100.0
508.35870	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	507.2739
Annotation	Epiamauromine
Peak:m/z	Relative Intensity
59.01249	1.6
59.69796	0.9
69.19910	4.6
69.20334	7.1
78.36620	1.1
78.95797	45.1
96.95917	8.4
96.96858	4.0
143.83136	0.9
152.99530	61.0
153.92638	1.1
169.12344	2.5
171.00584	19.3
196.89522	1.3
227.03088	2.1
237.19379	1.0
245.04361	100.0
246.04697	3.7
279.23370	50.8
279.26489	2.3
280.23767	6.6
293.21179	2.2
300.31824	1.1
311.22247	4.5
507.27289	45.6
508.27707	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	507.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69419	0.3
57.03343	1.4
59.01258	0.9
61.98713	0.6
69.03333	0.4
70.77425	1.0
78.95771	0.4
83.04913	0.5
85.04036	0.3
86.02680	0.3
95.04949	0.7
96.95932	0.9
97.06504	2.6
111.08066	0.4
113.09647	0.4
125.09694	0.7
127.11212	1.2
129.09114	0.9
133.10104	0.5
134.54875	0.3
141.09166	0.4
145.02805	0.3
149.09589	0.4
151.10060	0.6
151.11235	11.5
151.12450	0.6
152.11598	0.6
152.99539	0.9
153.12788	2.6
169.12306	23.7
170.12643	1.2
181.12318	7.6
182.12677	0.4
195.10277	1.8
197.11795	0.8
199.13387	1.0
213.11331	16.7
214.11749	0.8
227.13033	0.4
228.13666	0.9
241.31915	0.3
245.04286	0.6
249.22334	0.8
265.21841	1.0
267.23376	0.6
275.20224	0.7
277.14471	0.3
283.22998	0.6
293.21320	8.9
294.21640	1.3
311.22363	100.0
312.22739	10.8
312.25525	0.2
312.26489	0.3
333.24374	0.4
362.37439	0.3
389.26624	0.3
427.32413	0.8
445.33258	1.8
448.53052	0.3
471.31573	0.5
489.32422	3.4
507.33408	19.3
508.33926	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
63.98624	0.2
69.59622	1.5
70.18502	0.2
72.68166	0.2
78.95797	12.0
96.96896	1.0
97.06471	0.2
152.99538	13.4
153.99847	0.4
161.02423	0.5
168.04321	1.4
171.00604	1.6
189.89554	0.2
197.11823	0.7
200.45259	0.2
224.06990	0.7
227.03249	2.5
242.08017	1.7
243.08284	0.5
245.04477	1.4
261.22137	0.6
279.23358	100.0
280.23697	11.1
281.24927	29.8
282.25266	59.9
283.25592	3.9
291.19690	0.8
309.20737	0.9
313.49228	0.2
327.21545	0.2
415.24875	0.3
507.27365	31.6
507.33337	6.5
508.27444	5.3
508.33249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.1
57.03326	1.8
58.00483	2.9
59.01269	60.7
59.01572	2.9
61.98715	6.6
68.77080	1.4
71.01273	58.9
71.55853	2.5
72.99190	2.6
73.02839	16.4
75.00774	1.3
78.95792	2.4
82.95044	1.4
83.01285	5.0
85.02852	17.0
87.00787	2.8
89.02343	58.0
95.01300	6.2
97.02838	2.3
99.00783	17.8
101.02348	39.5
103.65617	1.6
108.02073	1.7
108.04460	5.5
108.12009	1.4
109.02908	2.8
111.00806	3.3
113.02369	20.8
113.03128	1.3
119.03433	10.2
121.02879	2.2
122.99910	2.5
123.00806	42.4
123.04453	2.6
124.01594	95.2
125.02429	7.5
131.03403	9.6
133.10155	4.3
135.11763	11.2
137.02347	3.1
137.49857	1.3
137.99483	2.2
138.01967	3.3
138.03171	10.1
139.00325	4.7
139.03951	100.0
140.04300	3.3
143.03452	5.7
149.04506	33.2
152.03505	3.3
152.99493	2.2
153.98097	1.6
160.01668	1.5
160.81099	1.5
161.04509	16.1
161.09665	13.2
163.06102	2.7
165.05508	2.0
166.98598	1.4
179.05545	3.5
179.10745	26.5
181.04909	1.6
181.08588	2.0
183.08086	1.8
187.16272	1.6
191.05513	7.9
203.10738	2.7
211.13359	3.9
223.09709	2.9
228.25151	1.7
245.11836	1.4
251.07657	2.2
253.14496	2.5
259.02213	1.4
263.12714	1.6
267.19769	8.7
271.02271	1.4
293.17749	3.1
301.09534	8.4
310.21359	2.1
311.18719	4.5
323.15106	5.0
330.04092	1.7
340.89343	1.4
344.05280	1.7
345.06177	3.4
444.14743	1.8
447.22409	70.1
448.22858	12.2
507.11243	5.3
507.18954	11.5
507.34451	6.2
508.23969	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	507.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01609	1.3
61.98718	2.8
69.29942	0.6
69.35867	6.1
71.01270	6.9
72.00792	0.8
73.02851	2.5
74.02369	4.9
74.98972	4.3
75.00757	8.5
79.87173	0.6
85.02863	2.3
86.02361	1.0
87.00797	1.3
89.02349	2.4
93.03383	0.8
95.01300	0.9
96.95912	1.0
98.02388	0.7
98.20553	1.3
99.00814	1.4
101.02364	3.1
102.01904	1.2
102.98499	0.8
109.02873	1.1
113.02353	2.3
115.03983	0.8
116.03449	5.6
116.92783	3.9
117.01853	2.2
117.02966	2.3
117.03748	1.4
117.05478	1.0
119.03457	1.4
121.02876	2.6
123.04449	1.0
123.06895	0.7
125.72327	0.8
126.52847	0.6
132.04491	1.1
133.05014	2.0
136.99109	4.0
137.02386	0.7
143.03477	1.1
150.05376	0.7
151.03970	1.6
153.01918	2.8
153.05528	2.2
159.02922	1.3
161.04494	7.4
168.89929	0.7
181.05028	37.4
182.05380	1.5
187.69112	0.7
196.07388	38.6
197.07751	2.0
203.98726	0.7
209.90660	0.7
211.09749	93.6
212.10077	8.7
235.08212	6.1
241.05138	0.7
250.78148	0.8
283.05121	0.9
345.10504	1.6
345.14026	1.8
447.18771	8.0
507.18942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.1
57.03326	1.8
58.00483	2.9
59.01269	60.7
59.01572	2.9
61.98715	6.6
68.77080	1.4
71.01273	58.9
71.55853	2.5
72.99190	2.6
73.02839	16.4
75.00774	1.3
78.95792	2.4
82.95044	1.4
83.01285	5.0
85.02852	17.0
87.00787	2.8
89.02343	58.0
95.01300	6.2
97.02838	2.3
99.00783	17.8
101.02348	39.5
103.65617	1.6
108.02073	1.7
108.04460	5.5
108.12009	1.4
109.02908	2.8
111.00806	3.3
113.02369	20.8
113.03128	1.3
119.03433	10.2
121.02879	2.2
122.99910	2.5
123.00806	42.4
123.04453	2.6
124.01594	95.2
125.02429	7.5
131.03403	9.6
133.10155	4.3
135.11763	11.2
137.02347	3.1
137.49857	1.3
137.99483	2.2
138.01967	3.3
138.03171	10.1
139.00325	4.7
139.03951	100.0
140.04300	3.3
143.03452	5.7
149.04506	33.2
152.03505	3.3
152.99493	2.2
153.98097	1.6
160.01668	1.5
160.81099	1.5
161.04509	16.1
161.09665	13.2
163.06102	2.7
165.05508	2.0
166.98598	1.4
179.05545	3.5
179.10745	26.5
181.04909	1.6
181.08588	2.0
183.08086	1.8
187.16272	1.6
191.05513	7.9
203.10738	2.7
211.13359	3.9
223.09709	2.9
228.25151	1.7
245.11836	1.4
251.07657	2.2
253.14496	2.5
259.02213	1.4
263.12714	1.6
267.19769	8.7
271.02271	1.4
293.17749	3.1
301.09534	8.4
310.21359	2.1
311.18719	4.5
323.15106	5.0
330.04092	1.7
340.89343	1.4
344.05280	1.7
345.06177	3.4
444.14743	1.8
447.22409	70.1
448.22858	12.2
507.11243	5.3
507.18954	11.5
507.34451	6.2
508.23969	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	507.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49824	0.4
59.01009	0.6
59.01263	3.7
60.12465	0.5
61.98716	1.4
65.00224	0.5
66.71526	0.4
71.01268	4.5
71.54472	0.5
72.99209	0.7
73.02838	1.3
74.02350	0.6
81.61501	0.4
83.01263	0.6
85.02854	1.6
89.02342	1.4
93.03357	1.1
95.01280	0.6
96.95921	1.2
101.02354	2.3
107.01273	0.7
108.02103	0.5
109.02872	0.6
110.00010	0.5
113.02354	1.3
116.92755	0.5
117.03396	1.4
121.02878	0.8
123.00810	1.3
124.01587	2.1
125.02369	1.8
128.03461	1.0
132.02112	2.5
133.02882	37.8
134.03601	2.5
135.04459	14.9
136.04803	0.6
137.02385	2.7
137.99504	0.5
139.00302	0.7
139.03955	2.0
143.04581	1.4
149.02492	0.5
149.05994	1.1
151.00328	4.1
151.03978	0.6
152.04701	2.2
153.01878	19.1
154.02492	1.0
160.01649	1.0
161.02393	100.0
162.02736	4.8
163.00339	0.9
164.01160	0.9
165.05539	1.4
167.03447	0.6
167.07068	0.7
168.04239	14.4
169.04829	1.3
171.04390	0.6
175.00490	0.5
175.03937	3.0
177.01904	0.6
177.05524	1.8
178.02725	1.1
178.99841	0.5
179.03452	9.1
179.10822	0.4
180.04216	0.4
183.06569	2.1
187.03952	0.8
193.04987	1.3
196.03757	1.5
199.03880	0.7
201.11340	1.3
202.02701	0.9
203.03433	2.0
209.11789	1.5
211.06096	3.3
213.05420	0.8
214.02718	1.3
215.03499	1.8
215.69601	0.4
217.01372	0.5
221.04541	2.0
222.07788	0.6
225.11302	0.9
227.03477	0.8
229.01588	0.7
230.02251	3.9
231.03033	2.6
241.01563	1.1
242.02203	3.3
243.02991	4.7
244.03416	0.7
245.00992	0.6
255.05209	0.5
257.00894	2.1
258.01596	6.2
259.02527	7.9
260.03009	0.5
263.05542	0.8
269.00854	2.0
270.01706	3.1
271.02527	8.6
272.02963	1.2
272.08987	0.5
273.00888	0.4
273.04047	1.3
274.01361	1.1
284.03146	0.7
285.00601	0.9
285.04056	1.4
286.01230	10.0
286.04312	0.6
287.02020	16.1
287.05338	1.0
288.02444	1.2
297.00296	0.6
298.01251	5.3
299.01987	1.4
300.02759	1.2
301.03534	7.1
302.04025	1.8
306.07843	1.2
307.08493	0.5
313.03607	8.1
314.00836	2.1
314.04037	0.9
315.01538	34.5
316.01959	4.0
323.07785	14.0
324.08112	1.3
328.02319	1.0
329.03079	30.6
330.03857	66.3
331.04266	7.9
337.09521	1.2
343.04669	3.4
344.05093	8.2
345.06219	66.9
346.06555	7.9
387.07224	0.5
447.22290	0.8
477.06720	0.9
492.09091	4.8
493.09705	0.8
507.11392	34.1
507.15094	31.6
507.27707	1.4
508.11899	5.2
508.15613	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	507.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68196	0.5
59.01261	1.6
65.30534	0.6
69.60949	4.4
71.01275	1.9
72.99200	1.0
75.00765	9.3
75.45795	0.6
78.95800	1.1
87.00774	22.3
89.02384	0.9
96.95914	1.3
96.96863	1.5
98.20253	1.9
99.00793	3.3
101.02370	0.9
105.01854	22.4
105.37086	0.7
115.00304	1.0
129.01834	1.7
133.01364	1.9
135.02931	1.5
147.02940	4.5
150.24812	0.6
165.04010	100.0
166.04315	3.4
507.10599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63780	0.2
53.19151	0.2
59.01199	1.8
64.53768	0.2
70.93519	0.5
70.93860	0.3
71.01194	1.2
75.00703	0.3
83.01215	0.2
84.04391	0.6
85.02798	0.5
89.02277	0.7
89.02868	0.2
94.02780	0.4
95.03654	1.2
96.07978	0.3
97.01486	0.2
101.02316	0.4
101.37601	0.2
104.04906	0.7
106.06528	1.7
107.01243	0.2
108.04387	0.3
112.03864	0.7
113.02296	0.5
120.04380	0.4
121.02802	0.6
122.06017	1.5
123.00736	0.5
123.03152	0.4
123.04506	0.3
124.07603	4.4
126.44873	0.2
132.04486	25.4
133.05286	13.5
134.06076	3.3
135.06340	0.3
138.05458	0.5
146.02423	0.3
148.03874	1.1
150.05563	1.5
151.00288	1.2
165.04271	16.2
166.04575	0.7
176.03404	1.1
176.07039	0.7
177.02946	0.3
177.04289	3.6
178.04988	1.5
178.99847	1.4
184.07593	0.5
185.08322	0.4
186.09200	1.8
198.09155	0.6
209.03305	5.8
210.03862	0.3
213.06647	1.0
214.12387	3.6
215.11874	4.9
216.12144	0.4
225.08286	0.3
226.07449	0.6
227.08162	0.9
229.08058	0.3
229.09882	2.7
239.08253	0.3
239.11911	0.3
240.08614	0.3
240.10252	1.5
241.09853	2.8
242.10356	0.3
255.11473	1.7
257.12997	23.8
258.13284	1.7
267.07715	0.3
268.08554	0.5
272.07761	0.3
273.08823	0.3
283.10944	10.4
284.11331	1.1
285.08823	0.4
301.12006	12.7
302.12390	1.4
327.09601	1.3
331.01120	1.4
332.01688	0.4
345.10989	100.0
346.11334	11.0
387.11960	0.6
447.13669	0.3
507.16522	11.2
508.17004	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53918	1.0
59.01268	1.7
71.01277	6.4
71.33227	1.5
73.02843	2.3
83.01273	1.3
85.02839	2.8
86.51616	1.0
93.03337	1.8
95.01276	2.5
101.02360	1.8
113.02370	3.3
119.01263	4.8
121.02882	3.2
123.00803	15.7
124.01595	34.3
125.02412	10.9
129.49892	0.9
132.02118	9.5
133.02870	1.8
133.94354	1.0
134.03674	9.5
135.04369	1.1
137.02371	2.6
138.03169	7.4
139.00325	7.6
139.03955	14.8
147.00803	3.7
149.02379	10.2
149.06070	2.0
149.99535	9.7
150.03128	1.3
152.01176	1.4
153.01883	5.0
154.02673	7.6
160.01611	42.5
161.02171	2.4
163.03923	2.2
164.04747	11.6
165.01923	1.6
165.05133	1.1
167.03482	1.4
168.00615	18.3
168.04208	1.9
169.01270	1.3
169.05022	7.0
175.00354	32.7
175.03972	50.4
176.01070	5.7
176.04352	2.5
179.07114	1.8
190.02702	98.4
191.03354	11.5
193.05061	8.6
205.05067	100.0
206.05409	7.0
208.03740	2.4
209.04710	2.1
223.06148	10.6
241.91786	1.1
265.07346	1.6
331.06766	3.5
332.07504	1.2
337.09302	12.3
339.19861	1.0
353.08804	1.5
367.10419	19.4
368.10681	1.6
386.00290	1.0
434.68292	0.9
507.15747	80.7
508.16162	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	507.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02687	0.3
54.64323	0.4
55.01720	2.9
57.03336	2.3
58.00448	0.8
59.01265	15.1
59.01535	0.7
61.10953	0.4
61.98673	0.6
69.03300	1.3
71.01271	33.2
71.01848	1.1
71.52441	0.4
72.99197	1.8
73.02837	14.7
75.00723	1.6
78.44512	0.4
78.49490	0.4
81.03313	0.8
83.01280	6.9
85.02843	17.8
85.99943	1.0
87.00758	1.8
89.02340	8.5
93.03320	1.3
95.01278	2.8
96.95921	0.7
97.02866	1.8
99.00787	8.0
99.04431	0.3
101.02351	26.0
102.02678	0.6
108.02124	0.4
109.02872	2.7
111.00779	1.3
113.02358	14.5
115.03912	1.2
117.03354	0.9
119.03396	1.2
120.99505	0.4
121.02885	1.2
123.00828	0.8
123.04407	0.6
124.01552	1.1
125.02368	4.0
129.01874	1.0
131.03409	1.8
132.02080	1.9
133.02856	1.7
134.03668	10.1
135.04405	1.3
135.98286	0.4
137.02419	1.7
138.03159	3.2
139.00301	1.3
139.03947	73.7
140.04289	2.6
143.03445	1.2
149.04547	1.5
149.06027	1.5
151.00346	1.3
151.03896	0.4
152.01059	0.5
153.01915	0.5
153.05545	0.6
159.02950	2.4
160.01610	10.5
161.02438	6.0
161.04485	10.0
162.02693	0.4
165.05495	0.5
167.03426	1.2
168.04216	2.3
169.05022	100.0
170.05367	4.1
175.03975	15.9
176.04401	1.1
177.05617	0.4
179.03461	1.2
179.05629	0.3
183.06583	2.0
189.95483	0.4
191.05663	0.7
191.07227	0.4
193.05025	7.9
194.05566	0.5
196.64037	0.4
205.03589	0.7
233.06770	1.7
255.19763	0.5
271.02670	0.7
287.02130	0.6
293.09012	1.0
313.09808	0.7
316.02383	0.9
323.07938	2.5
327.09027	0.7
331.04749	3.5
331.10422	24.3
332.05069	0.4
332.10760	2.1
337.09363	20.9
338.09778	2.2
345.06528	0.9
375.23972	25.0
376.24332	2.8
419.22964	3.6
451.32776	0.4
507.16037	27.7
507.28168	99.2
508.16214	4.8
508.28506	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68846	0.6
59.01266	6.0
59.95287	0.6
61.98707	1.0
64.35181	0.7
70.84773	2.0
71.01266	10.3
71.04919	1.1
72.99213	0.9
73.02857	2.2
81.03349	2.2
81.17743	0.7
83.01281	1.8
85.02859	4.1
85.03275	0.7
85.78135	0.6
85.81151	0.6
87.00767	1.1
88.03942	4.2
89.02358	2.5
93.03345	0.9
95.01325	0.8
96.95930	0.9
99.00793	2.0
99.08076	1.1
101.02348	3.6
107.01248	1.6
108.02088	2.9
109.02901	1.7
110.00006	6.6
111.00794	3.9
113.02334	3.7
114.02724	0.7
115.61066	0.7
117.03374	1.5
119.03457	0.9
119.04966	1.3
120.99574	0.9
121.02892	2.6
123.00784	0.7
123.04483	1.6
124.01601	1.2
125.02393	8.0
125.06017	0.8
126.02777	0.7
132.02100	16.7
133.02911	7.8
134.03676	21.8
135.04503	6.9
136.01677	0.9
137.02400	4.5
137.99525	6.9
139.00310	21.4
139.03951	4.4
143.03465	0.7
145.08679	4.2
146.08157	3.8
147.04480	1.3
149.02370	1.6
149.06018	5.7
151.00294	4.5
151.03976	1.4
151.86932	0.7
152.01073	5.2
153.01888	100.0
153.99120	0.7
154.02682	23.5
155.03307	2.3
156.36153	0.7
160.01617	73.3
161.02414	24.5
161.06010	0.8
162.02779	1.0
164.04774	0.6
167.03490	8.4
168.00639	1.1
168.04239	31.6
169.01402	2.4
169.05038	16.1
169.50882	0.7
175.03972	85.3
176.04266	5.4
177.01933	2.1
177.05647	1.3
178.02676	3.7
178.99800	0.7
179.03459	9.3
185.00578	0.7
193.05035	20.4
194.05414	1.8
201.05666	0.7
202.02693	1.6
203.03461	0.8
205.05063	1.8
213.01984	0.8
217.05087	1.3
218.10364	2.0
221.04692	2.2
223.06209	1.4
230.02281	2.2
241.01451	2.2
242.02228	7.2
243.02994	2.1
257.00992	1.2
258.01782	9.8
259.02643	1.7
265.07135	1.7
265.14468	5.1
269.00980	1.0
270.01709	3.5
271.02597	2.2
272.03256	1.3
273.04083	10.2
277.07019	0.7
277.77029	0.7
281.06586	1.1
286.01270	8.5
286.04285	1.0
287.01990	2.1
287.05740	1.9
295.08316	0.8
301.03632	10.0
302.04059	1.1
307.14099	1.8
314.00949	1.0
315.01575	2.3
315.04926	1.0
316.06024	2.3
317.06729	1.2
323.07816	18.3
324.08087	1.8
327.12204	0.9
329.03128	13.7
330.03836	4.7
331.04535	3.7
333.93726	0.8
337.09378	40.0
338.09781	5.3
339.09818	1.4
341.08905	1.3
344.05481	14.9
345.06149	11.4
346.06570	1.8
361.15121	1.0
367.10275	1.0
492.09631	1.3
506.27277	1.1
507.15067	75.4
507.27884	2.9
508.15503	13.3
508.24261	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	507.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02950	0.4
56.50150	0.4
57.03321	0.5
59.01275	3.5
61.98713	2.1
65.00223	0.3
71.01270	5.0
71.56198	0.5
72.99197	0.7
73.02840	0.9
75.00730	0.5
83.01264	0.6
85.02843	1.3
87.00778	0.6
89.02342	0.8
93.03355	0.9
95.01283	0.5
96.95876	0.6
97.02856	0.4
99.00764	0.5
99.05547	0.4
101.02331	2.0
108.02079	0.6
109.02856	0.8
113.02364	2.0
117.03397	1.5
119.03448	0.5
121.02887	0.6
123.00771	0.9
123.04456	0.7
124.01621	1.9
125.02380	1.7
128.03481	0.9
132.02098	2.6
133.02895	38.4
134.03596	1.7
135.04462	15.3
136.04802	0.6
137.02382	2.6
139.00185	0.5
139.03952	1.4
143.04558	1.2
145.02994	0.6
149.02466	0.6
149.06030	0.8
151.00351	2.2
151.03961	0.4
152.01016	0.5
152.04755	1.4
153.01891	17.5
154.02411	0.8
160.01660	1.3
161.02405	100.0
162.02757	5.4
163.00250	0.4
165.05527	0.8
167.07031	0.5
168.04253	13.9
169.04779	0.8
171.10263	0.9
172.08223	0.4
175.02705	0.4
175.03970	2.6
177.01913	0.4
177.05565	1.4
178.02737	0.5
179.03470	8.9
179.04910	0.7
179.10680	0.4
180.03815	0.4
183.06589	2.1
193.05008	1.2
196.03815	1.2
199.09816	0.4
201.11435	1.0
203.03481	1.1
209.11847	2.0
211.06148	3.1
212.31815	0.4
217.01529	0.5
221.04562	1.9
223.06252	0.5
225.11345	1.0
230.02193	1.7
231.03009	0.6
241.01460	0.4
242.02220	1.1
243.02979	1.4
245.01031	0.6
257.00989	1.7
258.01547	4.5
259.02399	2.0
263.05630	0.6
269.01044	0.9
270.01718	1.5
271.02533	2.3
272.09000	0.8
273.00375	0.4
273.03983	1.1
280.06039	0.4
285.00534	1.0
286.01178	6.3
287.01981	4.1
298.01245	2.2
300.02917	0.5
301.03561	4.4
302.03879	0.6
306.07654	2.2
307.08353	0.5
313.03494	2.8
314.00552	0.8
315.01538	6.6
316.02145	0.8
323.07806	16.3
324.08148	1.3
328.02292	0.8
329.03073	13.5
329.06866	0.7
330.03812	14.6
330.07813	0.7
331.04318	1.9
337.09424	1.5
343.04605	3.3
344.05145	7.6
345.06216	18.4
345.22574	0.4
346.06564	2.1
447.22305	0.6
492.08801	3.8
507.15082	52.7
507.28259	1.6
508.16125	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	507.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
71.01241	0.2
71.02685	0.4
80.57349	0.2
89.02278	0.1
107.01258	0.3
125.02369	0.2
133.02898	1.3
135.04401	0.6
136.35918	0.2
143.04971	0.2
145.02721	0.2
151.00311	1.6
153.01799	0.5
159.04459	0.2
161.01295	0.2
161.02411	3.5
163.00337	0.9
168.04211	0.4
171.04414	0.4
175.03925	0.3
178.99832	0.2
179.03441	0.4
184.05827	0.2
186.54036	0.2
187.03960	0.9
199.03955	1.1
201.01886	0.5
201.99265	0.2
203.03487	2.7
215.03506	2.5
217.01395	0.3
227.03430	0.4
230.02237	0.3
231.02995	2.9
232.03287	0.3
241.01405	0.4
242.02298	0.2
243.03033	5.3
244.03435	0.4
258.01740	0.5
259.02539	8.0
260.02829	0.6
269.00980	0.4
270.01794	0.6
271.02536	10.9
272.02847	0.7
285.04178	0.5
286.01273	1.0
287.02039	17.5
288.02386	1.6
298.01477	0.3
301.03622	0.6
315.01538	42.2
316.01868	4.1
323.07745	0.4
329.03140	1.5
330.03879	59.9
331.04221	6.3
331.08182	0.3
344.05411	0.3
345.06229	100.0
346.06573	11.1
385.67883	0.2
461.57413	0.2
507.11966	3.3
508.12421	0.6
522.59882	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1157
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
59.01273	2.8
65.00203	0.4
71.01259	1.4
73.02811	0.4
79.95705	0.3
83.01282	0.4
85.02843	1.1
89.02353	1.1
93.03316	0.5
97.02896	0.5
98.19784	1.0
101.02345	1.1
111.00781	0.6
115.03788	0.4
123.00816	1.9
123.04433	0.7
124.01597	4.1
125.02334	1.2
133.02882	0.6
135.04436	0.4
137.02374	2.3
138.03178	0.5
139.03947	4.1
161.02412	0.9
163.00342	1.3
163.06033	0.6
165.01891	3.2
177.01939	0.5
178.99850	0.4
179.03438	0.6
179.10696	0.7
186.03252	0.5
194.74623	0.4
202.02666	1.1
203.03458	0.5
207.62643	0.4
211.13324	0.7
214.02762	2.8
217.05098	4.2
218.05505	0.4
229.05020	1.0
230.02206	2.9
231.02942	1.1
241.01472	0.5
242.02251	4.7
243.02960	1.4
245.04662	2.4
257.04669	3.0
258.01758	3.9
259.02441	1.5
270.01740	5.8
271.02411	1.8
272.03125	0.4
273.04123	9.3
274.04401	0.9
284.03391	0.6
285.04123	7.8
286.01288	3.7
286.04294	0.8
287.02039	15.5
288.02460	1.3
301.03622	10.2
302.03998	1.4
303.66156	0.4
314.00751	1.0
314.97723	0.5
315.01544	31.6
316.01971	3.6
329.03125	37.0
330.03873	68.8
330.95178	0.4
331.04471	11.9
332.04669	0.6
343.04608	1.1
344.05438	5.9
345.06238	37.8
345.13245	1.3
346.06665	3.9
447.22440	0.6
477.06998	0.5
492.09183	7.2
493.09671	0.9
507.11575	100.0
508.11871	15.9
508.18079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83962	0.4
50.85003	0.4
59.01244	1.5
68.14973	0.4
69.03339	2.2
69.47950	1.8
69.48355	1.4
71.01272	2.1
73.02810	0.5
75.46764	0.4
81.03324	1.0
83.01250	0.7
85.02850	0.6
93.03322	0.4
95.01302	2.1
97.02851	2.2
98.20523	0.8
107.01273	1.0
108.02041	1.5
109.02865	1.0
113.02345	0.9
117.03286	0.6
119.01254	0.6
121.02837	1.8
123.00809	11.7
123.04379	0.5
124.01600	20.2
125.02383	35.4
126.02647	1.4
132.02037	1.3
133.02824	0.7
134.03674	5.1
135.04439	1.2
136.01535	0.7
137.02373	3.7
138.03136	2.1
139.03960	3.0
147.00742	0.6
149.02405	3.0
149.05971	0.6
149.99538	28.5
151.00336	2.8
151.03860	0.5
152.01024	1.8
153.01729	1.5
160.01607	6.8
161.02180	1.5
163.03813	0.7
164.04634	1.2
165.01736	0.6
167.03426	3.5
168.00606	52.6
169.01324	4.0
175.00354	4.4
175.03967	9.7
176.00893	1.2
176.04260	1.6
179.03380	0.5
187.00241	0.5
189.71902	0.4
190.02707	14.3
191.03455	3.4
192.48260	0.4
193.01361	0.6
193.05081	4.4
203.03291	0.9
205.05055	13.3
206.05392	0.6
210.96098	0.5
215.03293	0.7
223.05904	1.6
231.02788	0.7
242.02151	0.7
243.02940	0.8
258.01639	0.8
259.02438	2.1
271.02399	2.2
273.04001	0.5
281.06390	0.5
283.09796	0.7
286.01144	1.0
287.02005	3.8
301.03439	0.7
313.05804	3.3
314.00623	0.5
315.01535	13.3
316.01901	1.5
325.10495	1.4
329.03131	4.4
330.03928	10.7
331.06891	11.9
332.06964	0.9
337.09415	2.4
338.09781	0.7
339.09677	1.6
344.05164	1.2
345.06232	25.6
346.06689	2.6
353.08652	1.6
357.13669	2.6
367.10391	4.6
463.12048	0.4
489.10083	1.2
507.11179	100.0
508.04501	0.8
508.11554	15.2
532.74213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2536
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
57.03322	1.4
58.99098	0.4
59.01266	9.7
60.01602	0.6
61.98717	0.6
69.81506	1.0
69.81915	2.0
71.01274	4.7
72.01603	0.4
73.02831	1.2
74.83749	0.4
78.95796	13.7
83.01266	0.5
83.04907	0.5
85.02839	1.9
87.00769	0.4
87.78082	0.4
89.02340	2.1
89.02853	0.4
90.02628	0.4
95.01278	0.5
95.04913	0.4
96.82161	0.4
97.02859	0.7
97.06487	2.1
98.19775	0.7
99.08027	0.6
101.02359	3.8
106.04158	0.5
106.24602	0.4
111.08064	0.7
113.02349	1.9
113.09643	3.2
115.07558	1.5
119.03416	1.1
125.05993	0.8
126.06769	0.7
129.20767	0.5
135.04527	0.5
139.11179	1.0
140.01120	5.4
141.09135	1.3
151.11226	1.1
152.99542	2.6
161.04457	1.1
163.11247	0.9
165.12810	4.4
167.10716	0.9
167.14391	1.7
181.12299	3.5
183.13809	1.4
193.12300	2.0
195.13864	2.0
196.03851	3.3
197.11835	1.5
209.11852	6.9
210.12173	7.7
211.13445	4.7
213.14937	1.2
214.04890	6.6
221.15390	2.3
229.14403	1.2
230.09705	0.4
235.13539	0.5
239.12904	0.6
240.13710	1.9
241.14294	0.7
247.20772	4.7
248.20969	0.7
253.09219	0.8
254.09595	0.5
263.20242	1.1
265.21771	1.1
273.18640	3.1
274.19095	0.5
281.21158	1.6
282.22089	0.5
289.18094	0.7
291.19745	33.9
292.20084	3.4
309.20792	100.0
310.21136	10.5
342.29456	0.4
367.44681	0.6
429.25027	1.8
505.34055	1.0
506.25388	57.3
506.33813	2.9
507.25790	8.4
507.34628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70062	0.4
59.01267	2.5
62.39468	0.4
63.02292	0.6
65.00188	1.0
70.36764	1.5
71.01271	4.9
73.70358	0.4
83.01274	0.7
85.02841	3.1
87.00752	0.6
95.01267	1.0
99.00765	1.1
103.00272	1.1
107.01305	2.5
108.02084	0.4
113.02347	4.0
123.00783	0.7
124.01598	2.1
136.01614	1.1
139.03899	0.5
147.15439	0.4
151.00311	11.0
151.03906	2.2
152.00989	1.5
154.99573	0.4
157.44022	0.4
161.02405	1.7
163.00357	3.0
164.01120	2.7
169.01421	0.6
175.02371	1.8
178.99814	9.7
179.03325	0.5
183.02866	0.6
193.01402	0.5
204.04214	0.6
214.02750	2.1
215.03499	0.7
223.04671	0.6
227.03459	0.6
232.03789	0.5
242.02315	2.5
243.02965	1.6
244.03755	0.8
245.00934	0.5
255.02782	0.5
257.00998	0.7
259.02533	3.3
260.03241	1.3
268.68387	0.5
270.01801	3.3
271.02521	14.4
272.03070	2.3
273.00314	0.8
281.01004	0.6
287.02057	9.2
288.02594	3.0
291.01636	0.5
298.01172	1.0
313.03464	0.7
315.01611	0.7
316.02304	25.0
317.02600	3.0
323.07852	1.0
331.04666	100.0
332.04999	11.0
345.02637	1.2
345.08411	0.5
385.45712	0.5
416.73691	0.5
507.07928	17.1
507.14795	0.8
508.08725	2.8
532.23865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39690	0.2
55.01770	2.6
57.03336	3.2
58.00483	1.6
59.01266	23.5
61.98720	0.3
67.01759	0.3
68.99725	0.4
69.03349	0.5
71.01273	47.5
71.56069	0.3
72.01620	0.8
72.99197	2.1
73.02837	13.1
75.00769	1.0
78.95798	0.4
81.03374	0.3
83.01279	6.8
84.02059	0.5
84.66973	0.2
85.02846	22.5
86.00000	0.8
86.03201	0.5
87.00769	2.0
89.02339	11.7
95.01288	4.2
96.95895	0.3
97.02864	0.8
99.00787	6.1
101.02351	30.4
102.02689	0.8
105.24258	0.2
108.02071	0.3
111.00789	3.3
113.02358	18.3
114.02713	0.6
119.03427	4.4
121.10150	0.3
125.02373	1.5
129.01859	0.8
131.03430	0.6
137.02388	0.3
140.58902	0.2
141.01823	0.5
143.03444	1.9
143.46353	0.2
149.04546	0.5
149.13298	0.8
157.12292	2.2
159.02940	3.0
161.04510	13.0
162.04785	0.4
171.13896	0.3
176.46713	0.2
179.05545	1.0
191.05606	0.4
192.04745	0.2
205.03595	0.5
209.11821	0.7
210.88167	0.3
256.29468	0.3
283.26645	0.4
291.19858	0.3
319.17593	0.3
343.05014	0.3
343.28604	6.4
343.32809	0.3
344.28973	0.7
456.46347	0.2
475.32999	1.0
487.32971	0.4
503.32477	0.3
505.33981	100.0
506.34280	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	505.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24038	0.4
53.19065	0.4
55.01551	0.5
55.01777	5.6
57.03342	7.3
58.00482	4.7
59.01268	53.0
60.01619	0.7
61.98711	2.0
68.99728	0.4
69.03342	1.0
71.01272	100.0
71.04913	1.6
71.59566	0.9
72.01605	1.4
72.99199	4.2
73.02837	24.1
74.03180	0.4
75.00756	1.7
77.73907	0.4
78.95786	1.3
81.03331	0.7
83.01278	11.8
84.01586	0.6
84.02046	0.6
85.02846	37.1
86.03182	1.1
86.75700	0.4
87.00771	5.7
87.04401	0.9
88.98701	0.4
89.02340	45.2
90.02658	0.6
95.01289	8.3
96.01624	0.5
97.02825	2.3
97.06505	0.9
99.00787	8.7
99.04425	0.7
101.02351	70.0
102.02696	1.4
105.67383	0.4
111.00795	1.1
111.08066	0.5
113.02361	42.7
113.09620	1.1
114.02701	1.3
119.03423	22.1
125.02389	2.8
127.11232	1.3
129.01862	1.2
131.03394	2.8
135.11743	0.6
141.12779	0.5
143.03433	7.5
149.04494	1.6
149.13286	1.3
152.99586	0.5
153.05490	0.7
157.12283	3.2
159.02933	6.8
159.19429	0.5
161.04506	38.6
162.04828	1.5
165.01901	2.2
169.12318	0.7
171.13843	3.4
179.05576	15.1
180.05933	0.7
180.39485	0.5
182.03825	0.6
198.03198	0.7
205.03548	1.4
209.11850	1.7
209.19337	0.5
211.17082	0.6
213.05582	1.0
226.02748	1.8
237.22319	0.6
241.01521	0.5
241.05164	0.8
242.02295	6.3
243.02646	0.6
253.21762	0.5
254.02191	5.3
255.02802	0.9
256.03802	1.6
257.04636	5.7
269.01785	0.7
269.04596	4.9
270.01764	4.7
279.23441	0.6
284.03345	1.0
285.04132	6.1
286.04428	0.9
293.25027	1.7
295.26666	0.6
297.24417	0.7
298.01318	1.8
299.02319	0.5
299.05710	1.9
311.25867	1.6
313.03607	46.9
313.27505	8.1
314.03998	6.2
314.27975	0.6
325.24011	0.7
325.27670	1.6
327.05206	1.1
328.05936	20.2
329.06335	2.7
341.26990	3.1
343.08304	59.0
343.28604	45.8
344.08655	8.6
344.28940	6.5
447.09842	0.6
505.34036	67.8
506.34369	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	506.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.9
55.91180	0.7
56.02895	0.7
57.03334	2.4
58.58952	0.8
59.01268	20.1
60.01600	1.5
61.98726	3.4
69.03347	1.8
71.01276	23.9
71.04922	1.3
71.52648	0.9
72.01610	1.3
72.91148	0.6
72.99207	1.9
73.02840	3.6
78.95797	19.4
80.53310	0.8
81.03333	1.4
83.01286	2.2
83.04943	0.9
85.02835	7.5
86.03181	1.1
87.00763	0.9
87.61791	0.8
89.02337	11.4
90.02673	1.3
95.01315	1.8
95.04939	1.0
97.02863	1.7
97.06512	1.3
99.00775	1.1
101.02356	16.7
109.06477	0.9
113.02358	8.5
119.03447	5.2
122.00050	0.9
123.04472	1.0
123.08065	1.4
125.02360	1.3
125.06052	0.9
125.09644	2.7
125.14280	0.8
127.07626	1.2
135.04417	1.3
137.02446	0.9
137.09700	1.3
140.01109	8.8
141.12849	1.0
143.03447	1.4
152.99617	3.6
156.58739	0.8
159.02942	1.1
161.04527	8.1
162.10414	1.0
163.11270	5.8
165.09192	1.8
165.12819	9.7
166.09911	0.9
167.14369	0.9
171.10168	1.0
177.12775	0.9
179.05585	2.6
179.14354	3.3
181.12326	3.2
189.12817	1.2
193.15968	3.2
196.03815	3.7
207.10185	1.4
209.11861	3.3
214.04900	10.0
223.13368	4.7
247.20718	12.6
248.21021	1.4
273.18634	3.5
291.16333	1.8
291.19742	79.8
292.20065	10.7
309.20804	100.0
310.21173	10.3
343.28616	1.9
344.28949	2.3
345.06601	0.9
447.26331	1.5
505.34039	3.9
506.25363	87.0
506.34082	16.5
507.11578	1.5
507.25726	12.4
507.35178	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	505.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.9
59.01261	1.9
59.53477	0.4
61.98718	3.4
69.03330	0.8
71.01247	0.7
71.25179	1.2
73.93459	0.4
77.20161	0.5
83.04929	1.0
89.61750	0.4
95.04912	0.6
95.13012	0.4
96.95917	1.3
97.06494	2.6
109.06544	0.6
111.08089	1.2
125.09633	0.6
127.11230	0.6
130.48001	0.5
149.09657	0.5
151.11232	17.2
152.11577	1.1
152.99504	0.5
165.12791	2.3
167.10724	0.6
167.14410	0.6
169.12302	100.0
170.12619	5.7
171.10168	0.8
181.12325	2.4
183.13930	0.5
193.16107	0.5
195.10205	1.9
195.13789	0.5
197.11743	1.0
210.31636	0.5
213.11322	71.5
214.11696	4.0
215.12955	0.5
247.20735	2.4
263.20193	0.5
273.18677	0.9
291.19736	25.5
292.20135	3.3
308.22455	0.5
309.20798	68.6
310.21149	7.2
335.25943	2.5
342.35873	0.6
375.59109	0.5
399.32776	0.6
443.31778	3.5
444.32114	0.9
469.29953	1.3
487.30722	8.8
488.31003	1.6
505.31842	42.5
506.32111	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	505.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.9
59.01270	1.3
61.98702	0.4
69.03352	0.7
71.01263	0.3
81.03352	0.5
83.04914	1.0
95.04937	0.8
96.95904	0.3
97.06490	3.4
99.60869	0.2
109.06510	0.6
111.08048	1.6
123.08088	0.4
125.09673	1.1
127.07560	0.5
127.11218	1.1
129.09142	0.4
133.10118	0.5
139.11166	0.3
149.09660	0.5
151.11229	14.0
152.11571	0.7
153.09219	0.5
153.12793	3.1
155.10713	1.0
157.12361	0.3
161.02420	0.3
163.11215	0.3
165.12863	0.6
167.10805	1.6
169.12302	32.9
170.12616	1.6
171.10258	0.6
177.09096	0.2
177.12868	0.3
179.10765	0.6
179.14415	1.7
181.12291	2.4
193.15970	0.6
195.10228	2.4
197.11815	2.2
199.13440	0.9
200.04413	0.2
201.00897	0.3
202.63472	0.2
205.16095	0.2
207.13940	2.3
213.11320	25.3
214.11702	1.7
215.12851	1.2
217.16000	0.4
223.13379	0.3
225.11542	0.3
226.12183	0.5
227.12875	1.2
228.13681	0.7
229.19576	0.3
231.17508	0.3
247.20689	4.1
248.21025	0.3
254.15315	0.3
263.20261	0.9
265.21848	0.5
267.19489	0.3
273.18582	2.0
274.19067	0.3
281.21213	1.6
291.19733	25.0
292.20096	2.8
309.20795	100.0
310.21146	9.8
351.25580	0.5
395.24390	0.2
399.32645	0.6
425.30753	0.6
443.31696	2.5
444.32031	0.3
461.32755	0.4
469.29538	0.7
487.30673	4.6
488.31183	1.0
505.31827	16.3
506.32297	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.9
71.58276	0.7
81.03350	1.8
91.05426	0.6
107.04926	0.6
107.15524	0.6
108.02067	0.9
122.03664	6.7
123.04463	4.2
129.67487	0.6
135.04459	14.7
136.05215	0.9
136.34023	0.6
147.04533	0.7
149.06036	5.0
150.06902	1.2
161.06030	2.4
161.09747	0.5
163.07625	1.2
168.76558	0.5
175.07634	1.3
189.09204	1.0
191.10646	1.4
203.10884	0.6
211.13321	2.4
229.12383	0.8
233.68591	0.5
243.13922	1.1
293.21234	1.3
311.22333	1.7
313.21732	1.0
313.66809	0.6
356.70871	0.6
436.26501	0.7
437.27283	3.7
438.27292	0.8
445.30975	0.8
449.26849	0.8
461.34308	1.3
463.32440	3.1
487.33911	0.6
505.33405	100.0
506.33752	25.3
506.41333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.267
Annotation	Foliasalacioside E3
Peak:m/z	Relative Intensity
55.01778	3.1
57.03338	2.3
58.00480	1.1
59.01268	18.8
60.01590	0.2
61.98722	1.1
62.92403	0.3
63.73551	0.2
69.03355	1.7
70.49483	1.0
71.01274	46.5
72.01609	0.7
72.99202	2.5
73.02840	18.2
74.02379	0.3
74.03184	0.5
75.00776	1.4
81.03355	0.7
83.01284	5.8
84.02109	0.4
85.02849	20.4
85.99978	0.5
86.03191	0.3
87.00768	2.4
89.02345	13.2
94.11497	0.2
95.01295	3.7
95.04944	1.8
96.95905	0.7
97.02863	2.5
99.00787	9.4
99.04459	0.4
99.92439	0.2
101.02350	31.7
102.02679	0.8
103.05271	0.3
108.02090	0.4
109.02093	0.3
109.02849	0.6
111.00802	1.1
111.16924	0.2
111.29704	0.2
113.02361	17.0
114.02717	0.3
115.03920	1.7
119.03416	1.8
121.02853	0.4
123.00828	0.8
125.02375	4.8
129.01860	0.7
131.03479	2.4
132.02168	0.3
133.02882	5.8
135.04474	1.8
137.02374	0.8
137.06020	9.0
138.03127	0.4
138.06409	0.5
139.03868	0.3
143.03459	2.0
143.04469	0.4
145.02864	0.4
149.04504	3.4
151.00369	0.3
151.03937	0.5
152.01151	0.3
153.01781	0.5
159.02945	3.0
161.02414	29.1
161.04471	15.9
162.02782	1.8
162.04904	0.6
165.05586	0.3
167.03435	0.7
175.03929	0.4
177.01932	0.4
179.03461	1.1
179.05652	0.6
180.03922	0.3
181.05037	3.6
189.01939	0.4
191.05603	1.2
205.03526	0.5
211.17062	2.2
233.06686	3.3
250.07390	0.3
293.08853	3.2
323.07782	1.1
343.10464	2.8
355.11938	0.7
373.22400	25.8
374.22708	3.7
417.21320	0.8
505.13782	9.7
505.26672	100.0
506.15292	1.8
506.26965	15.9
533.36194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75405	0.2
55.01765	0.6
55.51195	0.2
57.03325	0.3
57.32565	0.2
58.00487	0.4
58.94666	0.2
59.01267	16.7
60.01591	0.2
61.98711	0.5
62.21332	0.2
69.03330	0.4
71.01275	6.3
71.44441	0.5
72.99187	0.5
73.02845	1.6
78.95791	1.1
83.01280	0.7
85.02855	2.3
87.00771	0.6
89.02338	4.0
91.60861	0.2
95.01284	0.8
99.00786	0.8
101.02355	5.0
105.95993	0.2
108.02075	1.0
109.02874	1.0
111.08089	0.3
113.02361	2.9
118.66090	0.2
119.03411	1.5
125.02358	0.4
129.01721	0.2
133.04958	0.4
143.03447	0.8
152.99524	0.4
153.01945	0.3
159.02870	0.4
161.04529	2.5
165.12794	0.3
179.05612	0.8
181.12314	0.4
187.71317	0.2
197.11801	0.9
207.17552	0.8
209.11830	100.0
210.12169	7.8
211.13345	0.3
214.04686	0.3
223.40225	0.3
235.08260	2.7
251.16588	2.6
253.09338	11.2
254.09769	0.4
291.19696	1.6
309.20856	3.8
331.19040	0.6
343.28650	1.0
359.07782	0.2
445.21106	1.1
480.47501	0.3
505.34030	4.1
506.25418	2.9
506.34198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2587
Annotation	Amoritin
Peak:m/z	Relative Intensity
58.23576	0.3
59.01270	1.5
61.98727	0.5
71.55683	0.3
78.95801	10.4
96.95910	0.3
96.96882	0.7
103.87905	0.2
124.10123	0.3
127.07561	0.3
133.03009	0.3
133.25873	0.2
152.99533	16.4
161.02390	0.5
168.04282	0.2
171.00632	1.8
197.11818	0.3
199.00693	0.3
227.03250	3.0
233.22757	0.4
242.08043	0.3
245.04329	1.6
259.20624	0.5
275.20267	0.6
277.21790	100.0
278.22141	11.0
279.23370	9.6
280.23700	14.4
281.23904	0.8
290.15921	0.3
307.19342	0.3
505.25790	35.2
505.31232	1.9
506.26053	6.3
506.32642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59737	1.2
54.59335	1.3
55.01775	2.3
57.03355	1.3
58.00487	3.5
59.01266	74.2
60.01594	1.1
61.98725	5.2
63.57285	1.2
65.65203	1.3
69.42868	11.4
70.14304	1.2
71.01274	79.2
72.01626	1.8
72.99192	6.6
73.02845	15.3
74.02351	1.6
75.00771	1.7
83.01290	5.8
85.02852	17.1
87.00789	7.3
88.98715	2.7
89.02341	81.3
90.02681	1.9
92.67132	1.2
95.01301	4.7
96.95914	5.2
97.02869	2.0
99.00786	4.6
101.02354	62.0
107.03358	1.1
108.02114	1.5
109.02904	1.5
113.02363	34.3
116.92764	3.5
117.92764	1.3
119.03423	37.0
120.01195	1.5
121.02856	3.1
123.00812	1.5
125.02406	7.8
131.03447	8.6
137.02377	2.8
138.01906	9.0
138.02853	1.5
143.03430	13.9
149.04500	3.8
151.07535	1.3
159.03012	1.4
161.04517	29.5
167.03474	3.2
179.05583	100.0
180.05972	2.4
191.05615	2.1
221.06664	25.8
223.06171	9.6
225.11319	2.3
247.06081	1.6
281.08783	1.8
291.49890	1.4
341.10815	1.7
385.11456	8.5
386.11664	2.2
445.17255	53.5
446.17773	7.9
483.86606	1.3
505.15341	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	505.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.2
58.38416	0.2
59.01187	1.3
69.03294	0.2
69.63106	1.6
71.01196	1.3
71.51295	0.2
73.02761	0.4
73.97183	0.2
74.02299	0.3
85.02762	0.6
89.02282	0.4
93.03275	0.7
93.84595	0.2
96.04366	0.2
101.02232	0.7
108.02021	0.3
109.02856	2.9
111.00507	0.2
113.02252	0.7
119.03357	0.3
119.04836	0.3
121.02872	8.9
122.03675	6.4
123.04464	3.2
124.01479	0.7
135.04456	1.5
136.05133	0.8
137.02353	1.0
139.03909	0.3
145.02863	1.2
147.04341	0.6
148.05148	0.3
149.06003	1.0
154.02565	0.5
160.01526	0.3
161.04576	0.4
161.05986	2.3
163.03989	2.5
163.07425	0.2
165.05428	0.4
173.05948	0.9
176.09735	0.2
177.05406	0.5
181.12617	0.2
183.07596	0.3
189.05446	0.9
190.06319	2.4
191.05502	0.3
191.07106	4.6
197.04361	0.4
203.07025	0.7
204.07318	0.3
205.08607	0.3
221.08444	0.2
223.26468	0.2
227.06741	0.3
240.07962	0.4
261.05490	0.9
283.09714	0.2
299.12900	1.9
307.08313	0.8
313.10901	2.6
314.10989	0.2
325.14301	0.3
327.12369	1.1
328.13235	30.3
329.13562	4.2
343.15588	100.0
344.15921	11.9
402.74948	0.2
435.06317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10882	2.4
52.56093	2.5
52.63118	2.4
52.77449	2.4
53.80545	2.6
55.01777	2.4
56.83944	2.9
57.03348	2.6
58.00459	2.6
59.01263	71.9
61.98701	5.0
68.08662	2.7
69.03342	6.7
70.62557	8.1
71.01272	68.8
72.99197	5.1
73.02820	12.5
75.00754	6.5
78.95805	13.0
81.03350	3.1
82.32110	2.8
83.01297	4.9
83.28683	2.3
85.02832	9.8
87.00761	3.6
89.02343	80.0
91.01786	5.9
93.03349	9.5
95.01261	3.3
96.00802	3.0
96.95917	55.9
96.96851	25.0
97.02861	11.8
98.02412	4.1
99.00761	17.4
99.04370	2.7
101.02359	24.1
103.03941	5.2
113.02341	11.5
113.03490	11.1
115.03928	7.5
118.33276	2.5
119.03436	5.6
120.99519	3.0
121.02872	9.1
125.02383	49.1
131.03433	10.5
137.02377	8.8
143.03418	4.0
149.04515	17.4
151.03958	83.0
152.04265	3.3
161.02414	2.7
161.04463	3.1
163.06015	3.1
191.05609	10.9
233.06697	37.5
249.05914	2.9
293.08844	100.0
294.09192	8.6
343.08862	2.8
374.64267	3.2
407.68359	2.6
505.15045	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00508	0.3
59.01273	4.7
61.98740	0.4
62.01191	0.2
67.88853	0.2
70.86117	0.4
70.86433	0.2
71.01271	3.3
71.01620	0.3
72.99192	0.3
73.02868	0.7
81.20889	0.2
87.77602	0.2
89.02346	3.0
101.02370	1.0
105.01864	0.2
109.02901	0.3
113.02406	0.6
121.02875	0.3
123.04501	0.2
125.02393	0.4
131.03438	0.5
134.03677	0.5
135.04449	2.5
139.45882	0.2
145.02904	4.3
146.03656	0.7
147.04497	0.2
149.04486	0.6
149.06036	0.5
153.01878	0.6
159.04411	1.1
167.03377	0.3
175.04018	0.3
182.02185	0.3
183.04199	0.3
183.06651	0.5
187.03955	0.3
194.05754	0.3
197.04495	0.4
197.06105	0.5
210.03136	0.3
210.06844	0.2
211.04047	0.2
211.07658	1.1
221.06099	0.5
223.07570	0.3
224.04727	0.4
225.05658	0.6
225.09247	0.9
235.07739	0.6
236.08179	0.2
237.05598	0.4
238.06421	1.1
239.07193	3.7
241.05106	0.6
249.05617	0.5
251.07225	0.5
252.04298	0.5
252.07935	0.7
253.05125	1.5
253.08754	3.2
254.09082	0.3
263.07178	1.9
264.07953	1.8
265.05182	0.3
265.08734	2.2
266.05945	1.3
266.09448	0.6
267.06686	17.8
267.10117	0.9
268.07153	2.3
268.09891	0.2
268.10947	0.2
269.04584	1.1
278.09729	0.3
279.06815	0.6
279.10376	1.1
280.07492	8.0
281.08243	16.1
282.08719	1.9
283.09589	0.3
284.10403	0.4
295.09830	15.5
296.10504	6.7
297.07925	0.3
297.11139	0.7
310.08511	1.4
311.09296	1.0
311.12952	1.1
312.10025	0.6
322.08554	0.9
323.09354	2.6
324.09863	0.7
325.07294	3.4
325.10880	0.4
326.07733	0.5
327.12177	0.3
328.09457	0.5
331.04849	1.1
337.10809	0.5
340.09607	39.2
341.09967	4.9
355.11963	100.0
356.12308	13.7
373.22571	0.3
505.17230	1.0
505.26642	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	505.1369
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
56.90930	0.2
57.03330	1.1
59.01266	3.8
61.98724	0.9
65.00214	0.5
67.01779	0.3
69.03318	0.3
69.48205	0.4
69.48603	1.7
71.01273	3.8
72.99200	0.3
73.02845	1.2
73.97453	0.2
75.00786	0.3
78.95786	0.4
81.03353	4.9
83.01273	2.9
85.02828	1.2
87.00772	0.3
89.02351	1.3
93.03345	2.5
95.01267	0.4
95.04915	1.1
96.95915	0.7
97.02866	0.6
99.00780	0.7
99.04444	0.3
101.02343	1.9
107.01296	0.4
108.02051	0.3
109.02855	0.5
111.36417	0.2
113.02359	0.9
119.03489	0.3
119.05019	0.2
121.02883	0.7
123.04443	35.1
124.04777	1.2
125.02373	6.1
126.02676	0.3
130.98582	0.3
131.01288	0.3
132.02133	0.3
133.02850	0.6
134.03650	1.0
135.04457	0.7
137.02382	3.6
137.05986	0.6
139.03911	0.7
149.02376	1.0
149.05949	0.4
151.00354	1.2
151.03958	0.6
160.01604	1.3
161.02419	1.4
161.04546	0.7
162.01910	0.2
163.03967	1.1
165.01848	0.2
166.02654	1.0
167.03456	100.0
168.03781	4.3
175.00365	1.3
175.04004	1.8
179.03500	1.1
179.07095	0.5
179.10739	0.3
181.05034	2.5
181.08606	1.6
191.03485	18.7
191.06993	0.5
192.03853	0.7
193.05090	0.9
205.04987	0.3
209.04538	6.6
209.11792	0.6
210.04816	0.4
221.04576	1.9
227.83961	0.2
233.04611	1.1
235.06102	0.5
242.02264	1.5
270.01773	2.4
271.02371	0.4
273.71988	0.3
285.04166	2.3
289.72452	0.2
295.08374	0.7
298.01169	0.5
313.03625	8.2
314.03903	0.9
323.07770	1.7
328.05923	3.2
329.06323	0.4
337.09467	1.2
343.08325	11.3
343.21213	0.5
344.08533	1.3
373.12891	0.4
373.22318	0.3
386.13373	0.3
415.14102	0.9
427.14005	0.5
445.20285	0.3
504.32831	0.6
505.13669	9.7
505.26541	0.9
505.34241	1.8
506.13507	1.7
506.26166	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	505.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.6
61.98718	1.0
61.99529	0.3
69.37305	2.3
69.37723	0.5
71.01260	2.0
73.02843	0.7
75.00791	0.3
79.02740	0.3
80.02600	0.4
85.02847	1.0
87.00758	0.5
87.53154	0.2
89.02332	0.4
89.43845	0.2
91.01787	0.3
93.03353	0.3
95.01279	0.5
99.99818	0.3
101.02370	0.8
108.02081	34.8
109.02404	0.6
111.00778	0.3
113.02348	0.6
117.03376	0.4
121.02857	0.5
123.00829	1.2
123.04444	15.1
124.04787	0.4
132.02097	10.6
132.03101	0.5
133.02945	3.3
134.03690	10.0
135.04457	3.0
137.02394	1.1
137.06042	0.4
138.03201	0.5
147.04489	0.6
147.55482	0.3
149.06032	2.1
150.03217	0.4
150.38058	0.3
151.00311	0.5
152.01096	77.5
153.01402	2.9
160.01613	40.9
161.02390	9.4
161.04483	0.3
162.02815	0.7
164.30933	0.3
165.01888	1.2
166.02660	2.9
167.03453	100.0
168.00665	0.5
168.03787	4.6
169.64513	0.4
175.03970	43.3
176.04350	2.3
177.01910	0.6
177.05495	0.6
178.02649	0.8
179.03461	2.8
180.04182	0.6
181.05042	2.6
183.06519	0.3
191.07043	0.5
193.05042	9.1
195.06593	0.9
217.05121	0.8
221.04494	1.6
225.07758	0.6
235.06206	0.6
249.07730	0.4
258.93588	0.3
277.07220	0.6
279.08661	0.4
323.07779	13.3
324.08148	1.2
329.02863	0.3
337.09366	56.3
338.09760	5.2
457.15430	0.4
505.13754	8.1
506.13828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03339	1.4
59.01269	11.0
61.98727	2.7
71.01273	14.9
71.55567	0.8
71.55893	0.5
72.99201	1.4
73.02830	5.4
75.00787	1.1
83.01284	2.2
85.02853	7.4
87.00764	1.2
89.02348	5.7
93.03358	1.7
95.01287	1.1
96.95956	1.6
97.02861	0.7
99.00800	4.0
101.02345	9.6
108.02082	34.2
109.02909	0.8
111.00755	0.9
113.02357	6.2
115.03986	0.6
117.03368	0.8
118.85965	0.5
119.03390	0.9
119.04971	0.6
121.02875	1.0
123.00803	0.9
123.04443	17.2
124.04848	0.5
125.02404	2.2
131.03432	1.9
132.02109	8.8
133.02924	2.9
134.03676	12.3
135.04474	2.9
136.01593	0.7
137.02399	2.5
139.04018	0.7
143.03523	0.6
145.02887	2.1
147.04498	0.8
149.02396	0.5
149.04510	1.9
149.06023	1.9
150.03157	0.8
151.00348	0.8
151.03947	1.3
152.01100	71.6
153.01440	2.9
157.74245	0.6
159.02930	0.9
160.01614	40.0
161.02423	9.1
161.04457	4.1
166.02686	3.0
167.03456	100.0
168.03787	4.9
175.03969	47.0
176.04259	2.6
177.01996	0.8
177.05510	0.7
178.02759	0.5
179.03519	3.4
179.05595	0.6
181.05051	2.1
189.05571	0.5
191.05571	1.1
191.07098	0.6
193.05026	9.0
194.05382	0.7
195.06636	0.6
202.02800	0.5
203.07114	1.0
217.05063	1.4
221.04581	1.3
237.60379	0.5
264.09305	0.5
267.06619	1.1
293.08786	0.6
295.06122	1.4
323.07806	12.4
324.08316	0.9
325.10822	1.0
337.09384	59.8
338.09772	5.9
343.04651	0.8
355.12000	3.9
373.22369	8.5
374.22723	1.0
427.09576	0.6
505.13562	6.9
505.26608	27.4
506.13641	1.3
506.26553	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	505.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.7
61.98730	0.3
67.39363	0.2
68.79303	0.2
71.42680	0.4
77.03841	0.2
78.95824	0.5
93.03373	0.2
96.95933	0.3
105.59241	0.2
121.02879	100.0
122.03220	4.2
152.99535	0.9
153.89629	0.2
180.05753	0.7
181.06566	2.8
182.06940	0.3
189.73691	0.2
197.06075	2.9
198.06310	0.2
206.86456	0.2
207.04538	1.1
207.08096	0.4
223.04007	0.4
225.05620	2.5
251.07153	0.4
257.09729	0.6
269.08176	0.2
285.09354	0.3
295.06137	0.3
301.08786	0.3
313.07266	4.4
314.07599	0.4
346.55710	0.2
351.86514	0.2
357.06253	0.9
360.91049	0.2
363.16693	0.2
373.10977	0.4
383.07794	1.3
417.09863	8.4
418.10461	1.3
419.22141	0.3
456.83676	0.2
461.12668	0.4
482.63818	0.2
505.11588	9.4
506.11923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47526	1.1
59.01249	5.9
62.01704	1.0
64.67522	1.2
65.68980	1.4
69.58077	5.4
69.58484	2.1
71.01258	1.7
75.05362	1.2
78.95801	17.2
79.95621	1.6
89.02347	3.7
93.03340	1.6
96.95909	64.7
96.96867	37.5
98.02381	50.6
98.03032	1.5
98.19888	2.2
98.95496	2.9
99.01928	2.2
101.02332	2.1
111.00821	1.2
129.05411	1.1
137.77504	1.3
168.04456	1.5
179.05550	2.2
180.04575	1.7
188.10797	1.8
196.04002	4.9
197.02469	1.3
206.11819	2.2
207.03242	16.6
208.04027	42.0
209.04340	3.4
223.02676	2.1
224.03476	8.5
234.01984	3.9
235.02707	2.5
236.03531	13.9
243.02936	4.2
252.03050	53.2
253.01241	11.2
253.03496	3.0
262.01495	100.0
263.01849	7.3
279.01669	2.4
280.02573	2.1
291.18024	1.2
291.88690	1.4
306.00452	3.6
315.01520	1.4
324.01556	15.4
325.01596	1.4
415.58633	1.1
504.07886	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	504.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.5
69.86583	0.3
71.01272	0.1
78.95797	6.2
80.32452	0.0
81.12369	0.1
83.04920	0.1
89.02243	0.1
92.86308	0.1
96.95948	0.1
96.96858	0.1
97.31867	0.1
152.99538	1.3
157.35556	0.1
166.98026	0.2
168.04279	1.6
171.00618	0.2
199.00642	0.2
224.06924	1.0
227.03331	0.1
242.08015	2.8
243.08382	0.1
258.60681	0.1
261.22296	0.4
277.19510	0.1
277.21805	4.0
279.23352	100.0
280.23691	11.6
291.91757	0.1
341.79602	0.1
357.08884	0.1
437.07434	0.1
504.31091	10.3
505.25647	1.5
505.31628	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2512
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
55.01777	3.4
57.03338	3.7
58.00488	1.0
59.01267	25.7
60.01610	0.2
60.19669	0.2
61.47137	0.2
61.98721	1.9
67.01759	0.2
68.99706	0.4
69.03349	1.9
71.01272	55.4
71.52168	0.2
71.52555	0.3
72.01609	1.0
72.99203	2.3
73.02838	21.2
74.02382	0.3
74.03181	0.5
75.00757	2.1
78.51669	0.2
81.03349	0.8
83.01279	8.7
84.01627	0.2
84.02073	0.3
85.02847	24.4
86.00010	0.7
86.03211	0.5
87.00777	3.5
89.02341	14.6
90.02710	0.3
93.03352	0.2
95.01291	4.0
96.95921	0.5
97.02857	3.4
98.03233	0.2
99.00788	11.8
99.04433	0.5
100.01124	0.2
101.02350	41.5
102.02702	0.9
108.02065	0.3
109.02863	0.5
111.00779	1.3
113.02361	19.3
114.02702	0.6
115.03946	2.2
116.03445	0.5
119.03435	1.8
121.02888	0.2
123.04449	0.4
125.02380	5.1
127.03915	0.4
128.03452	0.3
129.01854	1.0
131.03424	2.8
133.05072	0.2
135.04442	0.7
137.02316	0.2
139.03914	0.2
141.01875	0.3
143.03430	2.3
143.04544	0.7
144.03787	0.2
149.04488	3.7
151.03888	0.2
159.02940	3.6
161.02351	0.5
161.04507	19.4
162.04855	0.7
167.03503	0.2
167.84088	0.2
175.06055	0.3
177.01889	0.3
191.05602	1.8
205.03551	1.0
209.15443	1.7
215.05562	0.3
225.07750	0.2
233.06682	3.7
233.15561	0.2
234.07048	0.3
272.09000	0.3
275.07925	0.3
293.08847	2.8
306.07697	1.3
371.20831	35.0
372.21155	4.3
413.21796	0.3
415.19830	0.3
503.25107	100.0
504.25464	17.5
504.31238	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40615	0.2
52.61070	0.1
53.06111	0.1
54.45454	0.2
57.03336	0.2
59.01263	1.4
67.01773	0.2
69.03337	0.3
70.12617	0.1
70.13110	0.6
71.01260	1.0
72.99165	0.2
73.02839	0.3
78.95801	0.7
81.03358	0.3
83.04903	0.3
85.02849	9.5
86.03191	0.2
87.00780	1.9
88.03925	0.3
89.02345	0.4
93.03374	3.3
96.95935	0.4
96.96867	1.2
99.00790	0.2
99.04421	0.5
101.02350	0.4
109.02876	0.7
111.00834	0.1
111.04424	1.0
113.02318	0.2
118.78722	0.2
123.04443	0.2
125.02331	0.3
127.03930	2.1
146.02434	0.5
151.31691	0.2
153.02013	0.2
160.06091	0.7
161.04561	0.2
171.02948	0.5
173.04541	1.2
175.06070	0.2
179.82866	0.1
191.05595	100.0
192.04253	0.4
192.05931	4.9
200.08751	0.2
221.06667	0.1
248.28615	0.1
282.52878	0.2
420.29224	0.2
503.15939	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	1.1
59.01268	17.9
61.98723	16.1
64.59818	0.8
71.01271	12.6
71.51804	1.2
72.00773	1.3
72.99207	2.1
73.02857	1.7
74.02358	1.2
75.00764	4.9
78.95812	1.9
83.01291	2.1
83.02359	1.0
85.02849	2.5
86.02370	3.0
86.61297	1.2
87.00766	3.3
89.02332	9.2
93.02769	2.3
93.03362	46.6
94.03676	1.2
95.01338	1.3
96.00813	4.4
96.95922	7.7
96.96877	2.9
98.02373	2.6
101.02348	10.6
101.30036	0.9
107.04917	1.0
109.80894	1.1
113.02372	7.6
113.03484	9.8
114.05527	4.1
114.56340	1.0
116.03459	1.5
119.00685	0.9
119.03439	4.0
121.02885	3.4
123.00819	1.1
125.02385	1.9
133.02896	1.1
135.04468	1.0
137.02382	100.0
138.02664	4.8
143.03458	3.7
147.04469	1.1
151.03935	7.6
159.03059	1.1
161.02390	1.4
161.04472	3.2
177.02003	0.9
179.03448	8.2
179.05621	2.7
180.11348	1.0
182.31100	1.0
191.03500	1.1
205.05167	1.2
263.05670	3.4
280.06918	0.9
280.09787	5.0
281.06747	21.9
282.07150	1.5
372.44949	1.1
414.35956	1.0
443.12048	32.3
444.12445	4.6
460.57980	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01270	4.7
60.80281	0.3
61.98722	6.2
67.01788	1.9
69.03362	0.8
71.01273	2.4
71.53849	0.4
72.94622	0.3
73.02823	0.8
78.95778	0.4
83.01279	0.4
83.04909	1.1
85.02847	11.6
87.00777	2.2
89.02349	1.2
93.03367	8.3
95.04889	0.4
97.02837	0.5
97.06483	1.1
99.00766	0.4
99.04425	0.8
101.02345	1.3
108.02084	1.2
109.02887	1.8
111.00803	0.8
111.04429	2.2
113.02355	0.6
119.04956	0.8
125.02366	0.6
125.09654	0.4
127.03944	3.0
137.02368	0.8
139.03978	1.8
141.09122	1.4
141.29012	0.4
149.04543	0.4
152.99448	0.5
153.01743	0.4
155.03455	0.4
171.02963	0.9
171.10231	3.2
173.04535	2.8
175.03909	0.4
177.12859	0.6
183.13911	0.7
191.05594	100.0
192.05956	4.7
209.11699	0.5
211.13422	4.4
221.11823	0.5
229.14456	3.6
291.19620	0.7
292.61319	0.3
327.21844	29.9
328.22177	3.9
340.05045	0.4
357.89822	0.4
501.27164	5.5
502.27493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30548	0.6
52.92392	0.7
56.39802	0.7
57.03333	1.0
59.01266	6.0
61.98716	1.1
69.78780	4.3
73.02853	3.6
78.95808	1.3
79.38670	0.8
81.06945	0.7
83.04984	0.8
85.06481	2.2
96.95907	0.8
97.06469	1.4
98.19752	0.7
99.08067	8.7
100.02185	0.7
101.05975	2.7
110.77035	0.7
113.06001	11.7
115.07566	100.0
116.07923	3.1
123.04420	0.6
129.05464	0.9
135.04440	0.7
143.07082	9.0
152.99507	0.8
159.06561	7.0
167.14232	0.9
183.13925	0.9
195.13908	2.9
213.14957	1.1
245.04590	0.8
271.22809	7.6
293.21478	3.4
311.22348	79.0
312.22675	8.4
334.26517	0.7
380.43570	0.7
423.63916	0.7
499.27399	3.5
510.96622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
57.09941	0.3
59.01271	4.8
60.99208	0.5
61.98723	6.2
67.01771	1.3
69.03333	0.7
71.01274	3.0
71.56149	0.5
72.99173	0.4
73.02830	0.9
78.95798	0.6
81.03344	0.4
83.04920	0.9
85.02844	10.5
86.42175	0.3
87.00771	2.1
89.02338	1.4
93.03364	8.6
93.85991	0.3
95.04906	0.6
97.02854	0.8
97.06490	1.3
99.00797	0.5
99.04432	0.4
99.88074	0.3
101.02353	1.5
108.02119	0.9
109.02870	1.4
111.00768	0.6
111.04418	1.5
113.02370	1.0
119.04937	1.2
127.03948	2.4
133.02800	0.4
137.02397	1.0
139.03935	1.6
141.09169	2.5
149.04454	0.6
152.99472	0.4
157.16702	0.3
161.04460	0.4
163.03879	0.5
165.12839	0.6
171.02904	0.7
171.10265	3.4
172.10597	0.4
173.04530	3.3
175.03879	0.4
177.12808	0.5
183.13889	1.0
191.05594	100.0
192.05923	4.3
193.05115	0.4
193.12296	0.7
209.11963	0.6
211.13414	4.9
221.11823	1.0
229.14468	3.6
230.14790	0.4
239.12903	0.6
286.92120	0.5
291.19623	0.6
314.06400	0.4
327.21851	30.4
328.22156	3.3
336.06717	0.4
337.09418	0.5
451.88571	0.5
501.26865	5.2
502.27554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41778	0.2
57.03339	0.2
59.01263	1.5
61.98721	0.4
66.52895	0.2
67.01766	0.5
69.03353	0.4
70.98176	0.4
71.01272	1.5
71.04920	0.2
71.75975	0.1
73.02834	0.6
81.03366	0.3
83.04926	0.9
84.02065	0.3
85.02843	8.6
86.03174	0.2
87.00780	1.7
93.03361	3.7
97.06477	0.3
99.04397	0.7
99.08076	0.2
101.02378	0.3
103.37399	0.2
109.02892	1.0
111.00838	0.2
111.04435	1.3
112.05206	0.3
113.02321	0.2
113.05896	0.2
115.07559	0.2
123.08089	0.2
125.02370	0.2
125.06022	0.2
125.09637	0.7
127.03934	2.4
127.07567	0.7
127.34998	0.1
135.08093	0.3
137.02429	0.2
139.07599	0.4
141.05554	0.4
141.09158	0.3
143.03383	0.2
143.07100	0.3
148.17717	0.2
153.09152	2.7
155.03525	0.2
155.10681	0.4
163.11206	0.3
165.12823	0.5
165.48026	0.2
168.23105	0.1
171.02934	0.5
171.10225	2.7
173.04523	1.6
183.13797	0.2
185.11792	1.0
191.05585	100.0
192.04263	0.3
192.05927	4.5
197.11824	1.6
198.12054	0.2
209.11823	7.4
210.12270	0.4
211.13422	0.3
227.12888	0.3
229.14432	0.5
238.12112	0.5
245.19154	0.6
254.18497	0.2
255.12242	0.3
256.12982	0.2
273.13498	0.5
279.19769	0.4
281.21292	0.2
289.18127	1.8
307.19220	14.0
308.19574	1.7
325.20279	14.4
326.20630	1.7
358.25250	0.2
463.23718	0.4
481.24753	0.2
499.25385	1.4
500.25757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3286
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
57.03334	2.7
58.62829	1.3
59.01269	2.7
61.98717	2.4
67.01770	2.7
69.95010	1.2
71.58908	1.7
78.95791	8.5
93.03368	2.0
95.01279	2.0
101.85936	1.3
109.02866	10.9
135.04443	2.9
137.02365	8.9
149.06061	4.1
152.99521	12.0
153.99863	2.4
159.44910	1.5
179.07120	3.3
190.68677	1.4
209.39470	1.4
254.51967	1.5
343.22607	1.7
395.29675	2.3
410.24298	2.6
411.33139	2.0
434.24298	1.8
437.30811	3.0
439.28580	8.1
453.34024	2.9
454.34085	1.9
479.31866	2.1
497.32971	100.0
498.33334	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	499.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.8
57.99964	0.1
58.31521	0.1
59.01256	0.5
61.98710	0.4
67.01781	2.0
68.03201	0.1
69.33896	1.2
71.01270	0.2
78.95804	0.7
83.01302	0.2
85.02852	0.9
85.86314	0.1
87.00776	6.3
96.95923	0.1
96.96864	0.3
101.02388	0.2
111.00797	100.0
112.01128	2.7
121.02882	0.6
129.01878	0.3
141.09163	0.3
152.99518	0.3
154.99840	0.5
173.00877	10.3
174.01285	0.4
175.07777	0.1
191.05586	1.0
196.48990	0.1
197.11768	0.2
205.50969	0.1
209.11841	0.2
209.13596	0.1
227.12935	0.2
251.29330	0.1
307.19324	0.4
314.03848	0.1
325.20178	0.4
401.09186	0.2
455.02945	0.4
499.21841	2.2
499.28555	0.3
500.22427	0.4
509.91644	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	499.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.5
57.03329	3.3
59.01263	10.0
61.98713	3.3
65.29186	1.4
67.01749	1.4
69.21784	16.0
71.01278	25.9
72.99208	2.9
73.02850	3.1
75.00777	2.9
78.95762	1.8
83.01291	5.1
83.04938	1.9
85.02848	4.1
87.00784	5.3
89.02367	1.8
95.04197	1.6
96.95927	1.6
98.19805	2.6
99.00782	17.2
99.08025	1.3
101.02377	3.2
103.43443	1.4
111.00805	7.2
111.08039	1.4
112.98723	46.2
112.99516	2.5
113.02391	1.4
115.00302	6.7
123.04457	1.9
124.98762	7.7
125.09617	2.2
127.07547	5.2
127.11224	1.3
129.01863	2.4
139.07547	2.3
141.09129	1.5
142.99808	100.0
143.07016	1.6
144.00148	2.8
145.01389	3.4
152.99496	2.3
153.09149	5.3
153.99002	5.4
171.10204	6.9
173.00891	56.4
174.01299	3.5
175.02446	4.7
185.11771	8.3
191.05531	1.7
191.14499	1.6
197.11809	8.5
198.78120	1.5
209.11810	33.6
289.18146	3.8
307.19217	54.5
308.19577	5.6
309.20984	1.5
325.20297	85.3
326.20596	11.1
337.23898	2.9
499.28055	3.4
501.65393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53755	0.5
51.66821	0.5
57.03336	0.6
59.01255	0.7
59.61895	0.5
61.98712	1.0
68.00709	0.5
71.58807	0.7
73.02837	5.4
75.00770	0.6
81.06997	1.3
84.69184	0.5
85.06486	1.9
85.75330	0.6
86.99210	0.6
94.78680	0.5
97.06504	2.2
99.08065	9.1
101.05998	2.9
108.02072	0.6
113.05995	11.1
114.29928	0.6
115.07571	100.0
116.07916	3.5
121.02885	0.7
125.09655	0.5
129.05519	1.5
143.07082	7.5
159.06593	7.5
161.02417	0.9
177.64255	0.6
181.12314	1.2
187.06160	0.6
207.92149	0.6
211.13445	0.9
247.20590	0.8
269.21353	1.5
273.18637	1.0
291.19730	11.2
292.19885	0.9
309.20804	63.4
310.21127	6.5
347.42087	0.6
348.09665	0.6
423.60721	0.6
497.16470	0.8
497.25177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
57.86516	0.6
59.01269	1.0
61.98709	0.8
71.55656	1.0
73.02835	4.7
78.95789	1.5
81.06987	0.8
85.06482	2.3
95.04907	0.8
97.06507	1.9
99.08044	6.8
101.06011	3.0
108.21281	0.7
113.06006	8.6
113.09669	1.1
115.07565	100.0
116.07915	4.1
116.28342	0.7
125.06056	1.0
129.05524	1.9
131.93187	0.6
143.07077	8.4
152.99538	1.9
158.02069	0.6
159.06567	5.8
160.84203	0.8
165.12857	0.9
181.12294	1.7
193.12349	0.7
195.13821	0.7
208.79202	0.6
211.13344	1.1
221.15370	1.0
236.13034	0.6
240.13663	1.3
241.60107	0.6
245.04350	3.0
247.20691	2.8
267.85486	0.7
273.18854	0.9
281.21268	1.2
291.19745	16.0
292.20123	1.9
298.81049	0.8
309.20792	94.9
310.21155	11.3
497.27560	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	497.2901
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
50.88287	0.7
54.06809	0.6
55.35210	0.6
60.96887	0.6
71.57932	0.7
71.58352	0.7
78.95792	6.9
86.62554	0.6
96.96844	0.8
100.68724	0.5
101.51085	0.7
119.04951	0.9
123.00776	0.9
124.01614	1.0
128.46025	0.6
137.02356	0.8
145.02887	1.2
146.03178	0.5
152.99525	13.9
161.02388	2.0
163.03918	0.8
171.00558	1.7
212.98276	0.5
219.44942	0.7
227.03325	3.2
245.04341	1.4
269.24915	100.0
270.25281	11.5
278.51910	0.7
298.34357	0.6
317.31476	0.6
324.42810	0.6
333.24435	1.1
351.25455	10.5
352.25653	1.3
369.46704	0.6
383.28635	0.6
416.63971	0.7
497.29019	47.6
498.29382	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	497.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99150	0.8
55.01770	3.0
57.03320	1.8
58.00465	0.9
59.01270	40.8
61.79123	0.8
61.98724	5.0
62.01526	0.7
69.03351	1.1
69.28036	3.6
69.28467	5.1
71.01273	31.8
72.01630	1.0
72.99211	2.8
73.02837	13.3
78.95795	5.7
83.01297	8.5
85.02847	16.4
87.00777	1.6
88.98705	3.8
89.02339	10.4
89.23771	0.9
95.01288	3.0
96.95922	1.6
96.96888	1.2
97.02871	2.2
98.19832	1.6
99.00788	6.3
101.02351	31.1
102.26056	0.9
103.03936	1.6
105.86153	1.0
108.51890	0.8
111.00771	1.3
113.02351	9.8
119.03394	1.2
123.00808	2.5
123.04425	1.4
125.02387	4.4
131.03474	1.7
137.02400	1.4
138.03175	0.9
143.03447	1.3
149.04489	3.1
151.00346	1.1
152.99536	6.7
153.05447	1.1
159.02946	2.0
160.95668	2.3
161.01137	3.4
161.04480	7.5
163.06023	1.3
164.45154	0.9
166.70187	0.9
167.03436	1.2
167.10817	1.3
213.54945	0.9
258.07831	1.2
291.18216	47.6
292.18564	4.3
293.08798	7.6
305.19760	2.9
329.06610	5.4
335.18387	1.1
411.58884	0.9
437.24026	100.0
438.24362	11.8
497.18152	2.7
497.26511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38398	0.4
54.50016	0.4
55.01778	3.0
57.03331	2.8
58.00480	0.9
59.01267	44.4
60.01585	0.5
61.98720	2.2
69.03333	0.7
69.37865	4.4
71.01273	32.6
72.01601	0.5
72.99202	3.7
73.02837	16.0
75.00767	1.8
78.95802	0.8
79.60112	0.5
83.01280	12.3
85.02843	18.7
85.99988	1.1
86.03175	0.6
86.16308	0.4
87.00761	1.4
88.98685	0.9
89.02351	4.2
91.42173	0.4
95.01278	2.5
96.95908	1.5
96.96870	0.7
97.02855	1.9
99.00790	6.7
101.02348	37.3
102.02667	1.2
103.03915	1.2
111.00800	0.6
113.02361	13.5
119.03434	0.7
123.00846	2.3
125.02348	3.3
129.01871	0.8
129.12775	0.5
135.08066	1.2
136.05272	0.7
143.03426	2.0
143.04453	0.5
145.04984	0.6
152.10944	0.4
159.02963	3.0
161.01219	0.4
161.04498	10.6
162.01926	1.3
163.06079	0.7
165.09172	0.6
199.13362	0.5
229.07173	1.1
247.08217	0.8
258.07614	0.4
291.18204	56.3
292.18582	4.5
296.41318	0.5
335.18201	0.7
437.24011	100.0
438.24332	14.2
497.19806	0.5
497.31049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84264	0.3
57.03341	1.9
58.00479	0.3
59.01270	0.7
61.98724	1.3
70.64846	0.4
70.65182	0.3
71.01296	0.3
72.99191	0.4
73.02837	4.4
81.03342	0.7
81.06998	0.8
82.97620	0.2
83.04900	0.3
85.06477	1.9
95.04943	0.3
97.06498	1.7
98.20462	0.2
99.08058	6.6
101.06004	1.8
109.02928	0.4
113.05999	9.0
113.09645	0.4
115.07566	100.0
116.07892	3.7
125.02370	12.2
125.05979	1.2
126.02738	0.5
129.05481	0.8
131.82863	0.2
137.02373	0.5
141.09158	0.3
143.05931	0.3
143.07076	7.0
144.07405	0.4
159.06580	5.5
160.06932	0.2
165.12790	1.1
167.14404	0.3
171.98264	0.3
181.12291	1.2
183.13808	0.3
187.06073	0.3
193.12270	0.5
195.13965	0.4
197.19122	0.3
211.13315	1.1
221.15457	0.4
225.22218	0.3
240.13719	0.6
247.20689	1.2
269.21286	2.4
270.21808	0.2
273.18588	1.2
281.21149	0.6
291.19754	10.0
292.19965	1.2
309.20801	63.5
310.21152	7.0
354.99643	0.2
371.22098	0.3
393.24368	0.3
411.25507	0.5
453.26447	0.9
497.18112	0.4
497.25497	8.4
498.26141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
63.96136	0.9
64.96919	0.6
69.03345	0.6
70.77692	0.8
71.01270	6.5
72.99163	0.3
73.02837	1.3
78.98487	4.2
79.95627	9.8
80.96412	50.8
81.03345	0.5
83.01260	0.5
85.02828	2.9
85.25497	0.3
87.00763	2.0
94.97987	12.8
96.95910	0.8
97.02849	1.0
98.19935	0.4
99.00766	0.7
99.04372	0.4
101.02364	1.2
106.97989	2.9
111.00784	0.5
121.02865	1.9
122.97527	2.2
123.00822	0.6
125.02348	1.9
127.03952	0.7
133.26123	0.3
134.97516	3.3
136.99088	0.8
144.12953	0.3
148.99097	4.8
152.97516	0.5
152.98616	3.7
152.99834	0.5
153.05585	1.8
161.04543	0.4
164.98599	8.2
166.99860	0.4
183.02986	1.0
186.31125	0.4
197.04544	4.0
206.99785	1.9
224.98659	0.7
225.00748	9.6
242.04361	1.4
257.06750	3.5
258.07294	0.4
271.08240	0.4
299.04440	3.4
317.05539	17.3
318.05725	1.0
497.09833	100.0
498.10159	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	497.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18980	3.1
57.03359	2.6
59.01262	38.9
61.98712	4.4
71.01270	31.6
71.27392	4.8
72.99192	41.6
73.46124	2.9
75.00775	12.8
78.95827	4.0
81.03411	3.4
84.52970	2.8
85.02852	24.3
87.00754	3.2
88.98722	6.1
89.02343	27.1
90.01875	11.4
91.00266	100.0
96.95930	10.9
96.96873	6.6
99.04436	9.2
101.02336	16.7
113.02346	14.9
119.03395	5.3
123.04456	18.3
125.02394	4.8
125.05984	5.5
135.04449	6.8
137.02379	2.8
139.07581	3.1
141.01892	3.7
141.05486	13.4
149.09671	8.6
153.01941	4.0
153.09225	4.0
155.45122	3.0
161.04507	6.5
165.09113	6.3
167.10710	15.5
179.05571	5.0
455.20163	2.8
484.93018	3.0
490.96637	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	496.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.4
57.97451	1.2
58.02862	4.4
59.01266	8.6
59.59834	0.6
61.98719	5.5
69.03320	0.9
69.93515	0.6
70.02872	6.7
70.36260	0.7
70.89915	1.3
70.90236	0.8
71.01260	4.7
71.35776	0.6
72.00800	1.2
72.04442	6.9
72.99197	2.7
73.02826	2.0
74.02366	15.9
74.98997	0.8
82.10078	0.7
83.01281	1.8
84.04449	1.5
85.02837	3.8
86.02362	4.1
87.00772	1.1
88.03957	0.7
89.02344	1.6
93.03369	0.8
95.01283	2.2
95.04906	0.6
96.95915	1.8
96.99802	2.0
97.03978	2.5
98.02407	1.6
98.06051	0.9
99.05543	10.0
101.02365	2.6
103.86499	0.7
107.01311	0.7
108.02084	8.3
109.02873	18.3
110.00611	1.7
110.03189	0.6
111.00777	1.3
112.03963	1.3
113.02384	1.9
119.04919	1.3
121.02863	1.3
123.00805	2.5
123.01527	1.4
123.04456	1.3
123.05554	2.2
125.02322	1.8
125.03601	1.1
136.02209	0.9
137.02354	1.6
139.00317	2.3
139.11208	4.3
141.06639	35.3
142.06995	0.8
143.03468	1.4
143.04558	10.4
149.06038	0.7
149.07161	1.1
151.00342	1.4
152.01097	0.9
152.23369	0.7
153.01877	8.0
154.02551	2.1
161.04498	0.7
165.05527	1.3
167.03427	3.2
167.04677	0.8
168.00623	1.0
168.04280	3.6
169.01437	1.3
169.04916	2.9
169.12267	0.8
179.07094	1.2
181.12320	2.2
183.06630	1.8
183.10228	8.7
185.05647	18.1
185.07242	1.1
186.05995	0.9
188.14507	0.8
189.01996	0.8
193.05070	1.1
194.10104	2.2
199.13461	0.9
203.12852	1.2
206.11894	0.9
221.12416	1.1
222.09654	4.2
222.13200	1.9
223.13446	0.7
225.11284	1.7
235.06213	1.1
236.11209	0.8
240.10663	11.3
243.12259	0.7
249.14369	1.3
255.03064	7.0
258.14926	0.7
264.14438	2.3
266.12207	5.3
267.12625	0.7
271.02655	0.8
280.02438	0.6
281.06732	1.8
283.02554	16.9
284.03262	3.6
289.02603	1.1
290.12256	2.7
292.13956	0.7
297.05801	0.7
299.05750	5.2
308.13345	11.3
309.13568	2.0
311.07880	2.8
312.08185	4.4
316.02609	1.2
317.02615	1.6
317.13818	0.8
318.02859	2.0
319.03159	2.8
326.14459	5.0
327.14847	1.4
332.04974	2.0
333.05115	2.3
334.05600	4.4
344.61392	0.7
352.12256	1.1
374.50937	0.8
408.19919	0.7
409.14560	1.6
434.17795	3.4
446.08640	2.1
452.18625	7.7
453.19012	0.9
461.11026	18.0
478.16595	3.3
479.17761	0.8
496.17749	100.0
497.20364	34.9
497.28293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2743
Annotation	Ardisenone
Peak:m/z	Relative Intensity
52.26972	0.8
53.68863	0.7
65.47259	0.7
70.28517	3.0
78.95798	35.0
96.96876	1.9
109.47153	0.8
110.68853	0.7
123.14850	1.0
145.02901	1.8
148.56618	0.8
152.99533	52.2
153.99788	0.8
171.00601	15.2
227.03319	2.9
245.04366	100.0
246.04744	3.5
267.23361	55.2
268.23740	5.2
281.24915	1.0
331.77509	0.9
362.95996	0.9
365.86279	1.0
477.26288	1.0
494.33591	2.2
495.27451	51.5
495.33957	6.2
496.27795	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	495.3132
Annotation	Epitaondiol diacetate
Peak:m/z	Relative Intensity
57.03336	2.9
59.01257	0.6
61.98712	0.6
65.03866	2.3
67.01765	1.4
74.06793	0.4
78.95801	0.5
83.04962	0.6
93.03380	0.7
95.01280	2.7
95.04965	0.5
97.02860	1.2
107.03635	0.4
108.02081	1.4
109.02868	13.3
110.03204	0.7
111.04433	0.5
117.03344	1.1
119.04929	0.8
121.02868	1.8
122.03703	2.2
123.04427	1.1
135.04453	3.2
137.02377	11.8
137.06024	1.5
145.02888	4.1
147.04402	1.3
149.06027	3.6
151.03918	0.5
152.99638	0.5
154.36983	0.5
161.06052	1.0
163.04001	0.6
163.07591	0.6
175.07686	0.9
177.09235	0.6
179.07104	5.3
189.09152	0.4
191.10735	0.9
198.05400	0.7
203.10773	0.7
217.00299	0.5
217.12506	0.5
231.13747	0.5
259.17239	0.4
261.15030	0.5
267.19778	0.6
275.16678	0.5
303.19800	0.5
367.22870	0.5
369.20667	0.6
383.22281	1.8
383.26581	0.6
393.28088	2.4
395.26178	1.3
397.23688	0.8
399.29718	0.5
409.27267	0.8
409.31711	0.8
425.23697	0.8
426.24652	0.5
435.29230	1.8
436.29709	0.5
437.27048	7.9
438.27206	1.5
451.32285	2.9
452.32736	0.7
453.30222	1.7
477.30371	2.9
478.30725	0.7
495.31351	100.0
496.31683	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45325	0.4
59.01269	2.6
60.00790	0.6
61.98719	3.0
71.01276	1.9
71.53926	0.8
72.99194	0.8
73.02847	0.5
75.00764	0.7
78.95799	0.9
87.00784	0.6
89.02333	1.1
91.41568	0.5
94.06509	0.7
95.01280	1.0
96.95908	0.8
101.02364	1.4
103.04208	0.6
104.04963	18.9
108.04435	0.7
109.02867	0.5
113.02377	0.6
117.72137	0.5
120.04469	4.5
122.06031	4.2
123.00808	5.3
124.01593	12.1
125.02390	7.3
132.04576	0.5
136.07561	0.4
137.02376	1.1
138.03175	1.3
139.00336	0.8
139.03947	4.1
148.03983	56.1
149.04370	2.1
151.00272	1.2
152.01085	1.7
154.02673	1.5
155.03036	0.6
162.05603	0.9
165.01920	0.5
166.05049	100.0
167.05412	5.2
169.05022	0.8
170.05365	0.5
174.05551	0.9
176.03500	0.8
178.99803	3.3
180.06621	1.7
190.05087	1.6
192.03004	8.1
193.03452	0.6
194.04585	1.6
206.04599	0.6
208.06070	0.8
210.04073	55.0
211.04483	3.4
224.05602	2.2
232.06183	0.5
234.04143	0.8
237.07961	0.4
250.07053	0.7
262.15991	0.5
300.02869	0.6
331.10602	0.5
333.06274	6.2
336.07440	0.5
354.08215	4.1
434.72104	0.5
476.12216	4.7
494.13150	33.3
495.12997	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	495.0794
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
58.02846	3.7
59.01271	10.0
61.98705	2.5
65.00178	2.5
71.01268	6.5
71.02348	3.4
72.99213	2.1
75.00776	5.4
78.95820	5.6
85.02847	1.7
87.00782	2.4
89.02363	5.6
91.00266	1.1
95.01274	3.2
96.95915	38.3
96.96835	7.4
96.99202	1.5
98.28425	1.1
101.02326	4.8
102.01870	12.2
103.03878	1.3
105.01863	1.3
107.01262	4.1
108.02049	3.2
109.02834	1.6
110.00016	8.0
111.00774	3.9
113.02325	2.2
119.03402	1.4
123.00781	3.8
123.04408	2.2
123.82941	1.3
124.01542	4.4
125.02357	4.9
135.00771	2.0
136.01556	2.3
136.98715	2.1
137.02309	2.5
137.99509	2.7
138.03162	1.2
138.05554	1.2
139.00316	11.3
139.03886	3.6
140.00900	1.2
143.03452	1.1
143.04915	2.4
147.86459	1.0
149.02431	1.4
150.03130	1.2
151.00296	12.8
151.03958	2.5
152.01132	8.5
153.01825	3.5
155.03316	1.2
159.04401	1.9
161.02345	2.2
163.00284	3.0
164.01114	2.6
165.01872	3.9
165.99028	9.8
166.05023	2.6
166.99742	4.0
167.03435	7.4
168.00577	2.0
169.01378	1.4
175.03955	2.6
177.01828	3.6
178.99832	11.4
180.00369	2.1
183.02904	2.8
187.03922	4.6
188.04539	1.2
189.01843	4.7
190.02545	1.8
190.99692	1.8
191.03366	1.7
192.00563	2.6
193.98364	1.3
194.99347	3.0
199.04013	1.5
201.01920	1.3
201.06271	1.1
202.02525	1.8
203.03494	7.7
205.01360	2.8
211.06042	2.4
213.01888	3.1
214.02585	1.4
215.03540	6.4
217.01402	3.9
218.02061	1.3
219.02919	3.9
220.03496	1.5
221.00911	1.9
229.01402	2.2
230.02095	4.0
231.02998	6.9
232.03635	3.7
233.04591	1.4
241.01239	1.7
242.02069	2.1
243.03069	9.7
245.00839	1.9
247.02454	2.6
258.01672	4.8
259.02448	9.7
260.03033	2.5
261.04001	1.4
271.02435	8.7
272.02750	1.5
275.02036	2.7
286.01251	6.2
287.02042	39.2
288.02655	9.3
289.03171	3.7
289.12064	5.5
303.01465	5.3
304.02121	4.8
314.00708	1.5
315.01544	60.8
316.01776	7.0
318.03180	1.8
319.03555	2.7
327.07294	3.3
331.00974	2.0
332.01794	81.6
333.02481	25.3
333.10574	3.2
343.06696	2.3
451.09012	3.5
477.06677	3.8
495.07761	100.0
496.08273	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	493.2457
Annotation	Tricalysioside C
Peak:m/z	Relative Intensity
50.17817	0.3
55.01781	0.7
57.03333	0.9
58.00478	0.5
58.76076	0.3
59.01266	6.7
61.98720	2.0
68.99709	0.6
69.03355	0.5
69.35841	0.4
69.36242	2.2
71.01272	8.8
72.99215	0.8
73.02847	3.0
75.00754	0.4
83.01282	2.4
85.02855	4.5
86.00018	0.4
87.00793	0.6
89.02361	1.5
93.03362	23.1
94.03702	0.9
95.01286	2.2
95.95152	0.4
96.95905	0.3
96.99240	1.0
97.02852	0.7
98.19817	0.6
99.00787	1.3
101.02352	7.1
102.02671	0.3
108.02095	1.5
109.02863	0.3
111.00785	0.4
113.02366	3.1
119.03373	0.6
119.04930	0.4
121.02891	2.1
124.01559	0.3
125.02369	1.1
131.04997	0.4
135.04453	0.6
136.01591	3.0
137.02382	56.5
138.02736	2.1
147.04395	0.4
149.02441	0.3
151.00330	0.6
151.03983	0.3
152.99481	0.3
153.01932	0.7
161.04495	1.0
163.04008	0.6
163.79303	0.3
165.05493	0.4
177.05507	0.3
179.03433	0.8
191.03442	0.8
195.02957	0.3
209.08241	0.6
211.17094	0.7
221.04666	1.4
241.70505	0.3
251.16631	0.5
281.06735	1.1
287.02182	0.3
293.10263	0.3
313.23804	0.7
315.01526	0.5
316.02332	0.5
317.03098	0.4
330.03833	0.5
331.12228	0.6
331.24924	1.8
493.24500	100.0
494.24860	18.3
494.30646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3338
Annotation	Auricularine
Peak:m/z	Relative Intensity
55.01784	0.6
56.85513	0.6
59.01246	1.3
61.32939	0.6
69.42996	3.2
69.43429	3.1
76.34111	0.7
78.95786	1.7
81.03339	1.1
89.36162	0.7
91.05461	0.9
102.27327	0.6
105.91683	0.7
122.03677	7.1
123.04475	1.5
135.04460	11.7
136.05290	3.9
137.02438	0.7
149.06017	13.1
150.06502	1.0
152.99545	2.2
162.06808	0.7
163.07603	3.3
164.08289	0.8
191.10716	0.7
205.12254	1.9
217.12334	1.8
273.18704	2.5
274.19257	0.8
287.20135	1.0
323.67825	0.8
355.25955	1.0
381.28226	0.9
424.26318	1.5
425.26978	5.7
437.26514	1.4
437.31628	0.9
449.34424	2.4
451.32327	0.9
476.17584	0.7
493.33353	100.0
494.33676	23.2
512.88873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27726	0.2
59.01268	1.2
61.98720	100.0
67.11231	0.2
69.43236	1.3
69.43638	0.5
71.01274	1.1
72.65944	0.2
73.02809	0.3
77.27168	0.2
83.71132	0.3
85.02867	0.3
89.02352	0.3
101.02377	0.9
109.02892	0.2
113.02374	0.2
118.26534	0.2
119.03440	0.2
125.02386	0.4
153.01921	0.2
158.62865	0.2
160.81807	0.2
161.04532	0.3
169.01440	0.2
227.03511	5.1
228.03969	0.4
229.05161	0.7
255.03047	6.9
256.03702	1.5
257.04651	0.5
282.66360	0.3
284.03329	8.8
285.04062	8.4
286.04514	0.4
289.78229	0.3
305.06738	0.3
317.02695	0.4
331.04691	0.4
332.04913	1.0
415.23553	0.4
431.09949	19.9
432.10309	2.5
433.20721	0.5
434.20999	0.3
493.30630	0.4
494.10599	1.0
495.18900	0.3
495.31763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03320	1.3
58.00471	0.9
59.01266	15.2
60.01590	0.3
61.98706	1.2
68.99677	0.3
69.17590	1.4
69.18012	2.1
71.01273	14.6
72.01601	0.4
72.99202	1.6
73.02832	2.1
74.18837	0.3
74.45420	0.3
75.00765	0.4
81.03349	0.3
83.01268	1.4
85.02837	4.0
87.00767	1.0
89.02341	8.3
93.03376	2.0
95.01273	0.6
97.02828	0.3
98.19750	0.5
99.00775	0.8
101.02361	1.9
108.02084	7.3
109.02920	8.2
110.02507	0.6
110.03178	1.0
111.00762	0.4
111.03297	0.4
111.04459	0.3
113.02350	1.1
117.03301	0.4
119.03410	0.4
119.04987	0.6
120.99570	1.3
121.02875	17.6
122.03679	12.5
122.99049	0.4
123.00816	0.8
123.04480	2.4
124.01594	2.4
125.02394	2.4
129.03395	0.9
131.03416	0.5
132.02098	0.6
133.02853	0.6
133.06557	0.4
134.03654	2.2
135.04475	3.1
136.01601	0.7
136.05260	2.4
137.02394	4.8
138.01866	1.7
138.03056	0.4
139.03845	0.3
145.02892	1.2
146.03650	0.6
147.04472	9.1
148.03976	0.5
148.05222	1.1
149.04555	0.5
149.06023	1.4
150.03130	0.9
151.03918	1.0
152.01100	6.6
153.01567	3.3
153.05504	0.3
154.01566	1.2
154.02742	1.5
154.99847	0.7
159.04362	0.5
160.01602	2.5
160.05232	1.2
161.02393	2.7
161.04666	0.5
161.06030	5.8
162.02249	0.6
162.06798	2.6
163.00352	0.3
163.03976	1.0
164.04732	1.1
165.05528	24.0
166.05966	1.5
167.03432	0.5
168.04236	0.5
169.01385	0.4
170.02142	1.0
173.06046	1.2
174.06819	0.9
175.03935	2.9
175.07591	2.0
176.01064	0.6
176.04449	1.2
176.08395	0.9
177.04292	0.6
177.05740	0.4
178.06218	0.6
179.03476	0.8
179.07103	7.7
189.09160	0.7
190.06343	0.9
191.03441	0.5
191.07162	2.2
192.07845	0.8
193.05019	0.8
193.08665	0.3
205.05124	0.4
206.02133	0.4
209.08075	0.5
221.04668	0.9
223.09692	0.9
231.06650	0.8
236.59186	0.3
243.03288	0.4
259.02545	0.4
271.02719	0.6
281.11755	0.3
283.09778	0.7
285.32404	0.3
285.57489	0.3
287.01859	0.7
297.11441	1.1
298.12189	2.8
299.12799	0.7
307.08188	0.4
311.12961	0.8
313.11108	0.4
313.14529	6.9
314.14825	0.8
315.01566	1.5
315.07318	0.9
315.12415	1.9
316.02283	1.3
316.07520	0.7
316.13110	1.2
317.02832	0.5
317.07901	1.2
328.13184	3.7
329.13931	0.9
330.03915	1.3
331.04742	1.7
331.15787	1.0
332.05026	0.3
343.11414	0.7
343.15573	9.7
344.15942	1.3
346.14285	11.0
347.14682	1.5
361.16660	100.0
362.17014	12.7
433.24744	0.7
449.13782	0.3
493.12817	16.3
493.20923	75.4
494.12976	1.4
494.21262	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	493.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02892	0.8
59.01263	5.6
61.98748	0.7
71.01263	3.9
73.02869	0.8
75.00813	1.6
78.95808	0.8
85.02869	1.1
87.00816	1.0
88.98765	0.5
89.02311	3.0
93.03406	0.8
96.95908	2.8
96.96898	1.1
97.02887	0.5
99.00784	0.6
101.02351	2.4
102.01882	2.5
107.01328	0.7
109.02915	1.6
113.02392	1.4
115.92072	0.5
119.03481	1.0
120.01207	1.1
121.02930	1.9
121.35073	0.5
123.00864	0.9
123.04464	0.8
124.01633	0.8
125.02439	1.9
126.54733	0.5
133.02875	3.7
135.04486	2.5
137.02451	1.8
139.03963	10.7
143.03543	0.6
143.04935	0.6
147.04576	0.7
149.02417	1.2
150.03201	1.0
151.00304	3.8
152.00969	0.6
159.04465	0.6
161.02400	9.6
161.04498	0.6
162.02870	0.7
163.00371	0.7
163.04016	0.7
165.01836	0.8
165.05515	2.8
166.02669	1.0
167.03481	0.9
169.05028	18.2
170.05470	0.7
170.33246	0.6
173.04521	0.6
175.03922	0.7
177.02011	0.7
177.99681	1.3
178.99864	1.4
179.03523	1.6
179.05598	1.2
181.05164	2.0
185.04466	0.6
187.04047	1.6
190.99937	1.0
191.03525	0.7
191.05759	0.8
197.40718	0.6
199.04041	0.9
201.01874	0.6
201.84662	0.6
203.03526	1.9
213.01897	0.9
215.03525	2.9
227.39897	0.5
231.03065	2.0
241.01517	1.6
242.02165	1.4
243.03008	4.1
244.03566	0.9
248.43138	0.5
259.02521	6.5
260.02841	0.6
271.02533	4.1
272.03027	0.7
274.04834	1.1
284.05728	1.6
285.06183	3.0
287.02054	53.4
288.02429	4.8
312.05334	2.4
313.05609	5.2
314.01419	1.4
315.01544	100.0
316.02127	17.3
317.03006	5.0
323.07867	2.4
330.03873	1.9
331.04733	14.6
331.10410	7.4
331.15579	8.4
332.04898	1.7
332.15912	0.8
457.18353	1.1
478.07666	20.9
479.08145	2.5
493.09875	84.7
494.10129	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	493.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43919	0.4
51.87796	0.3
52.45175	0.3
59.01271	2.4
61.01690	0.5
69.37942	3.5
71.01273	2.9
73.02824	0.6
85.02853	1.0
89.02333	1.0
98.19876	0.8
99.00814	0.4
100.75814	0.4
101.02324	0.9
105.03376	0.9
109.02848	1.1
111.00790	0.8
113.02378	1.0
117.03394	1.4
123.00816	0.4
123.04421	0.5
124.01606	0.6
125.02392	1.9
132.02097	2.2
133.02888	36.9
134.03598	1.8
135.04460	13.0
136.04816	0.8
137.02393	1.0
139.00316	13.5
139.03903	0.5
140.01096	2.2
149.05992	0.6
149.99593	0.5
153.01889	1.6
154.01480	0.8
154.02669	12.5
155.03445	4.2
155.67125	0.4
156.37094	0.4
159.04489	0.5
160.01614	0.9
161.02399	100.0
162.02721	5.0
167.03542	0.4
168.00609	1.7
168.04231	0.5
169.05019	6.1
175.03963	1.5
177.05545	1.2
178.99887	0.5
179.03462	7.1
180.03789	0.4
193.05080	0.5
203.03458	1.0
221.04587	1.3
221.86984	0.4
271.02609	0.4
287.02203	0.9
297.10745	0.4
315.01614	1.7
316.02402	0.6
323.07809	10.6
324.08267	1.4
330.03970	2.1
331.07196	1.1
337.09445	1.1
344.12668	0.7
346.13345	0.6
359.15134	1.1
360.15573	1.4
361.15692	3.6
492.20181	0.6
493.13834	72.4
493.20020	6.4
494.03445	0.5
494.14172	12.0
494.20990	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	15.7
64.12229	1.1
70.39235	3.0
71.01274	8.2
71.02320	1.1
72.99196	2.0
75.00758	1.5
85.02869	2.8
89.02354	5.8
101.02362	4.0
112.59093	1.1
113.02331	2.6
119.03429	1.5
143.04976	2.2
147.04422	1.4
169.02951	2.8
171.04460	8.6
183.04457	4.0
185.02385	1.9
186.03188	1.7
187.03972	2.1
197.02399	4.3
198.03168	5.1
199.03993	16.1
201.01918	1.4
209.02402	7.4
210.03157	4.9
211.03868	2.4
213.02007	1.6
214.02731	5.4
215.03564	2.8
225.01933	7.4
226.02734	34.7
227.03502	100.0
228.03966	8.9
236.99681	2.5
237.01952	30.8
238.02563	2.6
239.03455	4.8
241.01506	2.2
241.04994	1.4
242.02274	15.2
243.02834	2.6
251.03572	8.5
253.01479	65.3
254.01888	7.8
255.03040	89.5
256.03482	9.3
257.04733	2.5
267.03049	1.8
269.00977	4.6
269.04593	3.4
270.01767	33.2
271.02106	2.9
279.03061	1.8
281.00986	16.9
282.01697	2.1
283.02420	5.5
285.04141	16.1
286.04327	2.0
295.02505	2.1
299.02042	22.8
300.02448	2.6
313.03616	68.4
314.03882	4.9
341.03113	31.9
342.03488	4.8
371.04297	2.3
401.05225	4.7
433.16797	1.5
461.07361	60.5
462.08044	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	493.0638
Annotation	Myricetin 3-O-glucuronide
Peak:m/z	Relative Intensity
57.03333	0.3
57.60812	0.3
59.01257	1.6
63.02282	3.0
65.00206	4.9
71.01278	1.8
71.36099	0.5
72.99193	0.5
79.05544	0.3
81.03350	0.6
83.01283	4.1
85.02840	1.0
89.02367	0.5
91.01807	0.6
95.01301	0.4
99.00818	0.5
107.01296	11.9
109.02862	9.6
110.03204	0.3
113.02352	0.9
119.01286	0.7
123.00763	0.3
124.01654	0.7
125.02370	3.8
133.52739	0.3
135.00777	0.6
137.02380	26.3
138.02713	1.1
143.04996	0.4
147.04543	0.4
151.00314	42.7
152.00661	1.8
155.03455	0.7
155.04893	0.4
159.04442	0.4
161.02342	0.8
163.00317	4.0
164.01100	0.8
165.01875	2.6
169.01399	2.3
171.04459	0.8
175.03979	0.7
178.99831	27.6
180.00113	1.0
183.04527	0.6
185.02322	0.3
187.03984	0.7
189.01926	0.3
189.05486	0.5
190.99803	0.7
191.03508	0.5
192.00601	1.8
193.01500	1.6
193.03534	1.2
199.04010	1.8
203.03477	1.0
211.91664	0.3
214.02771	0.4
215.03529	1.3
217.05048	0.7
227.03543	3.1
229.01376	0.4
242.02162	0.4
243.03073	3.3
244.03276	0.5
245.04532	0.7
253.01424	0.4
255.03084	0.6
261.04086	1.9
270.01654	0.3
271.02539	7.0
272.03067	0.5
281.00974	0.3
287.01941	1.3
288.02390	0.5
289.03598	1.0
299.02051	3.9
316.02402	1.7
317.03094	100.0
318.03418	8.3
493.06357	22.9
494.06638	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	493.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52682	0.3
59.01265	1.0
65.00219	1.0
68.73238	0.3
69.38481	2.1
69.38906	1.0
71.01277	0.4
101.02374	0.4
107.01291	1.4
120.99583	2.6
124.01601	0.5
125.02380	0.6
125.50315	0.4
133.02863	0.6
135.00821	0.7
135.04391	0.4
143.04961	1.2
145.02983	0.5
151.00304	9.5
151.01517	0.5
151.04016	0.4
152.01022	1.0
159.04500	1.1
161.02382	1.2
163.00331	2.1
169.01422	0.5
171.04475	1.2
173.04308	0.3
175.03949	0.5
178.99818	4.8
183.48302	0.4
187.04005	2.2
191.03493	0.4
199.03989	2.8
201.01974	0.8
203.03491	10.1
204.03931	0.8
213.01869	0.4
214.02696	1.1
215.03503	6.5
216.04039	0.5
217.01474	1.7
219.03036	0.3
227.03502	0.6
230.02277	0.5
231.03044	7.2
232.03430	0.5
239.09337	0.5
241.01414	1.2
242.02319	1.7
243.03035	12.5
244.03535	1.3
245.01073	0.5
258.01752	1.6
259.02533	19.6
260.02817	1.7
269.00983	1.0
270.01703	2.3
271.02530	22.9
272.02805	2.7
285.04077	2.2
286.01318	3.1
286.04221	0.7
287.02039	38.7
288.02423	3.9
298.01114	0.5
301.03503	4.3
302.04407	0.6
303.04889	0.5
315.01541	65.7
316.02112	14.8
317.02795	1.3
329.03021	0.6
330.03867	83.3
331.04587	37.9
332.04953	2.5
373.05682	0.5
493.09976	100.0
494.10376	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	493.1002
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
54.86012	0.3
59.01261	1.2
62.30190	0.4
71.01266	1.5
71.23190	0.4
71.23545	0.6
73.02848	0.5
85.02858	0.4
93.10326	0.3
101.02361	1.1
107.01326	0.4
113.02377	0.4
124.01601	1.7
125.02425	0.6
145.02916	0.4
151.00319	1.6
152.01068	0.8
153.01883	0.9
163.00349	0.7
164.01140	1.6
168.04298	0.4
178.99794	1.3
203.03381	0.5
204.04338	0.4
214.02716	4.4
215.03297	0.6
242.02235	5.1
243.03046	1.8
244.03024	0.5
259.02505	4.3
270.01801	7.3
271.02539	29.5
272.02805	3.6
287.02045	16.0
288.02545	2.7
299.01965	0.4
313.03601	1.8
314.04041	2.4
315.01154	0.9
315.04538	2.7
316.02313	78.0
317.02621	7.5
330.03937	0.8
331.04666	100.0
332.05014	10.4
403.31616	0.4
433.20810	2.6
463.07361	0.5
466.65884	0.4
478.10837	1.7
483.04279	0.4
493.10709	6.7
493.30396	0.9
494.10901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.6
60.10551	0.5
68.21444	0.4
71.01272	1.7
71.61227	0.9
72.99201	1.0
73.02841	0.7
75.00761	8.5
78.95789	1.7
85.02861	0.8
87.00774	19.0
88.01134	0.6
89.02335	1.4
91.04645	0.5
96.96847	0.7
99.00791	2.9
101.02369	1.4
105.01840	19.5
117.01852	0.6
118.02943	0.6
121.78907	0.5
129.01872	1.4
146.02406	1.3
147.02924	3.1
149.04527	2.9
150.04825	1.3
165.03999	100.0
166.01668	0.6
166.04372	4.0
167.03514	0.5
191.05573	3.4
265.57581	0.5
389.52841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.0
59.01268	2.2
60.97697	0.4
61.98726	0.7
69.94981	1.7
71.01266	0.7
75.00770	0.4
78.95800	7.8
93.03355	0.5
96.95903	0.4
98.19954	0.6
113.09640	2.3
121.02888	0.5
139.03911	0.6
140.01115	2.8
152.99518	1.3
171.00648	0.4
171.10158	0.4
177.12872	0.5
179.14410	1.1
195.13901	18.1
196.03819	1.7
196.14238	1.1
214.04881	4.7
221.64671	0.4
251.23820	0.4
275.20395	0.5
277.21802	14.2
278.22150	1.6
295.22867	100.0
296.23221	10.8
331.19235	0.5
479.19086	0.5
492.27484	32.0
493.10306	0.4
493.28052	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	492.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02862	1.5
58.88911	0.8
59.01266	11.6
59.19674	0.7
60.01598	0.7
61.98721	1.8
64.01810	0.7
65.99744	0.8
71.01264	6.1
71.62039	1.2
72.99194	1.2
74.02365	1.4
75.00773	1.0
78.95824	0.8
83.01288	0.9
85.02831	2.2
86.02390	0.9
87.00758	1.3
89.02359	5.4
93.03322	1.0
95.01289	1.0
96.44851	0.7
96.95901	6.1
101.02332	5.1
102.01872	2.0
107.01304	0.9
109.02902	1.0
112.57848	0.8
113.02332	2.2
119.03374	1.6
120.01151	4.5
121.02875	4.4
123.00777	0.8
125.02400	1.2
128.03448	3.0
133.02856	1.6
134.06143	0.7
135.04422	2.4
137.02356	3.0
139.03928	5.0
140.04826	0.9
143.03526	0.9
143.04594	3.1
146.02438	3.7
147.04431	0.7
149.02390	0.7
150.03192	0.9
151.00267	4.6
153.01860	1.0
157.05209	1.1
159.04451	1.2
160.00604	0.8
161.02397	8.2
161.04425	1.1
162.01846	1.2
163.00369	0.9
163.03891	0.8
164.09122	0.8
165.05516	1.2
167.03436	2.4
168.04515	1.2
169.01357	0.9
169.05045	10.7
173.23105	0.8
175.03838	1.0
178.99716	1.2
179.05586	1.6
180.04408	1.2
181.05251	8.2
184.03990	3.0
187.03877	1.1
191.05464	1.3
196.03961	2.2
197.04730	1.6
203.03470	2.5
208.03973	3.0
212.03535	1.7
215.03473	2.6
217.05043	2.5
219.03026	1.3
224.03581	2.0
225.04254	1.5
227.03450	1.5
228.03041	1.6
230.02350	1.0
231.02997	2.4
236.03537	1.2
240.02908	0.9
240.06667	3.0
241.01357	1.1
242.02319	2.2
243.03020	3.0
252.03038	2.8
254.07932	1.1
257.04666	2.1
259.02487	6.4
268.02759	1.1
268.06088	1.4
271.02521	4.0
272.03281	2.3
272.08960	1.4
274.04950	1.0
280.02646	1.3
284.05701	56.8
285.03510	5.3
285.06308	3.0
287.02042	41.3
287.05356	1.6
301.03317	1.1
303.05167	3.0
306.07843	5.3
312.05200	100.0
313.05563	10.3
315.01538	82.2
316.02286	6.2
317.02921	4.6
329.03067	0.9
331.04730	11.6
331.08154	2.2
331.10706	2.2
331.15607	3.8
433.24350	1.3
451.83908	0.8
457.18524	1.5
460.09042	1.6
477.06705	1.8
478.07635	14.0
492.11334	9.0
492.19421	2.0
493.09930	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	491.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	3.3
59.01267	70.4
60.01604	0.7
61.98709	1.6
69.26826	1.1
69.27224	6.1
71.01273	42.9
72.01608	0.9
72.99199	3.6
73.02834	1.1
75.00778	0.8
81.45657	0.7
85.02847	4.2
87.00791	1.4
89.02341	71.9
90.02689	1.2
94.16784	0.8
101.02347	4.2
108.02087	1.6
109.02845	0.8
113.02368	6.6
117.03404	1.0
119.03453	1.5
123.04443	31.3
124.04774	1.6
125.02375	1.9
131.03453	7.0
132.02112	3.1
134.03648	4.9
135.04453	1.2
137.02383	1.1
138.82935	0.8
145.02911	2.9
149.02399	2.2
149.04507	10.3
149.05882	1.5
150.05638	0.8
152.01126	1.5
153.05525	33.9
154.05762	1.8
160.01607	12.8
161.02280	1.3
163.03998	0.9
164.04716	2.4
167.03497	4.4
175.03973	22.0
176.04329	1.4
179.07117	0.8
183.25560	0.7
190.02699	2.3
191.03456	1.4
193.05023	4.8
194.05627	0.8
205.05026	1.7
206.05804	2.9
207.03130	0.9
208.03816	0.7
221.08208	1.7
223.06097	2.7
223.09637	1.4
224.04756	1.8
225.09135	1.0
227.10841	1.4
237.07672	1.0
238.06346	3.6
239.10797	2.8
241.08746	2.6
250.04868	1.5
251.07007	0.7
252.04399	1.2
253.08762	1.2
254.09538	1.5
255.10292	7.6
265.07144	8.3
266.05887	2.4
267.06396	0.8
267.10385	2.1
269.11899	2.6
270.05356	1.2
270.12607	3.1
281.08221	0.7
282.09131	1.6
283.09827	36.9
284.10187	4.6
294.09000	2.8
295.09647	3.6
296.10672	3.6
297.11322	3.5
298.12198	4.2
309.11493	1.1
310.08844	1.5
310.12247	2.8
311.09348	85.1
312.09692	8.7
325.11124	9.1
326.11679	56.0
327.11923	6.4
329.06900	0.8
329.11353	0.9
337.09369	26.1
338.09808	2.3
341.14026	100.0
342.10587	0.9
342.14377	13.0
491.16324	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1937
Annotation	Schizandriside
Peak:m/z	Relative Intensity
54.46408	0.4
55.01775	1.1
55.51896	0.3
57.03344	1.0
58.00478	1.5
58.02859	0.4
59.01270	27.2
60.01621	0.7
61.98715	0.5
69.11199	0.4
69.55302	2.3
69.55717	0.7
71.01276	20.0
72.99187	1.2
73.02849	2.7
75.00781	0.5
83.01279	1.5
84.40820	0.3
85.02850	5.2
87.00779	1.1
89.02340	14.8
91.01788	0.6
93.32745	0.4
96.95931	0.5
99.00770	0.8
101.02360	3.0
102.01878	0.4
108.02079	1.7
109.02868	10.0
110.99395	0.4
113.02363	2.1
123.04434	3.3
131.03416	1.1
133.02931	0.9
135.04477	0.7
137.02354	0.8
145.02966	0.5
149.04512	0.8
153.01881	1.0
159.04471	4.0
160.04955	0.4
161.02449	0.9
162.19673	0.4
167.03513	0.5
168.04222	0.9
172.05267	3.3
173.06033	5.1
179.03586	0.4
183.06488	0.5
187.07660	4.1
189.05598	2.9
190.06299	1.0
191.07132	1.0
201.05539	0.9
202.06265	0.6
203.07144	2.0
205.08641	0.5
217.08658	0.6
224.04892	0.6
225.05342	0.4
240.04309	1.2
241.05109	6.9
242.05493	0.5
253.05063	2.2
253.08902	0.6
255.06667	4.1
256.07214	0.9
265.08868	0.5
266.06088	0.6
267.06619	1.5
268.07468	2.3
269.08188	1.4
278.06046	0.4
279.06644	1.4
280.07452	1.6
281.08258	3.5
282.08868	0.4
283.09793	2.0
295.09836	7.4
296.10602	3.3
297.11160	0.7
298.08627	0.8
299.09286	4.8
300.09900	0.6
301.03702	1.3
309.11374	0.6
310.08533	0.8
311.09366	8.0
311.12823	0.9
312.10056	0.9
313.10919	10.5
314.11267	1.4
323.07791	1.2
325.10968	1.1
326.11691	8.4
327.12195	1.6
329.03088	0.8
329.06906	0.6
329.10428	3.2
341.14017	12.8
342.14346	1.6
343.12021	1.9
344.12714	29.2
345.13077	3.9
359.07785	2.1
359.15091	86.8
360.15433	10.3
431.22998	0.5
476.17111	0.6
491.19366	100.0
492.19708	17.0
492.26965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64291	1.8
55.01790	2.2
57.47686	2.1
59.01268	24.1
61.98673	2.9
71.01272	48.4
71.02045	5.8
72.99199	2.8
73.02847	16.2
75.08749	1.8
83.01280	5.2
83.10861	2.1
85.02845	21.7
87.00796	2.4
89.02352	8.3
95.01334	4.0
96.95911	4.8
97.02849	3.0
99.00810	7.0
99.86253	2.6
101.02352	42.6
105.48064	2.1
113.02354	21.4
119.03465	3.2
120.01170	18.4
125.02351	3.6
131.29080	2.1
143.03409	3.4
159.02986	2.9
161.04507	25.4
179.05663	2.1
191.05678	2.3
198.54692	2.6
204.98181	2.6
239.05258	2.3
265.15796	2.3
269.10345	22.5
270.10703	2.5
431.15680	100.0
432.15897	9.8
491.14658	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	491.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66040	0.3
55.01769	1.3
57.03331	1.5
58.00485	1.9
59.01267	30.1
60.51445	0.4
61.98700	1.8
71.01271	25.3
71.55886	0.3
71.56326	0.7
72.99203	2.1
73.02839	3.0
75.00763	1.1
79.65925	0.4
82.75122	0.4
83.01271	1.4
85.02846	6.4
87.00784	1.6
89.02338	17.1
91.01801	1.0
95.01316	0.7
96.95909	0.6
99.00774	1.2
101.02358	2.6
102.98488	1.0
108.02077	1.5
109.02868	13.9
110.03216	0.4
110.57017	0.3
111.00783	0.4
113.02376	2.1
113.43860	0.3
116.03414	0.5
119.03435	0.6
121.52573	0.3
123.00795	1.5
123.04449	3.7
124.01604	1.0
125.02378	0.6
129.01970	0.4
131.03424	0.8
135.04449	0.6
137.02351	0.8
138.08595	0.4
139.00346	0.4
144.05750	0.7
145.02901	0.9
149.04494	1.3
149.05641	0.3
153.01881	1.2
154.02527	0.5
158.03659	0.6
159.04480	6.4
160.04929	0.4
161.02394	1.6
167.03343	0.4
171.04469	0.9
172.05264	4.4
173.06030	6.5
174.06416	0.5
179.03487	0.5
185.06012	0.7
187.07634	5.9
188.07997	0.6
189.05531	3.5
190.06310	1.3
191.07138	1.8
197.80486	0.5
201.05525	0.7
203.07063	1.9
204.04288	0.7
205.08659	0.6
209.11862	0.5
225.05626	0.8
226.21649	0.4
240.04266	1.4
241.05077	9.3
242.05475	0.9
253.05112	2.2
253.08754	0.8
255.06702	5.7
256.07236	0.7
263.07211	0.9
264.08182	0.5
265.08844	0.4
267.06677	2.0
267.09982	0.5
268.07330	2.6
269.08167	1.6
279.06693	1.8
280.07477	1.8
281.08246	4.8
282.08783	0.6
283.09796	3.0
284.10358	0.5
293.08417	0.9
294.09219	0.4
295.09814	8.2
296.10498	4.9
297.11359	0.7
298.08600	1.2
299.09372	5.6
300.02686	0.6
300.09747	0.8
307.08264	0.5
309.11560	0.6
310.08627	0.7
311.09372	8.0
311.12863	1.3
312.09830	1.4
313.10867	11.6
314.11246	1.3
315.01743	0.4
325.11050	1.0
326.11649	8.8
327.12152	2.5
329.10342	4.0
341.14020	12.9
342.14377	1.7
343.11948	2.8
343.80841	0.4
344.12701	33.6
345.13065	5.1
345.17078	0.5
359.15085	95.7
360.15421	11.3
431.22995	0.7
461.18344	0.7
491.19354	100.0
492.19711	16.5
492.25751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	34.9
61.98716	2.7
69.48310	0.9
71.01285	12.6
71.01963	1.6
71.02301	1.6
72.99217	2.3
73.02856	2.3
75.00768	33.9
78.95839	1.1
85.02855	5.7
87.00766	2.2
87.15379	1.1
88.98695	1.7
89.02316	5.8
96.95909	1.5
96.96909	1.3
97.02829	1.2
99.00800	1.0
99.04446	0.9
101.02350	4.9
105.01843	4.3
109.02853	1.1
110.00003	3.8
111.00783	1.4
113.02369	3.2
117.05492	3.5
119.03445	2.1
120.01181	0.9
125.02368	4.5
132.27531	0.9
137.99481	4.7
139.00307	34.4
140.00673	2.1
143.03413	1.1
149.04468	1.0
151.03877	1.2
153.01881	74.5
154.02670	48.7
155.03059	1.4
161.04480	3.4
167.03447	1.5
168.04236	31.2
169.01364	3.5
169.05026	100.0
170.05324	6.2
179.03586	1.0
179.05544	2.1
180.04124	1.9
187.03999	1.2
195.06656	2.3
203.03494	3.1
203.05589	4.4
227.03580	1.0
230.02249	1.0
231.03088	1.2
238.35846	0.9
242.02350	1.3
243.02869	1.3
257.04663	2.2
259.02515	2.2
271.02539	4.4
285.04123	3.5
286.04852	2.0
287.01990	3.7
298.07040	1.0
313.03790	1.9
313.09372	48.8
314.04382	3.3
314.09808	4.7
315.01572	9.7
329.06702	12.5
331.10452	1.3
373.11337	3.8
491.20523	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.7
57.51662	0.5
59.01033	0.7
59.01268	7.8
61.98726	3.0
69.86532	0.6
71.01276	5.4
71.53822	1.1
72.99198	0.6
73.02844	2.1
75.00760	1.0
83.01306	0.8
85.02854	2.1
89.02335	1.7
95.01248	0.7
96.95927	1.4
101.02366	2.4
109.02864	0.8
113.02372	2.1
117.03385	27.7
118.03729	1.1
119.04942	7.9
121.02866	1.2
123.00804	0.8
123.04440	3.4
125.02400	0.8
129.01956	0.6
137.02367	1.3
145.02892	100.0
146.03275	5.1
151.00333	0.6
153.01878	15.2
154.02406	0.8
159.68768	0.6
161.04498	1.1
161.05890	0.6
163.03941	7.5
168.04248	11.5
169.12299	0.9
175.03983	0.8
183.06566	2.9
187.03918	0.6
193.05119	1.3
200.11766	0.7
214.61626	0.6
223.09729	0.6
229.01453	1.9
238.52689	0.6
257.00952	13.9
258.01254	1.1
269.00961	0.9
269.17676	0.8
270.01843	0.9
272.03345	4.2
281.06638	1.2
285.00464	8.4
286.00778	1.1
299.01883	0.7
300.02817	11.2
301.03104	1.5
307.08316	22.9
308.08676	2.2
311.05832	1.0
313.03699	2.0
315.05270	2.5
328.02310	6.6
329.02975	1.7
329.06808	1.2
329.23605	1.1
343.04666	71.7
344.05005	7.7
358.07025	5.5
359.07626	1.7
459.18552	0.8
476.10010	1.8
491.12347	47.3
491.28275	2.6
492.12622	5.6
492.16452	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	491.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14610	0.3
59.01269	3.4
61.98701	0.6
70.80551	0.8
70.80922	0.7
71.01273	3.0
73.02846	0.5
85.02833	0.8
89.02346	1.1
93.03349	0.5
95.01276	0.7
95.04929	1.3
96.95922	1.9
98.95520	1.0
101.02356	1.4
108.02063	0.7
113.02375	0.8
117.03387	0.4
121.02855	0.6
122.03667	1.2
123.04443	100.0
124.04778	3.6
132.02103	7.3
133.02872	1.1
134.03673	14.0
135.03970	0.8
137.02357	0.7
147.04601	0.4
149.06044	3.2
153.05519	99.2
154.05858	4.8
160.01610	40.5
161.01903	2.7
161.04651	0.4
167.10698	0.9
175.03966	59.1
176.04306	3.9
178.02643	1.1
179.03410	0.6
191.07085	0.8
193.05043	14.7
193.06787	0.9
194.05431	0.6
195.06645	0.6
217.05074	0.7
269.17642	0.9
305.82675	0.4
315.10892	0.9
320.87170	0.4
322.07089	0.6
337.09369	89.0
338.09714	10.0
341.14050	0.4
357.26978	0.4
491.09735	0.5
491.15912	6.4
492.15903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65470	0.8
57.02137	0.7
58.00478	2.0
58.24272	0.8
59.01268	45.4
61.98716	1.4
70.18975	2.2
71.01274	32.2
72.76060	0.8
72.99205	2.0
83.01286	0.8
85.02852	4.5
89.02342	47.2
93.03387	1.0
93.41844	0.7
95.04937	1.3
101.02357	3.3
108.02085	1.1
113.02354	5.3
121.02831	0.9
122.03614	1.0
122.06009	1.0
123.04446	99.3
124.04787	3.2
125.02369	2.1
131.03450	6.0
132.02101	8.1
133.02829	0.8
134.03671	16.4
137.02371	2.2
145.02925	1.8
149.04510	5.9
149.06015	2.8
150.05539	2.8
152.01126	1.0
153.05525	100.0
154.05865	4.3
160.01613	43.7
161.02049	3.0
167.03540	3.9
175.03976	59.4
176.04362	3.1
179.03398	1.1
192.17821	0.9
193.05043	16.0
194.05334	1.2
210.20351	0.8
224.04771	2.0
227.10730	0.8
238.06500	1.6
239.10902	1.6
241.08752	1.7
251.07115	0.9
254.09616	1.0
255.10335	5.3
265.07108	1.4
266.05862	1.3
267.10666	1.0
269.11917	2.0
270.12518	1.7
282.09079	1.3
283.09827	23.5
284.10245	3.0
285.04160	1.9
285.12482	2.0
288.26663	0.8
294.08920	0.9
295.09689	3.1
296.10535	2.9
298.12100	2.9
309.11572	1.0
310.08563	1.3
310.12161	1.5
311.09341	55.3
312.09631	5.7
313.03717	1.4
313.10941	1.4
315.10834	1.8
325.10956	6.0
326.11676	33.1
327.12003	3.5
329.06952	1.5
329.11484	4.2
337.09381	96.2
338.09763	10.9
341.10443	3.3
341.14020	66.6
342.10739	1.5
342.14334	8.5
491.16666	9.3
492.16586	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88478	0.4
59.01263	2.8
61.98708	0.5
64.40318	0.3
71.01273	3.2
71.14185	0.8
73.02859	0.6
79.95658	0.5
81.95243	0.5
83.01292	0.3
85.02842	1.0
89.02340	0.7
93.03378	0.8
95.01321	0.4
95.04944	1.3
96.95918	2.9
98.95507	2.1
101.02328	1.5
108.02070	0.5
109.02893	0.8
113.02361	1.1
117.03378	0.7
117.41257	0.4
121.02873	0.9
122.03675	1.1
123.04442	97.1
124.04766	4.4
125.02380	0.4
132.02098	6.5
133.02870	1.1
134.03667	14.5
135.04376	0.5
137.02365	1.1
149.06038	3.3
153.02098	2.1
153.05519	100.0
154.02734	0.6
154.05850	4.6
160.01608	41.0
161.01942	2.8
163.04051	0.6
175.03966	59.9
176.04298	3.2
177.01936	0.3
178.02667	1.3
179.03450	0.5
191.07089	0.5
193.05035	14.6
194.05370	1.0
217.05087	0.9
232.42972	0.3
235.06203	0.7
243.09065	0.3
257.20874	0.3
259.64288	0.3
277.07275	0.7
283.09753	0.3
311.09488	0.6
315.10840	1.5
322.06955	0.5
330.87814	0.3
337.09366	86.4
338.05923	0.7
338.09753	9.3
341.14182	0.8
471.64639	0.3
491.16147	7.3
492.16644	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1571
Annotation	Decumbeside A
Peak:m/z	Relative Intensity
59.01265	3.9
61.98684	0.8
69.23617	1.9
69.24048	0.9
71.01269	2.5
72.99187	0.4
73.02801	0.6
75.00734	0.6
83.01261	0.3
85.02856	1.3
85.03648	0.3
87.00713	0.3
89.02319	0.7
95.01295	0.4
96.95879	0.4
97.02824	0.3
101.02329	1.5
109.02847	0.5
111.00709	0.3
113.02357	1.1
117.03382	28.9
118.03693	1.2
119.04949	8.2
120.05266	0.4
121.02863	0.6
123.00808	1.6
123.04420	0.4
125.02370	0.4
134.03679	0.6
137.02367	0.3
137.99524	0.6
138.03163	0.5
145.02893	100.0
146.03226	5.3
146.04295	0.3
153.01877	12.3
154.02231	0.4
159.04489	0.3
161.04555	0.7
161.06036	0.4
163.03955	6.5
168.04234	10.9
169.04689	0.6
175.04030	0.5
179.07246	0.3
183.06631	2.9
187.03992	0.6
193.05112	0.9
205.05090	0.3
209.11752	0.3
257.01022	2.1
257.13434	0.3
269.17697	0.6
272.03476	0.7
285.00650	1.8
299.02271	0.5
300.02789	2.0
300.19949	0.3
301.03430	0.3
307.08307	19.0
308.08649	1.9
311.05966	0.8
313.03860	0.8
314.04953	0.3
315.05304	0.3
328.02612	1.1
328.10245	0.3
329.06891	0.3
329.10696	0.3
329.23801	0.3
343.04672	9.1
344.05371	0.9
358.07233	0.6
374.65369	0.3
385.37897	0.3
454.06964	0.3
459.19083	0.4
476.10162	0.3
491.16364	24.1
491.29480	0.7
492.16513	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	491.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36744	1.2
59.01262	2.7
64.55534	1.2
67.89459	1.3
71.52042	2.5
74.11414	1.3
81.03356	5.7
83.01292	4.0
93.03376	1.8
95.04932	6.1
96.95913	1.6
99.04420	3.2
123.04450	6.6
125.02362	11.2
132.23180	1.3
137.06003	10.0
149.02338	1.7
153.05293	1.2
165.01891	1.3
165.05537	3.6
167.03456	27.3
179.03453	3.7
181.05032	3.8
191.03511	8.1
191.05516	2.2
205.05022	2.7
209.04552	100.0
210.04912	7.8
221.04665	2.2
227.09346	1.5
233.04578	19.2
234.04875	1.7
239.05798	3.4
251.05705	3.8
263.05612	2.4
275.17828	1.3
371.09918	82.1
372.10254	8.6
401.10770	1.6
491.14233	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	491.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
58.99482	0.4
59.01263	3.8
61.41849	0.3
61.98710	0.8
69.03359	0.5
69.55449	2.3
71.01276	3.6
73.02832	1.3
75.00774	0.5
81.03355	0.7
83.01276	0.9
85.02843	2.6
87.00766	0.5
89.02325	1.3
93.03378	0.6
95.01276	1.5
97.02821	0.3
99.00776	0.6
101.02355	2.9
102.98515	1.7
108.02080	47.8
109.02890	19.5
109.03974	0.4
110.03203	0.9
113.02361	1.8
117.03369	0.7
118.46677	0.3
119.04932	0.5
120.99573	36.2
121.02858	2.4
121.99890	0.4
122.03673	0.3
123.00797	1.2
123.04443	2.0
124.01612	0.6
125.02377	0.9
131.03687	0.5
132.02097	5.4
133.02901	4.2
134.03667	6.6
135.00804	1.8
135.04483	2.3
136.01605	0.3
137.02379	1.1
138.03183	1.3
139.03940	0.4
145.02898	3.1
146.03282	0.4
147.04472	0.5
149.02411	0.3
149.06041	0.6
151.03964	0.6
152.01094	64.8
153.01897	18.1
153.05478	0.6
154.02184	0.8
160.01608	26.0
161.02400	17.4
161.04561	0.9
162.02817	0.6
163.03998	1.3
165.01929	0.7
167.03407	1.5
168.04233	1.5
175.03966	23.8
176.04343	1.4
177.01894	0.6
177.05498	0.3
178.02689	0.7
179.03470	2.4
183.06618	1.9
187.00281	0.4
190.02693	1.0
193.05023	3.6
203.03517	0.4
205.05020	1.1
209.08253	0.5
211.04001	0.4
221.04527	0.7
228.04285	0.5
238.12506	0.3
242.05968	0.4
243.06604	1.2
257.01089	0.3
269.10385	0.7
269.13284	0.3
271.02890	0.5
271.06116	0.3
283.05014	2.2
285.00272	0.3
300.02808	0.3
307.08273	2.4
315.07312	16.0
316.07538	1.2
323.07767	3.0
324.07834	0.3
329.02966	0.5
337.09454	1.1
367.10477	0.6
431.23022	1.2
447.12833	1.7
459.09293	1.1
491.12057	100.0
492.12405	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	491.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
58.00476	2.3
59.01265	35.3
61.98715	8.1
70.56781	2.1
71.01273	25.2
71.01664	1.4
71.23249	0.5
72.99190	2.1
75.00723	0.8
79.05569	0.6
83.01294	0.6
85.02843	2.7
87.00774	0.7
89.02341	37.0
90.02694	1.0
91.60615	0.5
101.02363	3.5
108.02041	0.8
113.02362	4.9
114.87040	0.6
125.02328	1.3
131.03438	4.4
132.02110	0.6
133.02766	0.8
134.03697	0.7
135.00751	0.8
135.04419	1.5
145.02855	1.6
147.21680	0.5
149.02391	0.8
149.04474	5.3
151.00311	2.6
153.01799	1.0
160.01628	4.0
161.02386	4.0
167.03386	2.0
175.03929	3.5
176.04497	0.9
179.03445	0.8
180.07768	0.8
190.02692	0.6
191.03227	0.6
193.04942	0.9
199.04041	0.9
201.01886	0.6
202.02654	1.9
203.03328	1.2
205.05087	0.9
213.01849	2.2
214.02657	1.5
215.03424	0.7
224.04730	1.6
227.03528	0.8
229.01367	0.9
230.02206	6.5
238.06363	1.6
239.10768	0.9
241.01418	9.8
241.08661	1.3
242.02216	24.4
243.02979	5.3
255.10330	4.2
257.01016	2.9
257.04449	0.9
258.01740	22.6
259.02350	3.0
265.07224	0.9
266.05893	1.6
267.06494	0.7
269.00977	3.3
269.11929	1.2
270.01727	11.0
270.12604	1.8
271.02332	4.5
272.03247	4.4
273.04099	30.0
274.01178	1.6
274.04480	3.1
281.08154	0.9
283.09836	17.2
284.10165	1.9
285.04047	1.6
286.01254	17.0
287.01898	5.8
287.05594	8.3
288.02405	0.8
294.08969	1.2
295.09689	2.3
296.10556	1.4
297.11380	1.2
298.01224	2.0
298.12030	2.2
299.01920	1.6
300.02884	0.7
301.03601	27.0
302.03860	2.1
309.11322	0.9
310.08798	0.7
310.12079	1.3
311.09329	46.0
312.09698	4.6
314.00739	1.6
315.01456	11.4
315.05096	4.3
316.02130	0.9
316.05884	9.3
317.06223	0.9
323.07776	0.7
325.10934	4.6
326.11655	28.1
327.12027	3.2
329.03085	36.1
330.03815	15.1
331.04193	1.2
341.14014	49.8
342.10837	0.9
342.14398	5.8
344.05429	55.0
345.06195	57.3
346.06500	5.3
367.10339	0.6
381.06213	0.6
387.07349	1.0
431.22656	1.1
443.61813	0.5
467.79697	0.7
491.11929	100.0
492.12265	16.8
516.93671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20953	0.2
51.72736	0.2
54.06598	0.2
61.98716	0.3
69.62182	1.8
69.68673	0.2
96.79279	0.3
97.51607	0.2
145.02957	0.2
151.00339	0.9
152.80373	0.2
154.11771	0.2
163.00278	0.4
170.03711	0.3
172.01630	0.3
177.79048	0.2
186.03127	0.4
189.87578	0.2
198.03217	0.6
199.04054	0.4
214.02693	2.8
214.12842	0.2
215.03275	0.4
218.02034	0.3
226.02730	0.7
227.03482	0.9
233.37096	0.2
241.01465	2.6
242.02231	17.8
243.02859	2.2
245.00954	5.4
246.01451	0.4
254.02292	0.7
255.03004	1.7
256.03488	0.4
257.04651	0.4
270.01767	28.1
271.02396	6.5
273.00461	0.6
282.01788	0.6
285.04123	7.6
286.04504	0.8
292.68918	0.3
298.01276	7.9
299.02017	8.5
300.02368	0.7
312.02832	1.1
313.03616	100.0
314.04019	11.2
317.25946	0.2
328.06024	0.8
329.02759	0.5
329.06717	10.3
330.07053	0.8
341.03302	0.3
371.07858	0.3
461.07376	5.8
462.07690	0.9
476.09726	23.7
477.10077	3.1
491.12076	76.1
492.12405	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24271	0.2
62.70773	0.2
63.02314	0.2
65.00239	0.3
70.17423	0.7
73.68144	0.1
98.19806	0.2
121.65439	0.2
133.02940	0.2
145.06248	0.2
151.00316	0.5
165.01956	0.3
175.03967	0.2
185.65666	0.2
199.03941	0.7
203.03429	0.2
215.03500	0.4
227.03561	1.0
242.02257	0.3
243.03067	1.6
255.03033	0.3
269.04712	0.9
270.01718	0.3
271.02545	27.5
272.02847	2.9
285.04077	1.7
286.04559	0.4
299.02051	63.9
300.02377	5.6
313.03516	0.5
314.04413	71.9
315.04745	7.3
329.06757	100.0
330.07095	10.8
330.11255	0.3
345.06284	0.2
432.62503	0.2
491.12073	1.3
492.11890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11802	0.2
70.01470	0.8
70.01878	0.6
76.80378	0.3
151.00323	0.4
165.01878	1.2
182.03639	0.4
198.03339	0.4
199.03957	0.7
213.05452	0.3
215.03398	0.6
226.02711	1.1
227.03497	1.1
241.05022	0.5
242.02220	2.3
243.03102	1.7
245.64163	0.3
254.02263	2.0
255.02983	0.7
257.04620	2.2
269.04587	2.9
270.01785	1.6
270.04672	0.4
271.02548	28.2
272.02896	2.3
285.04105	3.2
286.04700	0.5
298.01379	0.4
299.02048	71.1
300.02368	6.9
313.03598	9.3
314.04407	100.0
315.04733	10.3
328.05951	0.6
329.06744	98.6
330.07086	11.7
374.44702	0.3
412.09018	0.3
476.10056	1.4
491.12082	37.6
492.12421	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	491.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	6.9
61.98718	1.1
65.00228	0.4
69.35463	4.2
71.01273	6.3
72.99195	0.5
73.02821	1.1
75.00792	0.8
83.01265	0.5
85.02399	0.4
85.02834	2.1
85.05489	0.4
85.25868	0.4
87.00777	1.0
89.02329	3.3
95.01266	0.6
96.95926	1.0
98.19818	0.9
101.02357	1.6
101.62012	0.4
108.02081	18.6
109.02905	4.0
113.02379	1.6
117.03381	0.8
121.02895	0.5
123.00790	0.5
123.04441	9.8
124.04782	0.4
132.02057	0.7
133.02884	27.5
134.03615	1.4
135.04454	32.8
136.04785	1.6
137.02382	1.1
139.03906	0.8
147.04408	0.5
149.02502	0.4
149.06023	1.6
150.03079	0.5
152.01099	37.1
153.01587	2.0
159.04439	1.1
160.01636	0.6
161.02396	100.0
162.02750	5.5
163.04016	0.6
167.03453	39.5
168.03802	1.6
172.05135	0.8
173.05986	1.2
175.03937	1.8
177.01877	1.0
177.05515	5.6
178.02669	0.5
179.03462	24.8
180.03822	1.0
187.07654	0.9
189.05574	1.2
190.06329	0.6
191.07124	0.7
203.03514	2.1
219.02953	0.5
220.03789	1.4
221.04575	7.6
222.04915	0.6
225.06624	1.2
230.02081	0.5
233.04477	0.5
241.04990	1.5
247.09697	0.4
251.05769	0.6
251.09180	0.5
253.01349	1.2
255.06581	0.8
257.00946	1.2
263.05692	1.3
268.07541	0.5
280.05862	1.0
285.00607	0.6
285.04202	0.5
295.09827	1.2
296.10303	0.5
299.09311	0.8
301.03497	0.5
305.06625	0.5
311.09473	1.1
313.10898	1.3
323.07785	98.7
324.08154	9.4
326.11719	1.3
328.02145	0.5
329.03140	2.1
329.10522	0.7
341.14066	1.7
344.12659	3.8
345.13068	0.8
359.10635	1.0
359.15088	15.7
360.15421	1.6
447.13104	0.9
491.12006	43.5
491.19293	14.5
492.12286	6.9
492.19592	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88452	0.3
59.01265	3.7
60.79823	0.4
61.98712	1.1
68.26972	0.4
70.41136	1.2
70.41527	0.6
71.01270	3.6
73.02831	1.2
75.00764	0.7
81.03352	1.1
83.01262	0.8
85.02856	2.5
87.00770	0.4
87.43223	0.3
89.02355	1.0
91.01772	0.4
93.03386	0.9
95.01294	1.5
96.95902	0.4
97.02835	0.6
99.00790	0.7
101.02358	2.6
107.01266	0.6
108.02080	48.4
109.02882	20.5
110.03210	0.7
113.02357	1.7
117.03404	1.8
119.03429	0.4
119.04951	1.3
120.99573	100.0
121.02888	3.9
121.99898	1.4
123.00800	1.6
123.04428	3.0
124.01585	0.4
125.02332	0.8
132.02094	5.6
132.16034	0.4
133.02893	4.8
134.03691	5.6
135.00783	1.8
135.04449	3.0
137.02383	1.5
137.06004	0.5
138.03174	3.3
145.01801	0.8
145.02887	8.3
146.03235	0.8
149.02364	0.5
149.06023	1.5
151.03961	0.7
152.01096	59.2
153.01884	18.4
153.05486	1.1
154.02229	1.0
160.01610	25.3
161.02396	17.4
161.04501	0.8
162.02817	0.9
163.03946	2.7
164.04617	0.4
165.01920	0.9
167.03413	1.9
168.04236	4.2
175.00407	0.7
175.03964	21.2
176.04364	1.6
177.01932	1.0
178.02681	0.6
179.03481	2.3
181.05009	0.5
183.06610	5.7
190.02675	2.1
193.05032	3.2
203.03357	0.4
205.05060	2.6
219.06647	0.4
221.04588	0.7
225.04022	0.5
228.04077	0.5
243.06645	0.8
258.98233	0.4
269.17728	0.6
270.01837	0.5
283.04880	0.8
307.08331	5.4
308.08725	0.7
315.04041	0.8
315.07364	13.6
316.07611	1.1
323.07855	3.4
329.03131	0.6
337.09201	1.2
367.10406	1.2
431.23123	1.0
447.12933	1.4
459.09695	0.9
476.09741	0.5
491.12018	89.4
492.12366	14.6
508.07550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
71.01271	75.0
71.33295	10.3
71.33654	9.9
81.45853	7.0
85.02856	13.3
89.02334	86.9
96.95914	22.5
101.02364	36.5
113.02370	41.3
118.02840	10.2
119.03408	35.0
146.02411	51.0
147.02791	11.2
160.06488	7.0
161.04480	18.2
162.01884	18.3
163.02322	12.5
164.03473	10.3
179.05602	65.2
225.50140	7.6
242.28313	8.0
280.44760	7.2
475.41287	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	490.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	4.4
59.01265	3.4
61.98732	3.2
65.06364	0.3
71.01254	0.6
71.32905	0.6
78.95799	8.2
87.00423	0.3
87.86451	0.3
90.82439	0.3
94.22450	0.3
96.95911	0.8
97.06509	0.9
108.13708	0.3
109.06538	0.7
113.09637	18.8
114.09975	1.0
115.00254	0.4
131.09448	0.4
139.11230	1.3
140.01128	3.0
145.63605	0.3
149.09702	0.7
152.99516	1.5
161.02362	0.4
167.10718	2.2
177.12790	1.1
179.10716	3.0
179.39540	0.3
195.13934	2.7
195.17484	0.5
196.03761	1.7
214.04875	4.8
249.22363	3.2
275.20148	0.5
293.21313	100.0
294.21649	11.5
311.11795	0.4
315.19424	0.4
316.19797	1.2
490.25909	22.9
491.26300	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	491.0845
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
55.01797	0.3
57.03371	0.9
57.34272	0.2
59.01265	6.7
59.49307	0.2
61.98755	0.4
63.02318	0.4
65.00240	0.3
68.99744	0.5
69.60366	0.6
69.60773	1.3
71.01273	7.7
72.99194	1.1
73.02867	0.6
73.92315	0.2
75.00771	2.6
83.01324	0.9
85.02848	9.0
85.11406	0.2
87.00771	1.7
89.02328	1.3
95.01295	2.7
95.01824	0.2
99.00785	3.6
101.02387	0.7
103.00284	1.4
107.01347	0.9
108.02140	1.0
111.00826	0.5
113.02364	14.3
113.54176	0.2
114.02762	0.5
115.00338	1.0
117.01856	1.2
117.03448	0.4
119.04961	0.3
120.02130	0.3
120.99611	0.3
121.02888	0.3
123.00800	0.5
123.04498	0.3
124.01630	0.7
129.01892	0.9
135.00874	0.4
137.02438	0.5
138.03215	0.3
139.00362	0.3
145.02896	2.9
148.01685	1.0
151.00322	2.7
153.01955	0.6
159.04436	0.3
161.02451	0.5
161.04681	0.3
163.00316	1.1
163.03978	0.4
164.01122	0.7
167.03416	0.3
168.00720	0.3
168.04236	0.7
173.06044	0.2
174.03293	0.3
175.02449	3.4
175.03938	0.3
176.02638	0.2
183.02989	0.4
184.05275	0.3
192.00475	0.3
199.04016	0.8
200.04781	0.7
201.51495	0.2
202.02649	0.3
211.04060	0.4
215.03526	0.6
216.04332	0.6
219.06584	0.4
226.02756	0.8
226.52725	0.2
227.03410	1.6
228.04294	0.5
239.03328	0.2
241.05095	0.3
243.03008	8.8
244.03700	2.0
254.02275	1.2
255.03029	13.6
256.03436	2.1
259.06168	0.9
271.02542	29.7
272.03159	5.8
287.05630	1.5
295.09991	0.5
299.02090	0.8
299.09573	0.4
300.02826	38.7
301.03207	4.3
307.08246	1.2
311.09470	0.3
315.05179	100.0
316.05518	10.2
329.03180	0.4
329.13959	0.3
341.14163	0.3
344.12680	0.7
359.15128	3.3
360.15637	0.4
491.08389	3.3
491.19067	3.8
491.25690	0.4
492.08844	0.5
492.19611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42498	1.0
55.01754	1.9
57.03329	2.2
58.02852	1.3
59.01268	100.0
61.98716	3.7
62.04179	1.0
68.01299	1.5
69.69652	3.1
69.70076	3.9
71.01272	30.1
72.99198	3.2
73.02847	6.4
75.00765	2.4
78.95794	15.8
79.95618	1.0
83.01266	2.2
85.02848	7.7
87.00757	4.1
89.02339	24.3
93.21813	1.1
94.02890	4.1
95.01309	1.5
96.95908	45.7
96.96864	36.6
97.02871	2.5
98.02381	74.4
98.95496	4.3
98.96373	1.1
99.00812	7.2
99.01904	10.5
99.02700	2.8
99.04356	1.0
101.02350	19.1
102.01866	2.2
109.02833	2.2
110.02399	3.0
111.00788	1.8
113.02353	14.4
116.92764	1.6
119.03420	8.4
120.01138	3.7
122.02389	1.1
125.02368	2.5
131.03424	2.2
134.02417	3.0
136.03981	2.5
137.02448	1.0
139.07614	2.9
140.03485	1.5
141.01877	1.2
143.03430	4.2
143.04443	1.0
146.02379	2.1
149.04517	2.6
152.03473	2.9
153.69800	1.0
156.93336	1.0
157.24495	1.0
159.02904	2.9
161.04498	16.0
164.03438	5.3
179.05554	13.9
182.04556	2.6
191.85361	1.1
197.86481	1.0
216.48494	1.0
225.14963	1.5
230.15257	1.2
248.16602	2.2
266.17599	4.1
273.27682	1.1
374.19818	1.3
387.20520	5.1
428.22845	10.9
429.23093	1.4
488.25278	2.7
489.20041	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	490.158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03909	4.3
59.01270	100.0
69.60103	27.0
71.01270	67.1
72.99216	4.4
79.12994	3.9
85.02827	9.6
87.08509	3.5
89.02341	84.9
95.01265	6.4
96.22882	3.1
96.95950	4.9
101.02347	37.5
113.02370	24.4
118.02910	8.3
119.03391	32.2
131.03410	7.5
134.02431	8.3
134.21292	4.0
135.93387	3.5
143.03403	7.4
146.02403	42.5
147.02751	9.0
161.04518	10.5
162.01933	17.7
163.02271	9.6
164.03487	6.0
164.11197	3.8
179.04102	6.6
179.05585	87.0
284.05899	4.1
390.82504	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	488.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74537	0.4
59.01273	2.8
69.40837	0.8
69.41163	4.3
70.02901	0.4
71.01278	2.0
72.99210	0.7
74.02366	1.4
75.00758	0.9
78.95800	1.2
82.02899	0.6
84.04433	1.0
85.02842	3.8
87.00790	1.2
89.02350	1.3
93.03362	0.9
96.95936	1.1
96.96876	1.8
98.20596	0.9
101.02353	1.0
102.05516	32.1
103.05862	0.6
103.91927	0.7
109.03985	0.6
111.00781	0.7
111.04416	0.8
112.58220	0.4
116.03426	0.6
118.02890	0.6
127.04041	0.7
127.05065	1.8
128.03465	27.7
129.01830	0.6
129.03864	0.7
145.01460	0.5
145.06131	13.6
146.02486	3.1
146.04535	100.0
146.06465	5.9
147.02959	1.0
147.04865	3.3
149.04517	0.9
173.04533	0.7
178.87244	0.7
179.05582	2.0
191.05586	41.4
192.05922	1.8
193.86028	0.7
216.92552	0.8
218.90454	0.6
248.87897	1.2
288.91104	2.4
290.89136	1.4
305.87762	0.7
314.89429	1.0
341.10968	0.8
342.11539	1.2
346.81793	0.5
356.89981	0.6
447.68695	0.5
459.68784	0.5
489.14502	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	488.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17168	1.2
57.01434	1.1
58.02854	2.8
59.01265	53.8
61.98720	3.9
66.39651	1.0
71.01274	20.2
72.99201	4.2
73.02834	2.6
75.00762	2.4
78.95795	13.9
82.27655	1.1
83.01255	1.7
85.02844	5.5
87.00770	4.4
89.02345	21.1
93.03359	1.3
94.02871	3.1
95.01306	2.3
96.95918	21.3
96.96864	25.2
97.02847	1.6
98.02384	100.0
98.95465	2.2
99.00768	3.7
99.01913	5.6
99.02727	2.2
101.02348	14.5
101.55235	1.1
102.01878	4.5
109.02895	1.4
110.02385	3.0
111.00802	2.9
113.02374	7.0
115.91995	1.7
119.03420	5.0
120.01189	10.6
122.02388	2.2
125.02364	2.0
131.03424	1.7
134.02408	1.6
134.44235	1.0
137.02412	2.3
140.03513	1.5
141.09152	3.0
143.03418	2.3
149.04483	5.2
153.09218	2.7
157.55811	1.2
159.02989	2.1
161.04520	7.1
163.03917	1.2
164.03473	1.8
179.05553	7.3
182.04686	1.5
191.05704	1.3
211.07655	1.5
213.28345	1.1
225.14957	1.8
230.15421	1.3
248.16518	1.9
266.17667	18.3
267.18033	2.0
327.08856	2.6
357.15634	1.6
428.23056	10.9
429.22928	1.7
489.20154	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2713
Annotation	Daturolactone 5
Peak:m/z	Relative Intensity
57.03347	3.4
59.01266	1.3
62.04947	0.4
65.00210	1.1
67.01781	0.7
69.88027	2.1
78.95770	0.4
81.03342	2.4
82.55249	0.4
83.01283	1.2
95.01310	1.3
97.02872	1.2
108.02097	1.2
109.02867	1.9
119.20449	0.4
122.03693	0.6
123.04453	1.4
124.01588	35.6
125.02387	24.5
126.02689	0.7
131.58797	0.4
137.02409	3.8
139.03947	67.1
140.04312	2.6
140.91405	0.4
149.06018	0.3
151.00298	0.8
151.03934	0.8
152.01079	2.4
161.02338	0.6
166.02663	0.7
179.03435	2.4
209.18985	0.6
245.19168	0.5
261.22327	1.4
272.69299	0.5
277.21930	0.5
285.22327	1.7
287.20325	1.4
303.23407	3.2
305.21262	1.7
306.21658	0.5
319.22534	0.5
329.17813	0.6
329.21362	6.3
330.21606	0.9
343.22769	1.1
345.24417	1.6
347.18210	0.6
347.22409	9.5
348.22684	1.2
359.25940	0.8
361.23715	0.9
377.27133	0.5
385.24014	0.7
389.23306	0.6
401.27124	1.5
425.21371	0.4
425.27512	0.4
443.27963	2.5
467.68915	0.4
487.27142	100.0
488.27472	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	488.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42403	0.4
54.51959	0.4
58.15528	0.4
59.01252	2.2
64.01804	0.5
64.03162	0.4
65.99751	0.4
70.65632	0.6
70.65963	0.8
71.01271	2.3
71.67658	0.4
76.01823	3.8
78.95789	0.8
84.04433	0.9
85.02850	1.4
87.00773	1.2
89.02351	0.6
96.95947	0.8
96.96861	1.1
101.02379	1.3
102.05519	13.4
109.03960	0.7
115.00299	0.5
118.02908	30.9
119.01316	0.8
119.03283	1.6
125.03433	0.5
127.05060	1.7
128.03468	10.7
128.05399	1.0
129.01831	0.4
129.03799	0.5
133.01361	0.4
145.06131	14.3
146.02428	100.0
146.04489	35.3
146.06317	4.9
147.02783	5.3
147.04880	1.4
147.06581	2.8
161.04495	1.4
179.05595	0.6
191.05579	10.6
192.06032	0.4
341.10989	1.9
342.11417	0.5
343.22232	0.4
370.71777	0.4
410.26221	0.4
513.88092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53542	0.4
55.01763	0.7
57.03333	1.8
58.00478	0.5
58.28708	0.4
59.01269	5.1
61.98715	1.0
69.03338	1.4
71.01270	8.3
71.04906	1.1
71.20921	0.9
73.02847	5.5
79.39661	0.5
80.02544	0.6
81.03339	1.4
83.01313	0.5
83.04922	3.1
84.02071	1.1
85.02850	3.6
89.02341	1.2
95.01275	0.7
95.04919	2.1
97.02847	1.6
97.06490	1.8
98.03642	0.6
99.04396	0.5
99.08051	1.0
101.02352	10.3
105.50950	0.5
107.04910	1.2
108.02073	0.6
109.02867	1.2
109.06514	1.3
110.03664	0.7
111.00817	0.5
111.04462	0.7
111.08044	0.9
112.05263	0.5
113.02379	0.6
115.07542	1.3
121.02948	0.6
122.03616	0.6
123.00810	1.1
123.04440	0.9
123.08099	1.9
125.02369	6.2
125.06009	1.4
125.09648	6.1
127.07578	6.5
127.11234	0.6
130.90181	0.5
133.06566	0.6
135.04427	0.6
135.08083	1.5
137.02362	0.6
137.09673	2.0
139.07562	1.2
139.42052	0.6
141.09140	0.9
141.12764	1.0
149.06059	0.6
149.09634	0.7
151.11259	1.2
153.09163	9.9
153.12746	0.6
155.10690	1.5
159.98495	0.5
161.09669	2.8
162.83907	0.9
163.07574	1.6
163.11253	4.7
164.11534	0.6
165.09137	0.7
165.12846	3.4
171.10255	10.7
172.10628	0.8
177.09169	1.0
177.12892	0.5
178.09941	1.6
179.10718	2.0
179.14394	0.9
181.12338	1.7
185.11809	16.7
186.12114	0.7
187.93683	0.5
189.12839	0.5
191.10767	1.9
191.14400	2.2
193.15976	0.5
195.10236	1.4
197.11850	9.4
198.12175	1.0
205.12337	0.6
207.10272	3.3
209.11839	46.3
210.12173	3.3
211.13370	0.6
216.11386	0.6
219.13914	1.1
221.11882	1.2
223.13623	0.7
225.11340	2.0
227.12869	0.9
235.13429	2.1
236.10587	0.9
237.11121	0.8
238.12111	3.0
239.12836	0.8
239.16512	0.6
243.17516	0.6
245.19095	5.5
247.20737	2.1
253.14497	3.4
253.17886	0.7
255.12463	0.5
256.13208	2.4
262.12079	0.6
263.20261	1.2
265.18085	0.8
269.19086	1.5
271.17175	0.6
273.07541	0.7
279.19702	1.2
280.13318	0.9
281.13867	0.5
287.17010	0.5
287.20264	1.4
289.18204	9.5
290.18576	1.3
291.19748	18.1
292.20044	2.3
295.17099	2.2
297.20706	0.6
303.19775	0.6
305.17642	1.7
307.19241	57.6
308.19543	6.6
309.20828	13.7
310.21124	1.2
313.18155	4.5
323.18762	0.6
325.20288	100.0
326.20633	11.0
331.19254	20.9
331.22333	0.4
332.19562	2.0
343.19098	0.6
349.20316	7.2
350.20734	1.4
361.20480	0.8
361.60257	0.5
367.21399	6.0
379.21393	0.8
397.22443	11.2
398.22610	1.6
427.23459	20.9
428.23849	3.1
487.25510	6.4
488.25427	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11172	0.6
57.03339	1.3
59.01267	70.0
59.65646	0.6
60.01583	1.2
60.06140	0.6
61.98718	12.5
69.40067	4.8
71.01279	4.0
73.02840	0.7
85.02843	14.8
87.04415	0.7
88.03963	0.6
89.02338	7.1
95.01299	0.8
96.95932	1.3
98.19825	1.3
101.02329	3.3
110.02361	1.8
110.30704	0.6
113.02358	3.4
117.03378	2.7
119.03396	2.8
119.04958	1.0
120.08122	2.7
121.06516	16.7
130.06549	8.1
133.02917	0.9
135.04466	1.6
142.05067	4.0
144.08138	4.1
145.02890	8.8
146.03630	1.0
146.06076	0.9
146.09697	7.9
148.07578	1.2
148.11299	4.3
153.01891	0.7
161.02385	4.8
161.04500	0.9
163.03972	1.5
174.09236	2.8
176.07150	1.1
179.03400	1.0
179.07124	1.5
188.10846	0.9
192.10280	34.4
193.10640	2.3
204.10280	9.7
205.11011	2.2
220.13434	14.2
221.13774	1.4
246.11310	1.7
264.12469	100.0
265.12772	7.9
306.13617	2.6
307.08279	4.7
322.36285	0.6
323.07715	1.6
330.09882	0.7
341.56796	0.6
487.16241	2.2
487.25281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.1
61.98713	0.2
63.09331	0.2
67.01772	0.2
69.51823	1.2
69.52248	0.4
69.61172	0.2
71.01261	0.6
72.97624	0.2
78.95813	1.3
83.02396	0.5
83.75085	0.2
85.02842	0.8
87.00775	0.3
89.02341	0.2
93.03371	2.0
95.01327	0.2
96.95922	4.8
96.96861	2.4
98.02374	0.7
101.02334	0.4
109.02849	0.3
111.04433	0.8
121.02904	0.2
123.04494	0.2
137.02376	0.7
148.24544	0.2
155.03458	0.8
165.05495	0.9
169.06570	0.5
171.04485	0.2
173.04518	5.5
173.06012	0.4
174.03218	0.3
180.05748	0.2
182.03719	0.2
185.06029	1.0
191.05594	4.9
192.05954	0.4
195.04463	0.8
197.06058	0.9
198.00516	0.2
198.03267	0.3
199.04022	0.6
201.01920	0.4
211.03999	0.3
212.04793	0.7
213.05568	4.4
214.02690	1.1
214.05960	0.3
223.04019	0.8
224.04752	0.3
225.05609	6.1
225.07748	0.7
226.02734	2.7
226.05936	0.4
227.03467	3.8
228.03882	0.4
229.01437	0.3
230.02115	0.2
235.05104	0.3
239.03606	0.3
240.04320	4.2
241.05087	4.9
242.02257	2.9
242.05273	0.4
243.02505	0.3
250.02869	0.2
251.03511	2.3
252.04295	0.2
253.01534	0.7
254.02213	0.4
263.04407	0.2
269.04614	100.0
270.04959	9.3
270.07941	0.2
313.03622	15.1
314.04019	1.8
387.12866	0.2
399.13589	0.2
433.27005	0.2
487.08978	3.6
487.15448	0.3
487.18497	0.3
488.09027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14464	0.5
56.94057	0.4
59.01271	4.2
61.98722	17.9
71.01286	2.3
82.03390	0.4
83.01302	0.4
85.02854	1.3
86.26237	0.5
87.00763	0.5
89.02354	1.2
93.03365	1.8
93.27882	0.4
96.95903	0.7
97.18042	0.5
101.02362	1.4
109.02872	0.6
113.02368	1.2
117.03391	0.5
119.03413	0.6
119.04236	0.5
121.02881	39.8
122.03164	1.2
132.02121	2.7
134.03674	6.6
135.08113	1.4
137.02390	0.8
145.06102	0.6
146.02419	1.2
147.03227	0.9
148.03990	100.0
149.04343	5.0
149.06042	1.4
160.01616	16.0
161.02072	0.8
161.04440	0.8
162.01888	2.3
163.02292	0.5
175.03972	24.7
176.04446	1.3
178.02669	0.8
179.05602	0.7
190.05093	0.6
193.05077	8.1
209.11496	0.4
235.06142	1.1
295.16302	0.5
310.09393	2.3
324.07431	1.4
325.07587	0.5
325.20261	1.7
337.09384	43.4
338.09741	3.9
422.14685	0.6
423.14917	0.7
486.14056	4.0
487.13708	1.2
487.25784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3285
Annotation	2-Hydroxyrubiarbonone E
Peak:m/z	Relative Intensity
55.73373	0.5
59.01259	1.2
71.27129	0.9
71.76727	0.5
78.95795	1.3
81.57436	0.5
85.92163	0.5
95.04930	1.2
96.95921	1.1
107.04971	0.6
109.06540	0.5
123.08069	0.8
149.09615	0.8
152.99529	1.6
167.10713	0.6
201.04053	0.5
203.14468	0.7
255.23280	2.6
256.23782	1.5
257.23993	1.9
265.28494	0.5
295.22684	0.5
298.19681	0.6
311.53754	0.5
319.22861	1.3
331.23016	0.6
333.24509	2.1
345.24600	0.6
359.26047	0.6
361.27713	0.6
387.29541	0.8
423.32767	3.4
424.33261	0.6
441.33807	1.7
443.61948	0.5
449.30783	2.3
450.30737	0.6
467.25064	0.9
467.31674	7.8
468.32135	1.5
485.32938	100.0
486.33295	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	486.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65513	1.1
59.01268	18.6
61.98716	23.5
71.01267	11.8
71.53999	2.6
71.54406	2.3
73.02854	2.3
79.62775	1.3
85.02856	3.3
87.00793	4.1
89.02328	7.4
96.95924	1.9
101.02355	5.9
108.02100	2.3
109.02873	2.5
113.02364	5.4
117.03362	2.7
121.02878	4.0
123.00768	1.6
123.04420	2.4
125.02359	1.7
133.02843	6.9
134.03683	35.9
135.04515	7.8
135.08041	2.7
137.02394	5.6
145.02896	2.5
146.02420	2.4
147.03436	1.3
147.04456	6.7
148.03960	5.6
148.05200	4.7
148.20749	1.4
149.02423	4.1
149.06029	14.3
151.03944	1.9
158.03648	2.0
160.01614	17.7
160.03917	2.1
161.02356	5.6
161.04524	3.0
163.04073	2.4
164.04622	1.3
167.03534	1.5
169.12294	1.4
173.06013	4.4
175.03975	30.9
176.01122	2.4
176.04771	25.6
177.01877	7.0
177.05379	2.2
178.02695	6.8
179.03389	2.3
191.07109	35.7
192.04247	5.5
192.07478	2.0
193.05037	64.0
194.05409	5.1
196.83537	1.3
206.70515	1.3
207.06622	15.1
208.07011	1.3
217.05040	4.4
219.85519	1.4
220.03789	5.9
221.03300	1.3
235.06139	100.0
236.06461	5.1
265.07220	32.7
266.07590	3.5
267.32849	1.3
295.04971	2.4
295.08282	42.4
296.08676	3.2
325.20450	2.8
355.10474	6.2
356.10941	1.3
486.26138	3.4
487.25772	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	485.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	1.0
59.01259	1.4
61.98737	1.0
67.01772	2.1
69.03344	0.7
70.53989	1.8
71.01263	1.3
72.99216	2.0
78.95824	0.8
80.33264	0.5
81.03353	0.7
83.01281	1.0
85.02850	13.9
87.00771	5.0
93.03363	4.6
97.02871	1.3
98.19878	0.6
99.00793	0.6
99.04456	0.5
101.02381	0.6
109.02859	1.2
111.00801	66.0
111.04434	1.9
112.01148	6.3
113.01201	3.3
127.03954	2.8
127.11282	0.7
127.90947	0.4
129.01855	0.7
129.09171	1.2
132.78409	0.5
137.02394	0.6
139.03938	2.4
140.04277	0.9
153.12782	1.4
154.99814	4.7
157.08681	1.6
169.12317	0.9
171.02963	0.8
173.00877	19.3
173.04515	2.1
174.01205	1.5
181.12297	5.3
182.12680	0.5
191.05597	100.0
192.05898	3.9
199.13387	1.4
202.72285	0.6
227.13010	0.8
228.13593	1.1
293.21390	5.0
294.21689	0.7
311.22372	85.5
312.22723	8.6
354.26794	0.5
467.26456	1.1
485.23822	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78662	0.2
57.03344	0.3
58.25936	0.2
59.01257	1.5
61.98714	0.9
67.01785	0.6
69.03352	0.4
70.13383	0.7
71.01281	0.9
73.02843	0.3
81.03345	0.4
83.04919	0.4
85.02843	9.7
86.03210	0.2
87.00767	2.1
87.46939	0.2
91.86669	0.1
93.03362	4.8
99.00834	0.2
99.04431	0.4
101.02335	0.2
109.02853	1.0
109.10510	0.2
111.00793	1.0
111.04440	1.4
112.01131	0.4
112.34454	0.1
113.02320	0.2
115.07586	0.2
125.09648	0.6
127.03928	2.4
129.09158	0.2
137.02432	0.3
163.11226	0.4
167.14369	0.4
171.02963	0.7
173.04506	1.8
183.13853	0.3
185.58661	0.2
187.09718	0.3
191.05591	100.0
192.05934	4.3
195.13869	1.3
196.14223	0.2
209.11818	0.2
249.22308	0.4
283.22678	0.2
288.30331	0.2
293.21329	6.7
294.21643	0.6
301.14429	0.2
311.22363	36.3
312.22708	3.8
406.53436	0.2
467.26553	0.7
485.27679	3.2
486.28333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32587	0.1
55.51585	0.1
57.03344	1.9
59.01265	0.2
61.98719	0.2
67.01779	2.3
69.86971	0.1
71.44800	0.2
76.88348	0.1
78.95848	0.1
83.01279	0.3
85.02850	1.7
87.00779	9.0
88.01128	0.2
101.02364	0.2
111.00797	100.0
112.01130	2.8
119.83287	0.1
124.01029	0.1
129.01903	1.0
154.99831	0.5
160.84180	0.5
162.83934	0.3
169.89894	0.1
173.00887	10.3
174.01227	0.3
195.13829	0.2
204.71832	0.1
254.07002	0.1
293.21387	0.2
295.22525	0.2
311.22397	1.7
312.22592	0.2
313.03482	0.2
316.53882	0.2
450.06702	0.2
485.23831	1.9
486.24423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2558
Annotation	Withametelin J
Peak:m/z	Relative Intensity
57.03337	2.5
59.01263	0.5
61.98702	0.5
63.02305	0.3
65.00212	1.2
65.03864	0.5
67.01768	0.6
69.03368	0.4
70.54418	0.3
71.53092	0.4
81.03360	1.5
82.45646	0.3
83.01276	1.0
83.34078	0.3
89.16415	0.3
93.48459	0.3
94.30281	0.3
95.01296	1.9
95.04915	0.5
97.02865	1.2
97.43591	0.3
107.01318	0.4
107.89583	0.3
108.02087	0.6
109.02865	2.1
111.04468	0.5
122.03709	0.4
123.00792	0.4
123.04413	0.6
124.01591	36.3
125.02393	11.2
126.02737	0.4
135.04483	0.9
137.02377	2.7
138.03178	0.4
139.03947	68.6
140.04277	3.3
140.59703	0.3
149.05995	0.4
151.00273	1.0
151.03960	0.5
152.01115	1.5
159.52930	0.3
160.84149	0.4
161.02417	0.7
162.83867	0.9
165.01900	0.5
166.02711	1.4
167.91251	0.3
179.03474	4.9
181.05046	0.5
193.05002	0.5
259.20682	1.2
261.11298	0.4
275.20413	0.5
281.25781	0.3
283.20712	1.8
285.18671	0.6
287.16528	0.6
301.21851	3.0
303.19705	2.2
317.21320	0.4
323.22327	0.4
327.19699	6.3
328.20001	0.7
331.19223	0.3
341.21304	0.4
343.22720	1.5
345.20755	9.7
346.21182	1.1
357.24463	0.9
359.22418	0.5
383.22580	0.5
387.21750	0.8
399.25604	0.6
409.24036	0.3
441.26544	1.1
442.27542	0.3
467.24249	0.5
485.25571	100.0
486.25937	18.9
486.31473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.0
59.01261	0.3
61.98712	0.5
65.40474	0.2
67.01781	2.2
70.58236	0.2
71.58900	0.3
83.01303	0.2
85.02861	0.8
87.00779	6.9
94.07772	0.2
109.60135	0.2
110.92308	0.2
111.00796	100.0
112.01124	3.0
125.28645	0.2
125.54971	0.2
133.72473	0.2
137.06009	0.2
137.84630	0.2
140.36818	0.2
154.99786	0.6
160.43115	0.2
160.84167	0.2
173.00894	8.9
174.01215	0.4
311.22403	0.9
444.05170	0.2
485.23932	0.6
485.30283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19160	0.3
54.90641	0.3
57.03341	1.7
58.44828	0.3
59.01259	0.6
60.97310	0.3
61.98715	0.6
62.36151	0.3
65.84145	0.3
67.01782	2.1
71.59256	0.4
72.00376	0.3
73.27224	0.3
81.03352	0.5
83.01294	0.4
85.02837	0.8
87.00817	0.3
92.96358	0.3
93.03375	0.4
95.70630	0.3
96.95934	0.4
101.02357	0.7
111.00794	100.0
112.01134	4.0
118.36837	0.3
130.42012	0.3
137.06078	0.8
142.17560	0.3
154.99815	0.8
173.00876	8.9
174.01166	0.5
191.05615	2.1
278.91144	0.3
293.21194	0.5
311.22363	1.4
312.22653	0.4
374.86090	0.3
479.10675	0.4
485.28290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	7.5
61.98721	100.0
69.41050	1.3
69.41448	0.6
71.00939	0.2
71.01285	1.0
71.11106	0.2
85.02847	0.4
85.24752	0.2
87.00763	0.2
89.02363	1.0
96.95929	0.4
101.02335	0.6
102.98495	0.2
109.02948	0.3
113.02345	0.4
119.03403	0.3
121.02910	0.6
123.00833	0.3
125.02399	0.3
135.08093	0.6
140.01099	0.2
145.02917	0.2
147.03249	0.9
148.03969	1.4
153.01923	0.5
161.02478	0.3
161.04622	0.4
162.01932	3.0
175.03877	0.3
177.01915	1.6
179.03741	0.2
179.05559	1.3
193.05128	0.3
196.49886	0.2
205.03398	0.3
242.08272	0.5
285.52435	0.2
297.06326	0.4
323.19080	0.2
324.07294	1.2
337.09583	0.5
382.18597	0.2
422.14655	1.5
424.22757	0.3
425.22299	0.5
467.25018	0.3
485.13739	0.7
485.34192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.7
59.01274	12.5
61.81737	1.5
61.98718	18.9
69.03342	2.5
71.01265	8.3
71.51820	2.6
72.85668	1.4
73.02850	1.8
75.52979	1.4
78.95783	3.4
79.95618	2.7
80.96424	2.6
83.01284	1.6
85.02861	3.2
89.02335	2.3
93.03361	1.5
95.01292	2.4
96.95911	10.5
96.96859	7.1
97.02858	6.2
98.02405	2.2
101.02332	3.7
105.07056	1.5
107.01340	1.7
107.04938	1.7
108.05737	1.3
109.02853	4.0
109.06464	1.4
111.04440	3.8
113.02370	4.1
113.06006	4.5
119.03467	1.5
122.03678	2.6
123.00804	2.4
123.04445	2.5
123.08096	2.7
124.01591	2.2
125.02375	7.2
125.06010	6.0
134.03677	3.0
135.04501	1.9
136.05281	3.5
137.02286	1.9
137.05991	2.1
138.06789	4.9
139.03957	1.7
139.07619	12.2
148.03998	2.2
148.05212	2.0
151.00311	5.6
151.03970	3.4
151.07599	30.9
152.04762	3.2
152.08423	11.2
153.01958	2.5
153.05487	2.3
153.09145	5.3
159.11690	1.6
160.01604	3.6
161.04555	1.7
161.09596	2.0
163.07628	4.5
167.07114	2.5
173.04543	1.9
175.03984	4.5
191.05539	2.1
193.05048	1.6
198.05634	1.7
199.06358	5.2
199.08171	2.0
201.12851	12.1
203.10832	4.0
204.11511	15.9
207.88510	1.4
215.07043	2.9
219.13908	24.7
220.14284	1.9
228.11504	3.2
242.05928	5.6
242.08305	6.3
243.06471	2.4
243.13885	3.5
245.11870	9.6
263.12952	100.0
264.13370	9.0
287.12949	8.4
305.13977	9.6
337.09332	2.6
385.53635	1.5
467.15771	2.6
485.07654	12.4
485.17142	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	485.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56809	0.8
54.29473	0.8
59.01264	5.9
61.98720	100.0
69.03329	1.2
71.01286	4.5
71.01614	0.9
71.60292	2.0
76.65976	0.9
78.10707	1.0
78.95783	2.2
79.95605	1.5
82.13222	0.8
87.73084	0.9
89.02341	2.8
89.84919	0.9
93.03354	0.9
96.95907	3.9
97.02831	1.0
101.02362	2.2
109.02843	1.6
113.02354	1.8
123.00762	1.5
124.01580	1.1
125.02363	3.6
134.03682	2.6
135.04478	1.0
139.04027	1.2
151.00238	1.8
159.04294	1.1
161.02361	1.8
161.04460	1.8
162.69160	0.9
168.04492	1.3
170.02405	3.1
170.05949	1.3
172.05200	1.6
173.04530	1.5
183.03217	1.0
184.04024	10.5
185.04356	1.5
186.03207	6.8
187.07632	2.9
193.04916	1.4
196.04050	6.0
196.07701	1.3
198.05585	14.1
199.06372	53.3
200.06670	4.9
210.61792	0.9
212.03613	4.6
212.07133	3.6
213.04329	6.0
214.08694	4.3
215.07138	26.2
216.07428	2.3
218.58835	1.0
224.07130	1.4
227.05849	1.1
242.06248	3.1
242.08250	80.8
243.06410	1.4
243.08568	7.8
246.40646	1.1
283.02408	1.0
309.11765	1.7
485.07861	4.7
485.17068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34703	0.8
59.01266	7.0
61.57705	0.8
61.98720	100.0
65.99713	0.8
68.01296	3.1
69.45023	7.1
71.01273	3.6
75.19234	0.7
78.95805	1.0
85.02820	1.1
89.02351	3.4
95.47977	1.1
96.95913	6.3
96.96857	1.8
98.19821	2.1
101.02341	2.0
109.02837	1.4
113.02335	1.8
124.01573	0.9
125.02354	2.8
130.16940	0.9
134.03650	1.5
137.02368	1.0
158.03644	1.2
159.04504	2.5
170.06065	1.5
171.04498	1.0
172.05229	5.0
173.02379	2.1
173.04652	1.5
173.06056	3.7
179.05603	2.3
180.80281	1.1
184.03998	8.2
186.03214	3.2
187.07626	5.4
196.07591	1.7
198.05574	4.3
199.06360	8.3
200.04796	2.3
201.05489	1.1
202.06265	1.5
212.03572	4.8
213.04193	4.6
215.07137	53.2
216.07376	4.5
242.08260	76.5
243.08600	6.4
425.20483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.7
61.98720	100.0
62.54655	0.5
68.01308	3.7
69.56699	3.7
71.01264	1.5
71.06959	0.6
75.00771	0.6
78.95811	0.8
79.95646	2.3
80.96422	2.3
83.00874	0.5
85.02864	0.9
87.00793	0.9
88.98720	1.6
89.02350	2.0
92.62796	0.5
93.34628	0.6
96.95920	9.7
96.96869	1.5
98.02411	0.9
101.02341	1.1
123.04410	0.8
125.02379	1.1
134.03694	0.7
135.04466	0.8
137.02415	1.1
138.86156	0.6
145.02988	0.6
152.68878	0.6
158.03668	0.9
159.04478	1.7
167.03481	1.2
170.06020	2.6
171.03171	0.7
171.04575	1.6
172.05266	6.1
172.07593	0.7
173.02428	1.8
173.04590	0.9
173.06056	4.8
174.06865	0.7
184.04001	6.1
186.03203	3.2
186.05569	1.0
187.03944	0.7
187.07637	7.4
196.04041	0.6
198.05614	2.4
199.06392	4.1
200.04843	2.6
200.06717	0.6
201.05621	1.1
202.06384	3.6
212.03506	3.3
212.07147	0.7
213.04303	5.4
214.08879	1.4
215.07138	57.0
216.07486	4.4
228.43443	0.6
232.03804	0.8
242.08257	71.9
243.08615	7.0
269.09470	1.4
289.19388	0.6
299.04471	0.9
317.05670	2.9
330.27878	0.6
425.07770	1.1
435.10007	2.5
451.09695	1.0
485.09851	1.0
485.17188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	7.4
61.98719	92.3
69.03333	1.1
69.23435	5.6
69.23866	4.5
71.01271	3.7
72.99188	0.9
75.00780	0.8
76.84109	1.0
78.95792	4.4
85.02824	1.8
89.02326	2.7
96.95932	7.9
96.96848	1.6
101.02361	1.4
109.02877	1.4
113.02351	1.7
119.03396	1.1
123.00769	1.8
123.04488	1.4
125.02346	4.2
134.03635	1.7
137.02426	1.5
139.00270	1.3
139.03918	2.3
148.03918	1.1
153.05597	1.0
156.04474	1.0
158.03717	0.8
160.19321	1.0
161.02356	2.6
161.04552	1.5
162.01915	1.5
167.03397	1.8
168.23091	0.9
169.05032	1.8
170.02425	2.8
170.06026	1.2
170.77209	1.0
172.05264	2.3
173.04504	2.8
177.01767	1.1
184.04015	11.6
186.03206	6.5
187.07593	4.3
191.05519	2.5
196.04030	5.1
198.05588	13.9
199.06361	56.3
200.06787	2.9
201.11290	1.5
212.03560	3.0
212.07170	3.3
213.04250	4.1
214.08757	7.7
215.07150	30.0
216.07410	2.4
217.12402	0.9
224.07117	1.6
227.03618	1.6
227.05821	1.1
242.08249	100.0
243.08525	8.9
269.09296	2.1
283.02365	1.0
305.21948	0.9
309.11887	1.1
312.92319	1.0
354.02621	1.0
467.15366	1.9
485.07681	4.7
485.16602	3.8
486.10773	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	485.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29879	0.8
59.01262	8.5
61.98721	100.0
68.01302	2.9
69.03325	1.0
71.01285	3.8
71.01849	1.0
73.02829	0.8
78.95804	0.9
85.02862	1.0
87.00747	0.8
89.02325	4.1
95.01282	1.0
95.06160	0.8
96.95925	6.8
96.96885	3.1
98.02376	0.8
99.00783	1.4
101.02345	3.1
101.27705	0.9
109.02845	1.6
111.00862	1.1
113.02365	2.0
119.03365	1.0
123.00790	1.4
124.01638	1.0
125.02402	2.9
135.04440	1.0
137.02332	1.3
139.03987	1.2
141.01939	0.9
153.01939	1.0
153.05429	0.8
158.03766	0.9
159.04485	1.2
161.02325	1.1
161.04572	1.5
170.06084	2.0
170.27316	0.8
171.04532	1.4
171.06744	1.8
172.05287	4.7
173.06017	5.6
179.05621	2.0
184.04039	6.4
186.03200	3.1
187.07625	7.2
188.07956	1.3
198.05623	3.8
199.06384	8.7
200.04738	1.9
202.06334	2.9
212.03500	3.2
213.04359	5.6
215.07138	53.4
216.07541	4.0
225.69098	0.9
242.08266	66.1
243.08585	6.2
323.16541	0.9
324.11313	1.0
369.57339	0.9
425.20251	1.8
485.16776	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	485.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02858	0.5
59.01265	4.1
61.98718	100.0
65.27966	0.2
67.13338	0.1
70.20274	0.6
71.01269	1.4
73.02845	0.6
74.02359	1.0
78.95799	0.4
82.02908	0.1
83.01284	0.2
85.02868	0.7
86.02390	0.6
87.05528	0.3
89.02348	0.3
91.13521	0.2
96.95957	0.2
98.20484	0.2
99.00789	0.3
99.05534	0.8
101.02369	0.7
105.07020	0.2
113.02384	0.3
114.02707	0.2
120.05752	0.3
125.02364	0.2
127.05070	0.2
128.03465	2.8
129.03841	0.4
135.05609	0.2
135.08107	1.3
139.00261	0.2
139.07619	0.5
140.01118	0.5
141.06696	0.2
143.04556	3.4
144.04921	0.6
145.06117	0.2
146.04527	0.3
149.06035	0.2
152.99518	0.4
153.05542	0.2
153.06712	0.2
154.11238	0.2
155.00026	0.2
155.03526	0.5
160.00693	1.0
161.04536	0.5
162.01949	0.4
167.04683	0.3
167.86607	0.2
177.03462	0.3
177.19183	0.2
179.04628	0.6
180.04976	0.3
185.05705	0.2
191.03477	0.2
193.05063	0.8
201.12952	0.3
210.08937	0.7
211.09178	0.2
219.13951	0.4
245.12047	0.2
254.07838	0.8
255.08278	0.5
263.12921	2.6
264.13333	0.3
272.08920	1.3
273.09311	0.7
280.08328	0.3
287.14017	0.3
288.06735	0.4
289.06943	0.2
291.18143	0.3
292.18607	0.4
293.18939	0.2
306.07700	2.8
307.08008	1.8
307.15781	0.3
308.07614	0.4
323.18869	0.2
323.22379	0.3
331.25131	0.3
338.16037	0.2
391.18631	0.2
423.22699	0.3
424.22763	1.5
425.23013	1.8
465.88193	0.1
485.26065	0.2
485.35208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36460	0.7
55.37289	0.6
58.02861	8.9
58.99493	0.7
59.01274	3.7
61.98722	43.0
70.02863	1.1
71.01272	1.9
71.52871	1.3
72.00795	1.5
74.02365	20.0
78.95785	2.2
81.04495	1.2
82.02873	2.4
84.04440	0.8
85.03975	1.1
86.02374	7.4
86.06002	1.3
86.99009	1.5
87.05546	3.9
90.00088	2.8
97.03984	2.6
99.05543	18.2
101.02362	1.7
101.07106	2.8
102.05515	2.9
104.06499	0.6
107.06084	0.9
109.04014	3.5
111.05541	1.9
112.03948	2.4
113.02358	1.2
113.03494	0.9
114.45151	0.7
116.01662	1.3
120.01106	1.0
120.43288	0.7
122.06119	0.8
123.00794	1.5
123.04393	1.4
123.05601	1.2
123.08092	1.5
124.04012	1.0
125.02409	0.7
125.03491	2.1
127.05055	3.1
127.08652	0.7
128.03467	55.6
129.03836	1.6
135.05589	4.7
135.08104	2.3
136.05959	0.7
137.07135	0.9
141.06651	5.1
143.04567	70.2
144.04903	1.6
145.06142	2.5
145.60291	0.7
146.04553	7.0
149.07172	1.3
152.99542	4.4
153.06647	4.6
155.08177	0.9
160.00694	22.8
161.01028	0.9
162.01892	1.1
166.09798	2.7
167.03435	1.8
167.04689	4.0
167.08240	2.5
171.10300	0.8
177.03355	7.7
179.04601	13.7
180.04990	1.1
181.06137	1.8
184.10843	0.9
185.05617	3.2
191.05556	1.4
192.07785	1.6
193.06323	0.8
197.05635	2.9
198.08745	0.8
210.08852	11.4
213.03418	1.0
228.09911	0.9
231.04503	1.4
242.07869	2.2
254.07878	26.7
255.08119	1.3
272.08951	36.9
273.09280	2.3
288.06680	12.9
306.07736	100.0
307.07983	7.6
322.07260	2.5
322.13858	1.0
323.22318	0.9
396.05743	0.8
423.22330	0.8
424.22714	1.7
468.10455	0.7
484.14142	0.6
484.21268	5.1
485.25357	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29987	0.2
67.81069	0.2
68.39493	0.2
69.30427	2.2
69.30759	0.4
78.95797	8.1
96.96893	0.8
98.20612	0.4
144.57343	0.2
146.93425	0.2
152.99533	14.7
153.99918	0.3
171.00586	1.0
182.92828	0.2
202.00653	0.2
227.03297	3.0
228.03706	0.2
245.04362	1.3
255.23343	100.0
256.23691	10.9
483.27414	31.1
484.27704	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	483.274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08772	0.2
57.67699	0.2
71.14275	0.5
71.61128	0.2
78.95798	6.7
96.96899	0.6
152.99532	14.2
153.99898	0.3
171.00624	1.2
185.36171	0.2
227.03285	3.8
237.22185	0.3
245.04413	1.3
255.23349	100.0
256.23672	9.7
453.68051	0.3
483.27414	39.2
484.27756	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	484.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23282	0.4
57.03345	1.9
59.01265	1.4
61.98711	3.1
67.01771	2.0
71.01260	1.0
71.59718	0.6
85.02889	0.5
87.00789	4.8
89.02367	0.6
96.95922	1.0
101.02357	0.3
111.00797	100.0
112.01131	3.1
123.00750	0.4
137.02412	0.4
173.00890	10.9
185.53040	0.4
193.44327	0.4
194.05728	0.4
342.98523	0.4
353.07388	2.5
484.11209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39890	0.3
54.43224	0.3
55.01791	0.4
58.02864	4.3
59.01270	7.2
61.98720	100.0
70.02874	0.4
71.01270	5.1
71.44133	0.7
72.00823	0.8
72.01631	0.6
73.02841	2.3
74.02361	10.9
75.00773	0.3
78.95782	2.4
81.04497	0.7
82.02883	1.2
83.01297	1.0
84.04430	0.5
85.02834	2.1
85.03971	0.4
85.08439	0.4
86.02378	4.3
86.03220	0.5
86.06029	0.7
86.99009	1.1
87.00763	0.4
87.05093	0.4
87.05522	2.5
89.02348	1.4
90.00119	0.9
95.01276	0.4
96.04459	0.5
96.95907	0.4
97.03986	0.8
99.00807	1.0
99.05550	9.3
101.02357	4.8
101.07129	1.1
102.02706	1.2
102.05531	1.5
105.07030	0.6
107.06087	0.8
109.02887	0.4
109.04021	1.9
109.07638	0.7
111.00847	0.5
111.05560	1.1
112.03966	0.9
113.02359	2.0
113.03503	0.5
114.02733	0.5
116.01701	1.0
120.01191	0.4
123.05558	1.0
123.08098	1.0
124.03953	0.8
125.02418	0.6
125.03488	1.0
127.05084	1.7
128.03467	26.5
129.03799	0.7
131.04503	0.6
135.05536	3.0
135.08075	1.5
137.07170	0.8
139.07600	0.4
140.01152	0.7
141.06631	2.3
143.04564	36.9
144.04900	0.9
145.06117	2.1
146.02614	0.4
146.04529	3.9
147.03227	0.5
149.06061	0.6
152.99519	3.2
153.01848	0.9
153.06621	2.7
155.03493	1.1
155.08165	0.6
160.00691	9.6
160.02008	0.5
161.04543	1.3
162.01913	1.0
162.04836	0.6
166.09839	1.5
167.04581	2.4
167.08234	1.2
170.03333	0.4
171.07748	0.6
177.03383	3.9
179.04593	8.4
181.06117	1.0
185.05666	1.5
192.07855	0.9
193.05040	1.8
197.05695	1.3
198.08989	0.4
210.08824	7.4
219.13989	0.6
242.07906	1.0
254.07866	11.0
255.08147	0.5
263.12955	4.0
272.08951	20.2
273.09262	1.4
288.06653	6.3
289.07086	0.5
291.18207	1.7
292.18576	2.5
306.07733	50.6
307.07983	4.0
323.18893	0.5
331.25006	0.7
338.16052	0.5
423.22583	2.6
424.22827	13.4
425.23065	1.3
428.80582	0.4
484.21280	2.8
485.35095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.9
56.43896	0.8
57.03333	2.8
57.25559	0.8
58.00466	1.8
58.02860	1.8
59.01268	61.2
60.54182	0.8
61.98719	4.5
69.03326	1.4
71.01270	38.3
71.01669	2.0
71.02544	1.6
71.02859	1.1
72.99196	2.3
73.02836	15.7
74.02367	2.3
78.95797	50.6
83.01290	9.3
85.02847	20.0
86.02361	1.1
87.00774	2.2
89.02345	9.1
95.01294	2.9
96.95934	1.5
96.96869	6.1
97.02827	1.4
99.00787	7.1
99.05562	2.8
101.02348	42.7
111.00780	1.9
113.02365	15.7
114.02699	1.0
123.04440	2.9
125.02391	3.0
128.03474	6.9
131.03436	33.8
131.08267	1.2
135.08156	1.0
139.03944	1.2
139.55197	0.9
141.01692	1.0
141.06534	1.0
143.03497	1.8
143.04568	7.9
149.04524	1.5
150.97960	1.2
152.99533	90.7
153.05490	4.7
153.99870	1.9
159.02968	2.2
160.00703	1.7
161.04518	13.2
171.00623	4.1
179.04572	2.8
185.05563	1.0
210.08829	2.1
233.06795	1.0
242.02669	0.8
254.07886	4.2
272.09000	3.9
288.06839	2.1
291.18207	100.0
292.18558	9.9
306.07715	11.5
321.17194	2.7
335.17395	1.8
393.67493	1.0
423.22449	80.6
424.22751	11.7
425.19656	0.9
483.23840	37.4
484.23920	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	483.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.2
57.22320	0.2
59.01255	1.3
67.01783	0.5
69.03338	0.3
69.90078	0.5
69.90492	0.6
71.01263	0.9
80.08741	0.2
81.03337	0.3
83.01312	0.2
83.04915	0.6
85.02847	8.8
86.03190	0.5
87.00773	1.8
93.03362	3.9
99.04411	0.2
101.02325	0.3
109.02840	0.7
110.67050	0.2
111.00797	3.2
111.04414	1.2
113.09639	0.4
125.02373	0.3
127.03954	2.2
154.99791	0.5
155.03378	0.2
165.12842	0.3
171.02936	0.6
173.00867	1.7
173.04488	1.7
181.12305	0.5
191.05595	100.0
192.05954	4.4
221.15256	0.2
247.20726	0.3
273.18961	0.3
291.19693	3.4
292.20029	0.3
309.20810	21.6
310.21173	2.4
424.50729	0.2
483.26233	2.5
484.26596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.0
59.01252	0.2
64.79262	0.1
67.01775	2.4
70.93823	0.2
70.94158	0.2
71.01270	0.1
72.99205	0.3
83.01297	0.5
85.02847	1.0
87.00775	5.7
96.95908	0.1
99.00787	0.3
101.02323	0.1
111.00796	100.0
112.01141	2.9
112.98730	0.4
123.93410	0.1
124.98752	0.1
129.01857	0.3
133.78194	0.1
142.99838	0.2
153.99054	0.4
154.99826	1.5
161.34366	0.1
173.00883	11.4
174.01227	0.5
197.11838	0.1
241.10750	0.1
260.25180	0.1
291.19827	0.4
302.09915	0.1
309.20801	1.1
310.21149	0.1
359.22607	0.2
407.24844	0.1
451.23416	0.2
483.22498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.1
57.03336	5.4
59.01264	13.8
61.98717	52.3
71.01272	33.3
71.52480	2.0
72.99205	10.7
75.00770	31.5
78.95802	4.8
83.01248	8.9
85.02854	4.7
87.00782	11.8
89.02366	3.8
96.99253	1.7
97.02864	2.5
99.00784	21.5
101.02368	3.1
108.02074	3.2
109.02882	1.6
111.00783	14.5
112.98724	62.5
113.02352	2.5
113.99125	2.3
115.00290	21.5
117.01851	4.5
121.02859	5.3
123.04464	1.8
124.98750	5.1
125.02367	1.7
125.09628	6.7
129.01810	3.5
135.02934	27.5
138.03107	1.9
139.00357	2.0
141.12863	1.8
142.99805	100.0
144.00180	2.9
145.01343	4.6
149.09648	2.9
151.11247	2.0
152.99530	6.0
165.12817	3.0
171.10225	8.9
173.00894	45.0
174.01692	29.4
175.02446	31.1
175.07637	2.3
177.09193	4.0
178.06308	1.9
185.11801	7.4
190.57446	1.6
191.05597	3.7
193.08643	2.6
207.10204	2.2
209.11754	3.7
225.11324	5.5
229.05472	1.9
247.20723	4.3
259.20746	2.2
291.19781	25.5
292.19815	3.2
293.21265	5.0
303.19653	12.1
309.20825	42.5
310.21091	6.2
321.20776	28.3
322.21152	4.1
343.19339	3.9
347.18646	8.4
361.20520	4.6
365.19717	7.7
422.05579	1.8
423.20477	3.6
465.21051	2.3
483.22485	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	483.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23564	2.2
55.01783	2.2
57.03344	5.0
59.01275	19.5
61.98706	8.1
68.02422	3.6
69.93985	11.0
71.01268	23.9
72.63291	2.4
72.99201	79.7
75.00365	4.8
75.00770	72.8
78.95757	3.4
80.02581	4.1
83.01284	2.8
85.02863	3.4
87.00769	10.7
89.02358	6.6
89.86250	2.9
95.04931	5.7
97.02857	3.5
97.06504	5.6
99.00793	16.5
101.02367	3.7
104.28584	2.1
104.29361	2.4
105.55325	2.8
108.89069	2.4
111.00799	3.9
111.08071	3.5
112.98711	14.2
115.00281	16.0
117.01853	20.9
121.02879	5.7
121.06509	2.9
124.98740	5.4
125.09673	19.1
127.11195	2.9
133.10190	4.7
135.01935	5.2
135.02934	93.8
135.08089	3.4
136.03281	3.7
136.05203	3.1
137.02365	3.1
139.03943	3.6
141.12819	4.3
142.99814	37.6
149.06062	3.3
149.09653	8.3
151.11221	10.0
152.99562	2.8
154.04050	3.3
156.00621	3.2
163.03864	2.3
163.11206	5.0
164.11644	2.8
165.09244	3.0
165.12776	6.9
171.10242	20.6
173.00890	17.3
175.02530	12.8
175.03735	3.6
175.07632	3.6
177.09193	6.2
178.06290	4.4
181.12202	3.0
185.11821	23.9
189.09315	3.7
191.10814	3.3
192.12807	2.3
207.10260	10.3
209.11783	4.3
225.11330	13.8
243.12370	5.4
247.20659	6.0
259.20755	8.0
277.21780	3.6
281.29028	2.3
284.69910	2.5
291.19708	36.3
292.20221	3.9
293.21277	19.8
294.21420	2.8
303.19788	37.7
304.19888	5.1
309.20816	68.6
310.21167	6.4
321.20770	100.0
322.21027	12.8
337.20126	4.2
347.18707	25.7
348.18991	3.8
355.45465	2.7
361.20251	12.3
365.19809	50.9
365.40775	2.5
366.20065	8.7
383.20767	9.8
423.20264	10.2
465.21185	14.3
483.22397	13.9
484.23007	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	483.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.1
59.01266	0.6
67.01786	2.5
70.92229	0.6
72.99203	1.0
78.95370	0.2
78.95788	0.9
80.91587	0.6
83.01278	0.2
85.02845	2.2
87.00779	5.2
93.03362	0.5
99.00795	0.2
101.02341	0.3
109.02852	0.2
111.00794	100.0
112.01137	3.0
123.04433	0.2
125.09731	0.3
129.01909	0.3
137.56740	0.2
146.93764	0.2
152.99530	0.7
153.12808	0.2
154.99832	1.6
173.00882	12.4
174.01276	0.5
191.05580	7.7
192.05954	0.3
203.96031	0.8
247.20721	0.2
255.88075	0.2
260.54129	0.2
291.19778	1.3
309.20798	5.3
309.24326	0.4
310.21118	0.6
338.66006	0.2
423.17316	0.3
428.66949	0.2
457.20612	0.4
483.21744	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.6
59.01266	0.5
61.98725	0.5
67.01779	2.3
69.20844	2.1
69.21257	0.4
71.01273	0.6
72.99191	0.6
75.94759	0.2
78.95795	0.3
81.03330	0.3
83.01286	0.6
85.02849	3.6
87.00780	0.9
93.03362	3.1
96.95898	0.3
99.00754	0.3
101.02358	0.6
109.02847	0.5
111.00796	100.0
112.01143	2.6
117.87771	0.2
124.17277	0.2
127.03923	0.4
137.02420	0.6
152.99527	0.3
154.99797	1.8
157.05023	0.4
173.00879	12.0
173.04509	1.4
174.01271	0.5
191.05591	19.8
192.05971	0.7
247.20892	0.3
291.19720	1.4
292.19934	0.2
293.21161	0.2
309.20810	4.1
310.03668	0.2
310.21130	0.5
455.36768	0.2
457.20599	0.8
483.26163	9.7
484.26712	1.5
496.37671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03085	0.2
57.03343	1.9
61.58368	0.2
67.01788	2.6
70.01609	0.2
70.45197	0.6
84.39704	0.1
85.02861	1.0
87.00777	6.2
90.13237	0.1
111.00799	100.0
112.01131	2.8
112.10324	0.2
129.01846	0.5
132.55342	0.2
154.99843	0.5
173.00885	9.6
174.01218	0.3
198.36266	0.2
236.05527	0.1
291.19839	0.4
309.20740	0.8
369.81833	0.1
483.22351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.168
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	2.1
59.01267	67.6
60.01604	1.3
61.98718	11.9
69.03317	1.2
69.39301	6.3
69.39724	2.7
71.01273	30.0
71.01665	1.9
72.99194	2.7
73.02840	3.2
75.93236	0.9
78.95789	1.5
83.01273	1.6
85.02840	5.6
87.00770	3.5
89.02342	41.0
89.02902	2.0
90.02676	1.0
95.01284	2.8
96.95927	11.9
97.02766	0.9
99.00760	1.8
101.02351	14.4
107.01277	1.4
108.02070	2.5
108.86398	0.9
109.02870	6.1
113.02369	13.6
117.40916	0.9
118.02874	1.4
119.03423	14.1
123.00813	1.9
123.04431	1.0
124.01633	1.2
125.02380	2.7
131.03435	3.1
131.08214	1.5
135.00813	8.2
137.02400	1.0
139.03952	1.7
140.56226	0.9
143.03493	4.9
146.02403	7.1
147.03210	23.5
147.67342	0.9
149.04451	2.2
152.01082	1.5
153.01880	5.3
154.06161	1.2
161.01126	4.2
161.04503	6.5
162.01926	100.0
163.02333	5.0
163.03729	0.8
165.31279	0.9
171.21599	1.0
173.10338	1.5
176.03523	1.7
177.01837	1.4
179.05580	21.0
179.07143	1.3
185.04781	1.7
189.01869	1.9
190.02272	1.5
213.08075	1.0
215.07051	5.4
217.01379	1.2
218.01817	1.3
224.07166	1.9
237.04131	2.4
240.06740	1.8
242.08289	7.0
264.05157	3.9
297.06287	8.9
324.07266	9.2
325.07874	1.8
372.08179	2.7
399.24612	1.0
421.21121	1.1
422.21326	3.4
423.22263	2.1
482.11655	2.8
482.17499	2.3
483.09714	1.7
483.18390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50554	2.1
51.67093	2.2
53.00207	2.3
57.03333	6.2
58.11154	2.0
59.01274	15.6
61.45241	2.3
61.98719	59.8
68.02430	15.2
69.40404	19.4
71.01273	40.9
71.28826	2.2
72.99201	13.9
73.02860	2.8
75.00761	32.4
76.12394	2.1
77.40531	2.3
78.95792	7.7
83.01290	10.3
85.02856	8.4
87.00780	14.0
93.03385	2.8
96.95872	2.9
99.00792	17.6
101.02379	6.5
111.00793	16.0
112.98727	59.4
113.02357	4.4
115.00282	20.0
117.01881	3.5
121.02886	3.8
124.98735	6.2
125.09690	5.7
129.01901	2.8
135.02950	24.6
135.08116	8.7
142.99808	100.0
143.04610	2.3
145.01431	3.6
149.09641	2.4
152.99538	7.4
154.99948	2.8
161.04486	3.6
163.11282	2.6
168.58994	2.7
171.10233	9.6
173.00876	40.4
174.01685	27.3
175.02431	24.5
185.11778	6.2
194.83604	2.3
207.10281	3.6
209.07295	4.7
225.11392	5.5
235.89377	2.5
255.03078	3.2
259.20679	5.1
291.19736	21.4
293.21210	6.6
295.19177	3.0
303.19681	15.4
309.20807	36.7
310.21234	5.0
321.20853	29.3
322.13733	2.8
325.20306	3.0
329.17731	3.1
343.19232	3.4
347.18732	9.9
361.20325	4.6
365.19824	5.6
401.13773	3.0
423.20483	3.8
429.25101	2.8
465.21854	2.7
483.23358	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	481.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27154	0.5
68.88578	0.6
69.52212	4.6
78.95795	37.5
96.96864	2.9
98.20509	1.3
150.97966	0.6
152.99535	56.1
153.99904	1.0
171.00607	14.9
178.69865	0.6
227.03273	4.4
245.04361	100.0
246.04735	2.9
253.21783	61.8
254.22125	6.8
296.29095	0.7
481.25842	50.0
482.26254	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	481.3335
Annotation	Complanadine A
Peak:m/z	Relative Intensity
71.62581	1.0
78.95806	0.6
81.03337	0.9
91.05447	0.8
93.03377	0.9
109.02880	0.5
117.03397	1.9
120.27539	0.5
122.03661	9.4
123.04352	0.7
123.77911	0.5
135.03412	1.1
135.04440	18.2
135.05435	1.0
136.05025	1.0
137.02367	0.8
145.02904	6.9
149.06046	3.0
152.99445	0.7
161.06055	0.5
163.07622	1.3
175.07539	0.6
177.09230	0.7
191.10756	0.9
205.12263	0.6
219.13940	0.7
245.04373	1.0
251.20667	0.5
251.23691	0.5
253.21848	0.8
275.20099	0.7
289.21753	1.3
321.45572	0.5
335.26056	1.7
355.26691	0.8
369.27771	0.8
369.31894	0.7
395.33459	1.2
411.32617	0.9
412.26523	1.4
413.27084	4.9
414.27435	1.0
421.31549	0.7
425.27234	1.4
437.34406	3.2
438.34726	0.7
439.32437	6.1
440.32697	1.0
461.21719	0.6
481.33469	100.0
482.33777	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	481.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	4.2
58.00481	3.4
59.01268	100.0
60.75545	1.4
61.98718	9.0
69.47290	11.3
71.01276	61.3
71.62139	1.3
72.99197	16.7
73.02839	9.2
75.00768	10.3
83.01292	3.7
83.04924	1.4
84.02055	1.4
85.02853	17.0
87.00774	6.8
88.98695	5.8
89.02341	58.6
90.01890	4.0
91.00267	29.3
94.30673	1.7
95.01286	4.7
96.95930	2.8
97.42670	1.3
98.19710	2.4
99.00795	4.1
101.02354	38.0
109.02866	1.4
111.00861	1.5
113.02365	24.1
119.03439	23.5
123.00830	2.2
123.04435	6.3
125.02361	7.9
129.01840	1.7
137.02377	2.9
137.06000	2.2
138.85249	1.3
139.00305	2.8
139.03990	4.9
143.03459	3.6
151.00313	2.4
152.01131	2.0
153.01854	3.7
153.05519	4.6
153.09105	2.8
161.04529	11.3
163.92612	1.4
166.05035	2.8
167.03529	2.4
169.05037	3.3
172.05029	1.4
173.46246	1.5
175.00337	3.8
178.99788	2.7
179.05588	13.5
183.03000	3.8
191.03448	1.9
191.05727	1.5
193.01402	12.8
201.11316	3.0
205.12291	6.7
209.11891	7.4
215.03484	2.3
215.07217	1.4
223.13397	8.0
231.10295	1.8
241.14441	3.3
261.38599	1.4
271.02338	1.6
273.03064	1.9
301.03729	5.1
316.02298	3.9
317.02698	3.1
318.02985	8.1
319.04440	2.9
327.07254	2.6
421.20895	14.2
481.08472	13.7
481.26715	3.5
482.09729	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	481.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33032	1.6
57.03349	1.9
58.00480	2.7
59.01271	46.4
61.98716	3.8
71.01279	31.1
71.55376	1.9
71.55728	1.9
72.99198	17.9
73.02829	6.1
75.00777	7.8
78.95786	2.2
79.95623	1.6
80.96432	1.6
83.01291	3.5
83.04929	3.1
85.02854	13.7
86.57822	1.6
87.00790	4.5
89.02356	18.7
90.01889	2.4
91.00276	30.0
95.01282	2.7
95.04967	1.8
96.95940	6.3
97.02842	2.7
99.00771	3.5
101.02351	17.5
109.02866	4.9
112.64918	1.3
113.02367	11.3
113.05965	3.5
119.03435	5.7
121.02868	3.1
123.00811	3.9
125.02397	7.5
127.11208	3.9
131.36673	1.6
135.00829	2.1
137.02390	3.0
137.05951	2.0
139.03984	2.6
147.03264	1.8
149.02368	3.1
151.00340	3.0
151.04077	2.2
151.07558	4.1
152.01123	2.7
153.01880	5.3
160.72739	1.5
161.02388	1.8
161.04483	9.7
162.01964	11.0
163.11281	3.0
165.09151	17.3
177.01894	4.2
179.05571	7.5
191.03473	1.9
191.05537	1.9
193.01389	2.1
199.09790	1.5
201.11337	53.8
201.13213	2.8
202.11639	3.3
209.11841	100.0
210.12152	7.4
214.02719	2.8
215.07159	4.5
215.75841	1.7
227.12907	19.4
230.07668	1.7
231.86238	1.8
242.08218	5.0
253.09351	30.3
259.02448	3.7
261.18997	1.5
271.02499	5.1
272.02414	3.8
273.03067	8.1
287.02032	4.3
288.02542	1.8
289.02539	4.3
301.12042	2.3
303.27536	1.8
316.02277	7.0
317.02664	6.8
318.02930	18.4
319.03696	3.4
319.08447	2.6
334.63748	1.7
421.20358	2.4
437.20364	2.2
460.62756	1.8
481.08698	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	481.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32690	1.8
57.03337	4.8
59.01265	100.0
60.01610	2.4
61.98703	2.9
69.03375	2.2
69.33076	1.9
71.01266	44.2
71.53671	2.0
72.99200	29.2
73.02847	7.5
74.37675	1.8
75.00766	11.7
78.95794	2.0
81.03345	2.9
82.20701	1.8
83.01277	4.3
85.02838	24.1
87.00764	6.7
89.02330	34.1
90.01853	6.1
91.00264	48.4
95.01279	3.7
96.95901	9.6
96.96873	3.5
99.00774	4.3
99.04428	2.4
101.02357	29.4
101.05986	2.8
109.02876	5.1
109.06491	3.0
113.02364	20.8
113.05989	2.3
119.03433	11.1
122.03607	2.4
125.02378	2.8
127.07576	6.4
137.02400	4.7
141.09160	2.7
143.03418	2.4
150.06729	2.1
151.00299	2.2
151.07568	15.7
152.01004	2.4
153.01891	2.5
153.09120	2.4
155.10744	2.0
161.04510	15.9
162.69685	1.7
163.11197	3.4
165.01822	1.8
165.09172	30.2
166.09538	3.1
179.05516	10.6
191.27667	1.9
201.11330	18.8
205.12349	3.4
207.13976	2.0
209.11829	36.0
210.12186	2.7
215.07129	2.5
216.07762	1.9
227.12888	4.7
253.09352	7.5
331.97150	2.0
421.21005	5.0
481.13864	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	481.2221
Annotation	Dulciol C
Peak:m/z	Relative Intensity
57.11588	0.2
59.01281	0.2
61.98706	0.5
62.96291	0.4
71.34045	0.3
72.63856	0.2
73.02838	0.2
78.95795	60.0
84.64394	0.1
94.16599	0.2
96.96868	7.1
96.97501	0.4
129.09119	0.5
136.05251	0.4
150.97946	2.3
152.99527	100.0
153.99867	2.0
165.09137	0.4
171.00598	5.1
171.10156	0.2
185.11803	0.7
191.76529	0.2
197.11824	0.6
251.73036	0.2
291.19666	0.3
327.21945	0.5
355.98901	0.2
463.20914	0.2
481.22177	25.7
481.34662	0.7
482.22528	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	479.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72997	0.9
57.03321	1.6
58.00467	0.9
59.01268	19.7
60.50830	0.9
60.99189	0.9
61.98707	4.0
62.09185	0.9
63.02296	2.3
65.00195	1.4
68.31557	0.8
68.71841	0.8
71.01273	13.5
71.04898	1.5
71.52257	1.3
71.52637	0.8
72.01611	0.9
72.99205	3.3
73.02836	3.1
73.29387	0.8
74.02367	2.2
75.00760	2.2
82.65763	0.9
83.01280	3.0
83.04902	1.1
85.02842	3.5
87.00786	2.4
88.00280	1.0
88.98685	5.6
89.02333	13.3
93.03385	1.1
95.01315	1.0
96.95930	1.9
97.02859	3.9
97.06491	1.7
99.00784	24.0
101.02351	8.3
107.01281	3.1
108.02116	1.8
109.02856	3.8
109.86629	1.0
111.00768	1.1
113.02361	4.3
119.03452	1.6
121.02872	1.7
123.04438	4.1
124.01534	1.7
125.02386	2.5
125.09651	6.4
133.02892	3.0
134.03543	0.8
135.04469	2.9
137.02353	4.3
139.00304	2.6
139.03909	1.5
140.01088	1.8
149.02406	1.8
151.00310	9.5
152.01120	6.9
153.01836	2.8
153.05534	2.1
161.02423	7.8
161.04532	2.7
162.02802	1.4
163.11243	5.5
167.03474	1.1
169.01381	1.6
169.04990	1.9
171.10237	2.2
177.01900	5.9
178.99850	8.9
179.03412	1.8
181.12299	12.9
197.11769	1.7
199.13438	9.8
207.10239	25.5
208.10715	2.2
225.11331	52.6
226.11630	4.8
227.03427	1.8
243.09854	1.9
243.12405	35.3
244.12811	2.4
251.05461	0.8
253.09328	2.7
255.02974	1.3
255.11404	4.5
256.03796	1.0
271.02472	2.2
284.03506	2.1
287.02045	1.6
299.05536	5.9
313.07285	1.0
316.02261	5.6
317.03055	10.1
317.06726	2.1
317.10550	1.5
318.03430	1.5
329.10330	2.9
357.63547	1.0
419.18997	1.7
430.45831	1.0
461.20752	2.0
479.08255	9.1
479.14081	4.1
479.21429	100.0
480.21701	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	479.318
Annotation	Kermadecin E
Peak:m/z	Relative Intensity
50.13186	0.3
57.74305	0.3
59.01263	0.7
59.28580	0.3
61.98722	0.5
67.23929	0.3
69.55632	0.3
71.62618	0.3
71.63010	0.3
72.85532	0.3
77.47388	0.3
81.03364	1.1
83.04958	0.3
91.05446	0.9
92.31190	0.3
93.03381	0.4
107.04874	0.3
109.02888	0.5
117.03387	2.5
117.76733	0.3
119.04961	1.2
121.02902	0.4
122.03660	9.6
123.04427	1.1
125.02377	0.5
135.04453	23.2
136.05043	0.9
137.02371	0.8
142.28174	0.3
145.02895	9.3
146.03258	0.4
147.04449	0.7
149.06032	3.8
149.09613	0.3
150.06845	0.9
161.06013	1.4
161.09631	0.4
163.04012	0.7
163.07576	2.9
175.07666	0.8
177.09192	1.3
189.09242	0.7
191.10760	2.8
203.10768	1.0
206.33327	0.3
214.48492	0.3
214.96268	0.3
217.12349	1.9
218.12953	0.4
219.13986	0.3
231.13951	1.3
245.15469	1.1
245.87418	0.3
246.16165	0.3
259.17087	1.7
273.18787	0.9
285.22672	0.4
287.20267	2.1
291.23135	0.3
292.65976	0.3
309.88528	0.3
325.25354	0.7
333.24500	1.4
334.24936	0.4
341.25067	0.5
348.60867	0.3
367.26492	0.5
367.30484	0.6
369.24475	0.5
371.25638	0.4
379.26425	0.4
393.31894	0.9
395.29865	0.4
409.24164	0.4
409.31256	0.9
410.24741	0.9
411.25485	4.9
412.25623	0.7
419.29620	0.6
423.25681	1.3
435.32968	3.1
437.30753	5.4
438.31229	1.2
464.24780	0.3
479.31912	100.0
480.32251	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	481.1364
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
57.03321	0.9
59.01264	3.9
61.98715	0.8
65.00201	1.1
67.01778	1.0
68.99703	2.1
69.93297	1.4
69.93711	1.9
71.01272	9.1
72.99207	1.0
73.02848	2.3
78.05004	0.6
81.03352	0.7
83.01280	3.7
85.02848	3.7
87.00800	1.3
89.02366	1.4
92.48446	0.5
93.03364	0.9
95.01293	6.8
96.99213	0.8
97.02848	1.3
99.00785	2.4
101.02365	4.1
105.11097	0.6
107.01313	2.6
108.02098	1.6
109.02874	3.1
110.00024	1.9
111.00800	5.7
112.98741	1.8
113.02363	3.0
116.97279	0.6
117.76853	0.6
121.02883	7.0
123.00803	75.9
123.04456	2.0
124.01610	32.1
125.02409	5.9
125.99545	1.3
127.00300	5.3
135.04422	0.8
136.98729	3.8
137.02380	9.8
137.99547	0.6
138.03160	25.6
139.00305	11.2
139.03954	24.0
140.01112	1.0
140.04315	1.1
141.01865	0.7
149.02466	1.0
149.99545	2.2
151.00340	2.1
152.01080	2.9
153.01875	8.8
153.05493	6.6
154.02664	5.4
155.03441	2.9
157.31277	0.6
161.02419	0.8
161.04602	1.3
166.02707	1.4
166.99849	4.4
167.03439	5.1
168.00578	6.6
168.04240	0.6
169.01375	2.0
169.05032	2.3
174.06874	0.6
177.01936	1.8
181.01340	4.0
181.05043	1.7
182.02199	14.9
183.02959	15.0
189.01935	0.6
191.03569	1.0
191.05608	1.6
193.01460	1.3
195.02977	5.9
196.03792	2.1
197.04529	22.9
198.04842	1.1
217.01370	0.9
219.03123	0.9
225.04007	1.3
242.08330	1.0
255.05182	7.6
295.69446	0.6
296.05438	1.2
299.07846	1.0
311.04291	1.1
311.07773	9.5
312.05051	1.2
312.08295	1.4
315.07196	1.5
326.06540	3.8
327.07300	12.3
327.10812	1.0
328.07440	1.1
341.08847	35.8
342.09180	4.6
466.11469	2.8
481.13818	100.0
482.14194	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	479.2065
Annotation	N-Methylstaurosporine
Peak:m/z	Relative Intensity
54.78178	0.1
57.26936	0.2
59.00989	0.3
59.01266	3.6
60.01600	0.2
61.98720	0.8
62.96272	0.2
65.72992	0.1
69.87421	0.7
71.01286	1.2
71.53561	0.1
73.02857	0.2
74.54142	0.2
78.95795	56.3
85.02827	0.3
89.02341	0.3
95.01292	0.4
96.95900	0.4
96.96867	6.2
98.20616	0.3
101.02355	0.4
104.28572	0.2
106.06560	0.4
107.01240	0.2
108.02112	0.4
109.02892	0.8
110.03175	0.3
113.02357	0.4
119.03428	0.2
123.00806	0.3
125.02357	0.6
146.02496	0.2
150.97977	1.6
151.00330	0.6
152.99529	100.0
153.99860	1.6
161.04597	0.2
163.03964	0.2
171.00598	5.0
171.10153	0.2
173.06017	0.8
176.04707	0.2
177.05534	0.5
178.52864	0.1
179.10690	0.3
186.12895	0.2
190.02646	0.2
191.03445	0.2
191.07109	0.3
197.11928	0.2
201.05582	1.0
209.11862	0.7
219.06599	1.3
220.07416	0.3
225.11354	0.3
226.07503	0.2
230.11961	0.4
242.05792	1.2
255.03156	0.3
255.11440	0.5
257.08249	1.3
274.10941	0.5
299.10495	0.3
307.19296	0.4
316.12354	0.2
317.11081	0.4
317.14093	0.6
325.20499	0.3
346.44534	0.2
382.12842	0.4
421.29486	0.2
461.19659	0.2
479.20642	22.9
479.32065	0.7
480.20959	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	479.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.5
61.98716	1.8
61.99837	0.3
64.77718	0.3
69.27529	2.9
71.01272	0.5
78.95798	64.5
79.31082	0.3
95.96085	0.9
96.95928	0.6
96.96869	9.4
122.98473	0.6
146.02408	0.4
150.06812	0.7
150.97935	2.1
152.99535	100.0
153.99869	1.7
171.00603	5.5
171.10243	0.4
176.57515	0.4
201.11461	0.3
207.10251	0.4
209.11674	0.4
217.00270	0.6
225.11360	0.5
230.44717	0.3
461.20157	0.5
479.08829	0.3
479.20596	2.9
479.37723	0.8
480.21542	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29166	0.5
59.01266	9.3
71.01281	4.1
71.14063	0.5
71.36513	1.3
77.09828	0.5
78.95773	0.9
80.96397	0.8
82.31383	0.5
85.02847	1.2
87.00774	0.8
89.02355	2.8
93.03378	0.8
95.01320	0.6
96.96865	1.1
98.54021	0.6
101.02354	1.8
113.02347	0.6
119.03416	0.6
120.99533	0.9
135.02957	0.9
137.02354	1.1
143.04959	0.6
153.01741	0.5
155.04985	1.2
171.04424	4.3
182.03679	1.2
183.04495	2.9
191.05626	4.1
198.03044	0.9
199.04016	6.9
209.02426	0.9
210.03175	1.0
215.03560	0.9
226.02751	5.2
227.03500	51.4
228.03905	3.2
237.01990	0.6
242.02315	1.4
253.01477	3.2
254.02087	0.9
255.03029	100.0
256.03397	10.0
270.01801	6.1
281.00790	1.1
285.04214	0.6
299.02084	2.7
313.03571	0.8
327.13577	1.1
341.03033	2.3
345.14563	2.1
398.13382	0.6
435.09232	1.6
461.07358	12.8
461.13910	0.9
462.07538	1.5
479.08151	8.4
480.08575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	8.0
61.98726	4.3
61.98990	1.1
66.71897	0.8
69.03319	0.9
69.19292	0.9
69.19624	10.0
71.01268	10.9
72.99194	1.4
73.02827	2.0
75.34231	0.7
78.95804	7.4
81.03323	1.3
83.01272	0.8
85.02837	6.4
87.00761	1.1
88.00198	0.8
89.02336	4.4
92.61292	0.7
93.03350	0.8
95.01286	3.0
95.04936	1.0
96.95911	2.9
99.00791	0.9
101.02367	5.3
108.02090	10.9
109.02255	1.2
109.02884	14.6
111.00781	1.8
113.02364	4.0
116.25450	0.8
119.03429	1.5
119.04912	1.3
120.92215	0.8
121.02869	3.2
121.06513	2.2
123.00811	7.8
124.01550	2.8
129.07047	2.6
131.04901	1.1
131.45609	0.8
133.06514	2.2
134.03659	1.0
135.04448	2.1
136.05208	1.1
137.02386	1.6
137.05898	0.9
139.03967	1.1
145.02882	1.9
145.06500	7.4
146.03691	3.9
147.04372	1.1
147.08087	1.8
149.05997	2.7
152.99509	10.2
153.07928	0.8
158.03679	9.6
160.01564	1.3
160.05220	1.1
160.30165	0.7
161.01129	1.5
161.02397	1.9
161.04488	2.9
161.05980	1.9
162.03204	1.5
163.03978	6.3
163.07538	3.0
165.05438	0.8
171.04411	1.1
171.08070	0.8
171.10210	0.8
173.02460	1.8
173.06041	57.1
174.03152	2.7
174.06424	4.1
174.82300	0.7
175.03920	3.1
175.07584	4.1
176.04747	13.3
176.08009	0.9
177.05540	39.6
177.57770	0.8
178.05859	1.9
181.12280	2.9
186.03218	2.6
187.03992	2.0
189.05510	1.5
190.02690	12.4
191.03455	8.4
191.07108	8.0
192.03975	0.9
192.07802	2.0
200.01851	0.9
201.05560	100.0
202.06071	11.7
203.07028	3.2
204.07863	2.7
205.08687	2.4
213.31906	0.7
215.07207	1.5
218.05789	1.0
219.06633	94.9
220.07368	35.7
221.07874	2.5
225.11327	2.6
232.07365	1.7
233.08133	2.0
233.11845	1.6
245.11877	2.7
255.02972	1.3
270.09015	1.1
271.13333	1.8
273.11353	2.6
288.13754	2.3
289.14487	3.5
299.13101	1.4
316.02374	1.6
317.14014	33.0
317.26868	1.5
318.14297	3.2
382.08069	1.6
382.12778	24.8
383.13098	2.9
419.26425	1.1
435.29675	1.1
443.14865	1.2
479.08591	1.8
479.19504	16.4
479.32370	7.6
480.19785	1.8
480.33167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03364	0.2
58.00493	0.2
59.01261	3.3
61.01697	0.4
61.98719	100.0
70.31666	0.2
71.01272	2.2
71.53888	0.4
72.01637	0.5
72.99211	1.0
73.02841	1.0
75.00779	1.3
78.95782	0.3
80.04967	0.3
83.01294	0.6
85.02859	0.8
86.03196	0.3
88.12231	0.2
89.02356	0.7
94.31542	0.2
95.01293	0.2
96.95914	0.5
97.02834	0.3
101.02345	1.5
102.02694	0.5
103.02795	0.3
109.02935	0.2
113.02390	0.8
114.02699	0.4
119.03470	0.3
121.02876	2.9
124.01601	0.3
125.02359	0.6
132.04503	0.7
134.25833	0.3
150.05569	1.8
151.00298	0.3
153.01938	0.3
161.04538	0.4
163.05052	0.2
165.01924	0.4
171.10236	0.5
188.07140	0.5
190.05403	0.2
194.04539	1.2
214.02579	0.2
214.04617	0.2
218.21422	0.2
225.11334	0.5
226.02383	0.4
227.03517	0.8
243.02802	0.5
244.03349	0.3
253.01523	0.3
253.09338	0.4
255.03053	2.0
269.10419	0.6
270.01358	0.3
270.10748	1.2
271.02603	0.7
271.10968	0.9
272.02896	0.6
272.11221	0.7
287.01999	0.3
316.02188	0.7
316.08911	0.3
360.08041	0.2
365.46030	0.2
416.16571	0.9
417.16821	0.9
418.17010	4.5
461.06970	0.3
478.07666	1.9
478.14017	1.1
479.08417	1.0
479.25247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32742	0.2
69.25591	1.3
69.26004	0.7
78.95793	5.1
97.47369	0.2
102.80691	0.2
117.18407	0.2
140.01128	2.0
152.99519	0.8
154.72275	0.2
196.03773	1.0
214.04877	3.1
227.12595	0.2
262.32489	0.2
281.24915	100.0
282.25272	13.1
282.28531	0.3
478.29486	13.0
479.29901	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	479.0844
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
63.02287	0.6
65.00217	0.7
65.04252	0.4
69.38715	0.5
70.36800	0.9
70.37227	1.5
83.01252	0.4
87.00777	0.7
99.07254	0.4
107.01295	3.1
109.02872	0.8
124.01594	3.9
135.00818	1.2
136.01640	1.0
137.02383	3.8
148.01624	0.8
151.00334	8.3
152.01077	1.5
163.00328	1.5
164.01141	2.6
165.01755	0.7
169.01445	0.7
176.04822	0.4
177.01942	0.5
178.99832	7.6
180.00127	0.5
187.03928	0.6
189.01932	0.6
192.00624	0.9
203.03465	1.7
204.04227	1.0
214.02699	10.5
215.03252	1.1
227.03496	2.0
231.02896	0.5
232.03799	0.7
242.02237	9.6
243.03011	6.2
244.03598	0.9
255.02960	0.6
259.02505	10.9
260.03036	1.3
270.01764	9.0
271.02539	58.6
272.02908	5.1
287.02048	31.3
287.05377	0.8
288.02472	5.8
299.02087	0.7
315.01572	0.6
316.02307	100.0
317.02893	19.6
318.03476	1.1
447.13376	0.5
479.08429	45.6
480.08783	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	478.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47883	0.7
57.03336	3.4
57.75965	0.8
59.01262	3.1
61.98719	100.0
63.02301	1.0
65.00210	1.4
66.09206	0.8
69.64948	3.0
69.65363	2.2
71.01271	3.1
72.99213	1.2
75.61201	0.8
81.03336	1.8
83.01285	2.2
83.04926	2.3
85.02867	0.7
88.98719	1.1
93.03354	0.9
95.01301	1.4
107.01283	3.6
108.02076	1.1
109.02859	2.2
109.99994	1.3
110.03255	1.1
113.02357	1.0
113.99403	0.7
121.02877	2.0
122.03158	1.0
123.00745	1.4
124.01585	1.4
125.02374	69.0
125.05997	9.8
126.02695	3.3
135.04474	1.2
139.00305	1.4
139.03886	1.1
142.22040	0.8
149.02408	5.2
151.00323	10.0
152.00929	3.7
153.01884	1.4
161.02361	1.9
163.00351	1.4
165.99007	1.2
167.06981	0.9
169.01404	1.9
175.02466	0.8
178.99847	6.6
180.00172	1.9
187.03949	1.7
203.03497	1.6
209.57860	0.8
213.01762	0.8
215.03514	1.0
231.02951	1.1
240.09569	0.8
242.02161	1.2
243.02977	2.1
253.07214	59.9
254.07559	3.4
256.03378	1.2
259.02533	2.4
271.02527	2.5
280.46432	0.9
287.02048	7.5
288.02383	3.7
301.03595	13.8
302.03958	28.7
303.01181	1.6
303.04248	2.1
315.01508	8.8
316.02298	2.3
328.12527	1.2
331.01175	5.0
332.01801	9.2
333.02551	2.4
392.30814	0.8
415.12561	18.4
416.12933	2.2
435.09067	1.0
461.07480	1.6
478.06287	7.0
479.08322	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	477.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00496	1.8
59.01267	100.0
61.98714	5.4
70.76739	4.5
71.01273	16.0
72.99202	3.4
73.02840	6.7
75.00763	1.8
83.01283	3.7
85.02859	9.9
88.98686	2.7
89.02325	3.8
99.00763	1.9
100.63282	1.5
101.02354	12.4
102.86818	1.6
103.90905	1.8
109.02847	2.5
113.02367	5.6
119.03465	3.1
121.02867	2.4
125.02366	4.4
135.04478	2.0
149.83788	1.6
153.01871	3.9
161.02429	1.9
161.04495	7.6
166.06303	25.7
167.07034	1.7
179.03368	2.1
181.08656	41.6
235.08362	2.1
271.02609	1.7
315.55420	1.7
343.14044	80.3
344.14551	7.5
397.90176	1.5
417.17697	14.1
418.18234	2.2
477.06567	2.1
477.12927	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	477.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01567	3.3
61.98716	57.5
68.34100	3.6
71.01273	63.4
71.61943	4.3
72.01619	4.1
72.99201	61.6
73.02827	7.0
75.00766	19.4
80.04966	5.7
81.08500	3.3
83.01267	5.2
85.02853	13.3
87.00755	11.8
88.98718	17.6
89.02338	60.3
90.01869	10.2
91.00274	95.0
92.00639	3.0
95.01325	5.3
97.02852	3.9
99.00744	6.2
101.02351	24.7
113.02357	17.5
119.03391	21.9
122.06056	5.9
123.00756	3.5
124.01603	4.6
125.02340	9.8
132.04465	12.4
139.04025	3.3
143.03430	5.9
150.05525	35.4
153.01834	8.4
154.02658	4.4
161.02489	3.7
161.04477	8.9
167.03473	3.7
169.05005	11.0
179.05565	19.0
188.07045	5.2
194.04561	23.4
201.09201	3.9
208.06134	4.3
219.10306	7.5
225.01862	10.9
233.81790	3.2
242.02133	3.7
243.03030	11.9
253.01532	10.9
258.01663	5.5
269.00952	11.0
269.10394	5.1
270.10550	4.1
271.02505	31.1
271.10916	4.8
287.02136	6.4
297.00540	6.4
313.09299	5.0
315.01523	7.5
315.08908	6.5
415.15942	4.7
417.16797	22.7
477.06894	51.3
477.14862	5.4
478.07068	8.4
478.13696	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14597	2.4
52.90934	2.1
57.16706	2.1
59.01262	18.5
61.45315	2.3
67.11083	2.5
69.56118	2.5
71.01279	15.7
71.55874	4.0
73.02837	5.7
78.95752	2.3
83.01277	2.2
89.02336	5.6
96.87124	2.4
96.95943	2.6
101.02345	6.5
103.80431	2.4
113.02354	7.2
123.04459	4.8
169.74493	2.4
196.97772	2.6
239.23987	4.0
251.51154	2.6
255.23322	81.4
256.23672	7.1
267.23361	3.8
269.24902	100.0
270.25281	9.2
279.23215	5.9
286.01584	2.4
297.24301	14.7
298.24512	3.4
300.90137	2.5
313.23969	6.8
327.25436	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	477.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12439	0.9
58.42999	0.8
59.01268	100.0
60.01590	1.4
61.98715	7.1
69.76849	5.0
71.01274	15.2
72.99205	1.1
73.02840	5.0
75.00745	2.8
83.01290	1.9
85.02850	4.0
88.98698	6.6
89.02351	5.4
95.01299	1.4
96.95884	0.9
96.96889	1.2
98.19841	1.8
99.00768	1.6
101.02349	9.8
103.03915	2.4
107.49339	0.9
109.02847	1.3
109.06873	0.8
112.11029	0.8
113.02375	5.9
115.03925	1.1
117.13093	0.8
119.03410	1.6
121.02875	13.0
125.02386	2.3
133.05031	4.5
135.04459	2.0
147.18001	0.8
153.01871	4.0
154.02591	1.8
161.02437	1.5
161.04503	14.1
163.97583	1.0
166.06313	90.2
167.06650	5.3
168.04298	1.3
169.05075	1.7
174.14792	0.8
179.01921	0.9
181.08670	99.2
182.09019	5.8
235.08232	9.2
253.01196	0.9
271.02563	1.4
316.68311	1.0
396.12555	0.9
415.12381	2.5
417.17715	10.4
418.18079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84314	0.4
55.01754	0.5
57.03312	0.5
59.01263	6.0
61.98687	1.5
65.00202	0.8
66.32098	0.4
69.03335	0.6
71.01269	8.4
71.20296	0.9
72.99178	0.6
73.02861	2.1
75.00763	0.6
81.03342	0.5
83.01265	1.4
83.09022	0.5
85.02843	5.8
87.00762	1.2
89.02310	1.3
91.01759	1.4
93.03368	2.7
95.01283	2.8
97.02837	0.6
99.00747	1.5
101.02352	4.1
105.06951	0.4
108.02081	28.8
109.02882	21.3
110.03223	0.5
113.02357	3.5
117.03345	1.6
119.00497	0.4
119.01295	5.5
119.04916	1.1
121.02900	3.3
123.00838	2.6
123.04437	1.5
124.01590	1.9
125.02367	1.9
134.03676	1.1
135.04459	2.7
137.02382	2.1
139.03920	2.8
145.02884	4.6
146.03220	0.7
147.00826	4.6
147.04417	0.5
148.01564	0.7
149.02380	11.9
149.06017	0.9
149.99557	0.9
150.03154	2.0
151.00287	0.9
151.03911	1.3
152.01079	3.0
153.01784	0.8
159.02985	0.5
160.01620	0.9
160.99301	0.4
161.02361	1.0
161.04483	1.5
161.05760	0.5
162.03206	0.9
163.03986	3.8
164.04744	10.0
165.01874	1.7
165.05365	1.2
167.03445	1.7
168.00648	3.0
169.03793	0.6
169.05042	0.9
175.00328	38.3
175.03827	1.3
176.01112	8.7
177.01694	0.7
179.07077	1.7
188.64822	0.4
189.01929	1.2
190.02696	100.0
191.03419	18.9
192.03816	1.2
193.01372	0.9
193.04965	2.1
194.02263	0.8
195.02859	0.6
195.06664	0.6
205.05057	96.4
206.05391	6.6
207.03062	0.5
208.03807	2.1
209.04524	2.5
223.06120	9.5
224.06445	0.5
227.03601	0.5
243.03050	1.2
247.06136	0.6
251.05624	0.7
271.02563	3.7
281.06754	1.3
285.04089	0.5
287.01929	1.3
299.01993	3.9
300.02692	1.5
307.08197	0.9
314.04507	0.8
315.01477	1.0
315.05280	2.5
327.08749	1.1
330.03970	1.2
331.07010	0.8
337.09360	3.0
347.61838	0.5
353.08856	4.1
354.09186	0.5
367.10406	20.0
368.10693	2.3
447.57217	0.4
460.35132	0.5
462.12201	2.6
477.14346	95.6
478.14716	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	477.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00984	0.4
59.01266	4.8
61.98720	0.9
70.62525	0.7
71.01273	3.3
72.99200	0.6
73.02828	1.3
78.95813	0.3
79.95634	2.1
80.96411	1.4
83.01284	0.7
85.02841	1.7
87.00773	0.2
89.02353	1.2
93.03426	0.2
95.01293	1.0
95.95125	0.4
96.95916	64.9
97.02831	0.3
97.95833	0.2
97.99640	0.2
99.00788	0.4
101.02360	2.2
101.29749	0.2
108.02096	2.1
109.02868	4.3
113.02350	1.6
119.03398	0.5
122.97517	0.9
123.00809	0.6
124.92647	0.2
125.06194	0.2
135.11728	0.4
137.02406	0.4
138.97006	7.7
139.03960	0.3
143.03433	0.5
150.97006	0.7
152.99599	0.4
161.04503	0.8
161.05951	0.2
161.09654	0.4
164.98561	0.4
165.01962	0.5
168.98102	0.4
179.05606	0.4
179.07039	0.3
179.10722	0.9
180.98149	0.4
198.99173	4.2
217.60460	0.2
223.09752	0.5
232.63063	0.3
241.00281	3.7
243.03011	0.4
256.99783	0.2
259.01306	1.7
271.02597	2.0
285.04065	0.2
285.11523	0.3
299.02042	3.1
300.02695	1.2
301.11066	0.2
314.04422	3.0
315.05145	2.1
330.03815	0.4
375.14566	1.4
399.13998	0.3
417.15793	1.2
417.25003	0.9
477.18076	100.0
478.18393	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	477.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	1.0
58.13302	0.6
58.62474	0.6
59.01271	9.1
60.10244	0.5
61.98721	2.3
67.01778	0.7
69.59009	2.6
69.59435	2.1
71.01263	3.9
72.99168	0.8
73.02824	1.0
74.02329	1.0
85.02837	1.5
87.00783	5.1
88.00291	0.9
89.02359	2.2
89.18450	0.7
91.28225	0.7
97.02837	0.7
98.19791	1.1
98.81953	0.6
101.02364	1.8
102.01878	0.8
109.02880	1.0
113.02354	1.4
115.00334	1.0
116.96506	0.7
117.03400	0.7
121.02868	1.4
123.04446	43.5
124.04803	1.6
131.03700	10.4
132.02118	2.0
133.02887	25.1
134.03587	0.9
135.04460	15.3
137.02371	1.7
139.03917	1.2
145.02916	1.4
148.03987	1.5
151.00278	0.8
153.01855	0.9
153.05521	40.7
154.05908	2.3
161.02397	100.0
162.02757	5.6
167.84227	0.6
169.04993	1.3
175.02463	2.3
175.03951	1.5
177.05553	2.7
179.03473	12.8
195.83583	0.6
197.11807	0.7
212.10866	0.8
221.04565	2.7
228.10295	4.3
239.08286	0.7
246.20076	0.6
254.10663	1.9
255.11443	8.0
263.05695	0.8
271.02576	1.1
281.06680	1.6
297.11490	0.7
299.02176	1.2
300.02737	0.6
301.03662	2.6
315.10898	2.7
323.07806	42.6
324.07993	3.7
363.63812	0.7
417.16745	2.0
459.13297	1.1
477.14218	48.9
478.14789	5.8
478.26547	1.2
498.35828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72934	0.4
57.03328	0.3
57.83862	0.3
58.73769	0.4
59.01269	2.0
69.03332	0.5
71.01275	2.8
71.51795	0.7
73.02831	0.7
83.01286	0.6
85.02827	1.7
93.03355	0.8
101.02340	1.7
105.07054	0.4
108.02083	5.7
109.02877	5.2
111.00791	0.8
113.02364	1.4
117.03381	27.8
118.03674	0.6
119.01298	0.9
119.04958	7.1
120.05303	0.6
121.02854	1.1
123.00824	0.8
123.04498	0.6
124.01620	1.1
125.02326	1.9
135.04472	0.8
137.02399	0.7
137.99544	0.6
139.00308	9.0
139.03957	1.9
140.01013	0.8
145.02896	100.0
146.03241	5.5
147.00862	0.8
149.02414	2.8
149.05991	0.5
149.99542	1.8
150.03090	0.4
153.01889	4.0
154.02661	8.3
155.03426	1.6
160.01608	0.6
160.25920	0.4
163.03952	8.1
164.04797	2.0
167.03534	0.5
168.00609	3.1
168.04268	0.8
169.05020	6.2
172.03163	0.4
175.00325	7.7
175.03967	0.8
176.01137	1.8
179.07068	0.5
190.02693	21.8
191.03419	4.7
193.01540	0.4
193.05106	1.5
205.05061	25.2
206.05484	1.2
208.03880	0.6
209.04607	0.6
223.06027	2.6
247.06122	0.7
271.02579	0.7
276.82535	0.4
287.08603	0.4
299.02261	1.0
307.08307	16.1
308.08624	1.0
315.05194	0.7
331.06638	0.8
337.09567	1.3
353.09045	0.6
367.10397	4.8
368.11218	0.6
477.14328	58.2
478.14859	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	477.1412
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
50.12972	0.2
52.52640	0.2
55.01783	0.3
58.02853	0.3
59.01270	8.0
61.98720	1.4
71.01272	3.1
71.62463	0.3
72.99191	0.7
73.02831	0.8
74.02339	1.5
75.00764	1.0
82.68925	0.3
83.01284	0.7
85.02843	1.4
86.02396	0.7
87.00782	6.2
88.00310	1.3
88.98705	0.4
89.02329	1.9
91.77759	0.2
93.03347	1.0
95.04890	0.5
97.02840	0.4
99.00797	0.5
101.02353	2.3
102.01888	1.1
103.00290	0.4
103.03951	0.5
105.03387	0.4
108.02048	0.5
109.02861	1.0
111.00847	0.3
113.02378	1.6
113.59254	0.3
115.00255	0.3
117.03394	1.1
119.03445	0.3
119.04977	0.5
120.99505	0.3
121.02842	1.4
122.03661	0.4
123.04444	41.0
124.01570	0.4
124.04779	1.6
125.02388	0.8
126.80649	0.3
130.02911	0.6
131.03702	12.5
132.02110	1.0
132.04045	0.3
133.02887	23.0
134.03308	0.9
135.04456	15.3
136.04883	0.5
137.02420	1.7
137.06047	0.3
138.03189	0.5
139.03963	1.3
145.02905	1.5
147.04411	0.4
148.03998	1.3
149.05983	0.7
150.03180	0.5
151.00272	0.6
151.03943	0.4
152.01103	0.4
153.01939	0.9
153.05521	43.3
154.05872	1.9
159.04376	0.6
160.01625	0.4
161.02397	100.0
162.02737	5.2
163.03955	0.7
165.05530	0.8
169.05005	1.4
175.02434	1.3
175.04008	1.0
177.01956	0.4
177.05513	2.9
179.03462	11.7
180.03859	0.4
191.05522	0.3
195.06721	0.4
197.11920	0.5
203.03534	1.0
212.10738	0.9
213.07951	0.5
220.03903	0.3
221.04579	2.8
228.10316	5.8
229.10594	0.3
233.04611	0.4
239.08279	1.9
251.05669	0.6
254.10593	3.1
255.11421	7.7
256.11740	0.6
263.05557	0.6
271.02530	0.9
280.05844	0.5
281.06720	1.2
299.01984	1.2
300.02951	0.6
301.03586	1.8
307.08456	0.7
315.01566	0.3
315.05096	0.9
315.10892	1.9
323.07788	32.8
324.08121	3.4
331.10324	0.4
389.21896	0.5
417.16687	2.6
418.27353	0.3
459.13126	1.1
477.14133	39.8
478.14618	6.2
478.26035	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	477.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18415	0.7
59.01259	1.6
66.92187	0.7
68.82231	0.8
69.25603	3.1
69.26031	4.8
71.01282	4.8
73.02850	1.0
77.37829	0.8
83.01302	1.2
85.02852	2.4
95.01294	3.0
96.95929	0.8
98.20676	1.3
99.00785	0.8
101.02348	2.8
104.04028	0.7
107.01321	0.8
113.02382	1.4
113.57746	0.7
117.03408	1.4
121.02906	0.7
123.00805	34.3
124.01607	26.5
125.02361	1.7
132.02104	23.9
133.02924	6.8
134.03683	18.1
135.04446	2.9
137.02423	2.5
138.03169	12.3
139.02994	1.0
139.03976	11.8
147.04417	0.9
148.39970	0.7
149.06013	2.6
151.00342	2.3
153.01869	0.8
153.05519	0.8
160.01617	100.0
161.02400	20.1
162.02831	1.3
175.03972	92.0
176.04317	6.7
177.01904	0.9
178.02711	1.7
179.03464	2.7
193.05040	13.3
194.05334	1.4
199.03920	0.9
202.02716	2.6
208.14389	0.8
213.01894	2.4
214.02690	1.9
217.05119	1.5
221.04494	1.2
229.01178	1.0
230.02196	5.8
234.05461	0.8
241.01463	13.7
242.02232	34.2
243.02873	6.7
257.00970	2.4
258.01758	32.0
259.02167	4.6
269.00943	4.7
270.01755	12.7
271.02478	4.6
272.03268	7.1
273.04102	35.0
274.04367	3.7
286.01266	20.3
287.01910	4.8
287.05701	8.9
288.06116	1.3
300.02863	1.6
301.03610	29.4
302.04022	3.2
314.00879	1.3
315.01569	6.7
315.05234	4.6
316.02249	1.3
316.05939	10.1
317.06357	1.3
323.07837	9.5
324.07892	0.8
329.03091	11.7
330.03909	5.8
337.09366	27.2
338.09811	1.2
344.05438	56.2
345.06036	14.5
380.23340	0.9
387.07361	1.4
477.10593	97.7
477.14853	37.2
478.10800	14.5
478.15237	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	477.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.5
65.00224	0.2
71.27016	0.2
107.01329	0.4
108.02106	0.7
118.40489	0.2
125.59418	0.3
135.00783	0.3
145.02898	0.3
148.01611	0.8
151.00305	2.0
154.03110	0.2
163.00307	0.3
164.01080	0.4
178.99763	0.3
183.04536	0.3
199.03979	1.1
211.04083	0.3
215.03569	0.6
216.04239	0.4
226.02710	0.5
227.03482	2.1
243.03024	6.7
244.03513	0.6
254.02168	1.1
255.03040	16.3
256.03400	1.7
271.02542	35.2
272.03009	4.5
299.02072	10.7
299.04791	0.1
300.02823	100.0
301.03204	10.8
313.03503	0.4
314.04221	1.0
315.05179	88.6
316.05496	8.5
462.08060	1.8
463.08524	0.3
477.10486	39.0
478.10825	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	477.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	2.4
61.98697	0.5
69.65932	1.0
69.66348	0.7
71.01263	1.0
85.02846	0.4
85.79646	0.3
89.02343	0.6
91.40910	0.3
93.55296	0.2
98.19843	0.4
101.02336	0.7
107.01305	0.6
109.02915	0.3
113.02347	0.5
125.04221	0.2
137.02357	0.4
151.00311	2.5
155.04919	0.3
161.02382	0.4
163.00345	0.7
174.03131	0.3
175.03984	0.4
178.99814	1.1
187.03983	0.7
196.33290	0.3
199.03954	1.1
201.01877	0.7
203.03479	2.9
214.02625	0.3
215.03496	2.5
217.01373	0.5
227.03365	0.5
229.01463	0.5
230.02269	2.2
231.02991	3.7
232.03383	0.5
238.64507	0.3
241.01366	0.4
242.02267	1.9
243.03036	7.1
244.03331	0.6
245.00861	0.5
252.36971	0.3
258.01755	2.0
259.02530	9.9
259.05258	0.5
260.02933	0.9
262.42642	0.3
269.00916	1.6
270.01596	2.1
271.02524	14.2
272.02890	1.1
273.04135	0.5
274.01233	1.1
285.04172	1.6
286.01230	3.3
286.04056	0.3
287.02029	20.8
288.02423	2.1
297.00436	0.8
298.01208	0.6
299.02090	1.2
300.02881	1.3
301.03568	2.7
302.04480	0.3
313.97406	0.3
314.00525	0.7
315.01535	53.0
316.01910	5.1
328.02188	0.4
329.03113	14.0
330.03882	87.5
331.04245	9.6
344.05383	0.8
345.06235	100.0
346.06573	10.8
417.25040	1.0
447.05972	0.5
462.08182	1.8
463.08157	0.3
477.10501	33.7
478.10864	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	477.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69298	0.5
53.26443	0.4
56.97227	0.5
59.01254	1.4
61.98691	0.4
63.02312	0.6
63.51923	0.4
66.87473	0.5
69.23924	0.4
71.59589	0.7
72.83379	0.4
73.02879	0.4
83.01275	0.5
89.02429	0.4
103.76546	0.5
107.01272	0.5
133.02907	0.7
145.02881	1.7
151.00339	1.8
153.01891	0.7
161.02385	0.8
161.15732	0.5
163.00359	0.8
171.04448	0.9
175.03943	0.9
183.04504	0.7
187.03870	0.7
199.03987	4.4
201.01860	1.1
214.26187	0.5
215.03442	2.1
216.04143	0.6
226.02701	1.3
227.03572	3.9
242.02272	1.5
243.03009	14.0
244.03471	1.2
254.02318	1.6
255.02985	1.5
257.04611	2.5
258.05222	0.5
270.01807	2.4
271.02542	76.2
272.02902	6.3
285.04089	5.5
286.04785	1.6
287.02121	1.1
299.02048	100.0
300.02716	33.4
301.03168	3.0
314.04416	11.4
315.05179	55.9
316.02243	2.6
316.05518	5.2
331.04694	1.0
357.06161	0.8
462.08154	14.0
463.08456	1.7
477.10501	66.0
478.10956	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	477.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27884	0.4
59.01271	2.0
61.98729	0.4
63.02293	0.5
65.00224	0.5
70.73089	0.9
70.73429	0.5
73.02829	0.7
82.97414	0.4
83.01273	0.4
85.02866	0.6
98.66863	0.4
101.02341	0.7
105.08525	0.4
107.01325	1.5
109.02921	0.6
113.02380	0.4
117.03395	1.8
119.04980	1.0
124.01615	0.7
125.02392	1.1
133.02907	0.6
137.02348	0.6
139.00279	0.6
139.03963	0.6
143.04991	0.5
145.02893	7.5
151.00314	4.2
153.01883	4.4
154.02606	0.8
155.04991	0.6
161.02385	0.6
163.00327	1.9
163.03970	0.7
168.04221	1.1
169.01376	0.5
169.04994	0.6
171.04500	1.1
175.04013	1.1
178.99809	2.1
187.04018	1.3
189.01947	0.4
197.02457	0.5
199.03995	4.0
201.01906	0.9
203.03534	2.4
204.04044	0.6
214.02644	0.7
215.03514	4.6
216.03964	0.5
217.01299	0.6
226.02702	0.7
227.03506	3.9
227.12016	0.5
229.01498	0.5
231.03093	1.2
242.02263	7.4
243.03024	35.5
244.03400	3.1
254.02272	0.6
255.03047	1.3
257.04596	8.6
258.01794	0.4
258.04745	1.0
259.02530	4.2
260.02798	0.6
270.01724	10.2
271.02539	52.1
272.02884	5.9
285.04117	18.4
286.01654	0.6
286.04840	6.1
287.02084	8.7
287.05173	0.6
288.02524	0.7
297.57449	0.4
299.02057	33.2
300.02737	12.7
301.03357	1.5
307.08328	1.5
314.04419	37.5
315.01511	14.9
315.05127	23.6
315.08945	0.6
316.02203	6.2
316.05563	1.9
317.02393	0.9
330.03885	15.5
331.04636	16.8
332.04974	1.6
332.78174	0.4
357.06232	0.9
462.08203	3.5
477.10431	100.0
478.10840	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	477.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50937	1.2
54.90195	1.0
59.01265	5.9
61.98722	7.2
69.28271	13.0
71.01258	5.6
73.02840	1.2
85.02833	3.5
88.96161	1.0
88.98727	1.2
95.01286	2.8
96.95915	8.8
98.00623	1.2
101.02361	2.6
109.02813	1.5
113.02332	2.8
121.02831	1.1
123.00805	29.1
123.04434	1.3
123.31274	1.0
124.01592	22.1
125.02303	1.6
130.24953	1.1
132.02101	20.6
133.02940	5.0
134.03662	17.5
135.04376	1.7
137.02359	2.2
138.03133	10.9
139.03944	12.0
147.04430	1.7
149.05986	2.7
151.00282	1.8
153.05481	1.1
153.20912	0.9
160.01610	89.9
161.02391	20.8
161.04472	1.5
167.03461	2.6
175.03969	96.9
176.04312	5.9
177.05510	1.6
178.02650	3.5
179.03429	3.9
193.00754	1.1
193.05049	14.6
202.02730	3.1
213.01888	2.3
229.01399	1.5
230.02202	4.6
241.01436	12.3
242.02231	30.3
243.02893	8.5
255.03027	3.7
257.00970	2.2
258.01746	24.2
259.02237	3.6
269.01050	5.1
270.01691	9.4
271.02487	9.4
272.03366	7.2
273.00928	2.2
273.04092	35.3
274.04651	2.4
286.01297	16.0
287.01968	4.0
287.05670	9.5
299.02118	2.6
300.02847	7.4
301.03595	30.0
302.03918	2.8
307.08243	1.2
314.00470	1.4
315.01477	6.2
315.05206	16.4
316.02438	1.2
316.05856	12.3
323.07809	6.0
329.03131	11.4
330.03918	5.5
331.04343	2.6
337.09396	28.1
338.09796	3.5
344.05432	60.0
345.06009	12.5
477.10483	100.0
477.14322	33.0
478.09869	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	476.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45265	0.1
59.01265	2.6
60.01614	0.2
61.01699	0.2
61.98721	100.0
62.98425	0.2
70.11782	0.9
71.01292	0.3
75.00769	0.2
78.95823	0.4
85.02831	0.2
89.02345	0.2
96.95947	0.2
98.19871	0.2
101.02390	0.4
113.02419	0.2
152.99564	0.2
197.77249	0.1
205.03755	0.2
251.16658	0.3
252.17024	0.4
253.17253	0.3
254.17467	0.2
416.24307	0.5
417.24875	0.2
453.89673	0.2
460.09308	0.2
476.30084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67331	0.1
59.01262	0.6
69.66335	0.1
70.54892	0.4
76.75230	0.1
78.95798	5.5
91.20578	0.1
113.78233	0.1
113.79002	0.1
122.00007	0.2
130.24448	0.1
133.60904	0.1
140.01123	2.0
146.27080	0.1
152.99527	0.6
157.38380	0.1
171.00598	0.2
196.03838	1.1
211.44228	0.1
214.04855	3.3
261.22296	0.4
262.79388	0.1
279.23349	100.0
280.23697	11.4
301.09512	0.1
371.17035	0.1
476.27939	11.9
477.28314	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	476.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30750	0.2
59.01266	0.9
61.98717	3.2
62.96296	0.2
63.99142	0.6
69.33274	0.2
71.01290	0.3
71.02009	0.6
77.11947	0.2
78.95796	34.9
82.49126	0.3
96.95936	0.3
96.96882	1.4
106.73584	0.2
119.71832	0.2
122.00024	0.8
122.98465	0.2
125.02398	0.2
131.08223	0.3
140.01128	5.6
152.99533	3.9
166.02736	0.3
167.48866	0.2
171.00597	3.5
174.87735	0.2
185.40628	0.2
189.33281	0.2
192.50650	0.2
194.65518	0.2
196.03781	10.4
197.04082	0.2
214.04865	2.8
214.06822	0.3
240.20628	0.4
249.09045	0.2
261.22327	0.3
279.23352	100.0
280.23697	11.2
300.90115	0.2
347.23660	0.2
402.23727	0.3
476.27933	41.5
477.28320	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	477.0686
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
57.03336	1.5
58.67050	0.5
59.01273	6.6
61.98722	28.9
63.02285	1.8
65.00207	3.6
66.30263	0.5
69.74789	1.8
69.75220	1.6
71.01283	5.1
72.99188	0.9
73.02818	0.8
73.13680	0.5
78.45058	0.6
81.03340	0.6
83.01286	3.0
83.04939	0.7
85.02846	2.1
87.00776	1.4
88.98692	0.6
89.02337	1.7
91.01777	0.7
93.03378	0.9
95.01292	0.9
96.95934	0.7
98.20528	1.0
101.02347	1.6
103.00270	0.6
107.01291	8.0
108.02083	3.5
109.02878	7.5
111.00759	0.7
113.02392	2.7
119.01242	0.9
120.99540	0.6
121.02875	6.1
125.02380	22.6
125.06004	3.4
133.02882	1.8
135.00838	1.0
135.04475	1.2
137.02402	0.9
139.00302	0.6
139.03944	0.7
145.02898	0.6
149.02382	2.4
151.00317	30.4
152.01064	3.5
153.01895	4.0
159.04469	1.3
161.02411	5.7
163.00323	4.8
163.03920	0.6
169.01404	3.6
171.04312	0.6
175.02409	1.2
175.03931	0.7
178.99840	14.8
179.03506	0.6
184.18051	0.6
187.03983	2.1
192.00616	0.7
193.01433	0.7
197.02553	0.7
199.03979	0.6
201.05582	1.8
203.03473	1.9
211.04016	1.4
213.01944	1.4
214.02667	0.7
215.03574	1.3
217.01405	1.8
225.06943	0.5
227.03506	2.2
229.05086	1.7
231.03065	1.1
239.03523	0.8
239.09306	2.6
243.03023	1.6
245.04500	3.3
253.07230	19.4
255.03036	3.9
256.03714	0.8
259.02502	1.6
271.02460	1.0
273.04010	2.4
283.02576	2.4
284.03073	1.1
287.02069	9.0
288.02527	1.3
296.10464	0.6
297.06104	1.1
300.02625	0.7
301.03610	100.0
302.03946	9.0
303.79306	0.6
311.09283	1.1
312.10098	3.0
315.01541	1.3
315.07257	2.4
323.07782	1.5
327.12418	4.4
331.00946	2.1
415.12576	6.3
477.06271	18.3
478.06723	2.6
497.15204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71823	0.3
55.01772	1.6
57.03337	1.1
58.00484	5.0
59.01269	100.0
59.98420	0.4
60.01606	1.4
61.98719	1.6
69.03342	1.8
71.01276	38.3
71.04908	0.3
71.52593	0.6
72.01599	1.0
72.99200	7.2
73.02840	22.9
73.35577	0.3
74.03177	0.3
75.00784	1.4
81.03365	1.2
83.01279	3.8
83.04942	0.5
85.02847	17.9
85.99981	2.7
86.03175	0.8
87.00777	12.7
87.04421	4.3
87.38445	0.3
89.02343	34.9
90.02669	0.5
93.53349	0.3
95.01297	1.1
97.02867	1.1
99.00775	2.0
99.04432	2.1
101.02357	51.7
102.02703	1.2
103.03924	27.0
104.04259	0.4
108.02115	0.4
109.02865	0.7
113.02371	6.2
113.08208	0.3
115.03925	5.9
119.03429	25.5
120.03758	0.6
122.03684	0.6
125.02367	4.0
127.03956	3.1
129.78439	0.4
131.03438	9.2
143.03447	11.8
144.03705	0.4
145.05008	8.3
147.11649	0.8
149.09676	1.7
161.04480	1.5
163.06085	88.1
164.06404	3.3
167.03459	0.4
167.10741	49.6
168.11093	3.0
181.12308	1.6
183.06572	0.9
191.10773	10.5
192.11009	0.6
205.07178	19.4
206.07492	0.7
209.11824	5.3
210.12106	0.5
221.11845	0.8
233.11732	0.5
235.13461	0.5
247.08282	34.1
248.08539	1.8
307.10443	2.7
325.11313	0.9
327.21826	0.7
355.17480	0.5
384.97836	0.3
415.23578	1.5
427.51089	0.3
475.25568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38145	0.3
54.01650	0.4
54.99543	0.4
55.01777	0.4
57.03323	0.7
58.00469	0.5
58.02870	1.2
58.41545	0.4
59.01264	18.4
60.01592	0.7
61.98717	7.3
69.34055	3.7
71.01274	7.8
72.99200	1.4
73.02827	1.1
75.00762	0.9
77.34711	0.4
83.01287	0.9
85.02837	2.7
87.00790	1.3
89.02335	4.2
90.03381	1.4
93.03363	1.5
95.01280	3.1
96.95876	0.4
97.02836	0.6
99.00772	0.9
101.02335	4.9
102.01863	1.5
103.99560	0.4
107.01282	0.6
108.02084	0.9
109.02858	2.3
111.00787	1.5
113.02345	3.6
114.03459	0.4
117.03345	0.7
121.02878	5.1
123.00792	3.8
123.04440	11.9
123.52955	0.4
124.01593	1.0
125.02345	0.4
125.99514	0.6
130.02910	1.3
131.03664	2.2
132.02162	0.4
132.04155	0.4
133.02882	7.0
135.04456	4.8
137.02336	1.0
139.00302	4.0
139.04050	0.4
140.05022	0.6
145.02885	2.9
146.02408	8.4
149.99530	0.8
151.00310	4.6
152.01112	1.9
152.04926	0.6
153.01855	1.8
153.05524	11.9
153.99019	1.6
155.04974	1.0
161.02391	28.1
161.04510	1.1
164.04976	0.8
165.01913	3.9
165.98996	0.7
166.06700	0.5
166.94005	0.4
166.99796	1.3
168.04488	2.2
169.01401	3.8
169.05080	0.4
169.45616	0.4
177.05521	0.5
178.99767	0.8
179.03462	3.7
181.01369	1.6
181.05209	0.6
182.02179	15.0
183.02615	0.5
187.03847	0.6
191.03386	0.7
192.04538	2.1
193.05130	0.6
194.06027	0.8
197.11815	1.3
198.05597	0.5
199.03963	0.9
208.03952	1.0
209.04727	1.0
211.04172	0.5
220.03897	0.6
221.04710	0.8
222.05664	1.9
227.03496	7.0
228.04128	1.5
236.03606	2.7
237.04187	1.5
238.05017	3.2
241.05208	0.6
252.03072	0.4
252.06682	0.7
255.03102	0.7
264.03165	0.9
265.03641	0.6
266.04572	0.5
271.02600	0.9
278.04568	0.5
281.03543	0.6
284.55716	0.5
287.05676	50.0
288.06018	4.3
296.02371	0.8
296.05682	8.9
297.06442	8.2
298.07251	7.2
299.02109	0.6
300.02924	0.8
301.03641	1.9
301.07224	1.1
307.08304	1.2
312.05237	0.9
312.10358	0.5
314.03424	0.8
314.06818	16.3
315.07230	1.3
315.10864	0.6
323.07840	10.7
359.17108	0.8
389.08881	0.5
415.23798	0.5
416.23621	0.9
444.09396	1.5
449.10815	1.0
476.12103	100.0
477.13452	23.8
477.19855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.7
63.21105	1.1
65.23846	1.2
69.47430	6.3
69.47845	1.9
70.37868	1.0
71.01274	17.0
72.99201	5.0
75.00750	1.4
85.02805	1.1
87.00780	5.3
89.02323	3.6
93.26788	1.0
98.20619	2.3
99.00900	1.0
111.00803	1.7
111.70340	1.1
115.00295	44.0
116.00571	1.3
123.00799	1.0
132.02974	1.6
133.01361	100.0
133.05011	10.3
134.01701	1.2
135.04399	1.6
146.02414	1.7
147.02951	1.2
149.04501	6.6
149.06099	1.2
156.26476	1.1
165.04012	2.6
191.05603	7.0
200.51837	1.2
236.11011	1.2
365.06940	1.2
475.14932	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.2
57.03339	4.5
59.01268	83.7
60.01615	2.7
61.98712	7.3
69.03361	2.5
71.01272	67.5
71.19330	3.1
72.01600	2.6
72.16323	1.4
72.99197	5.2
73.02834	24.8
75.00766	3.2
78.40955	1.3
78.95767	1.4
81.03355	3.2
83.01270	7.2
85.02840	25.1
87.00782	7.9
88.98684	10.3
89.02337	30.9
91.01813	2.5
93.03333	2.8
95.01283	4.8
96.95937	10.6
97.02866	6.7
99.00784	7.3
101.02353	42.7
103.03911	12.5
107.04954	8.5
109.02842	1.7
113.02345	18.5
119.03412	8.9
123.00797	2.0
125.02379	21.5
128.15366	1.6
131.03493	2.0
133.02899	2.8
135.00821	6.3
135.04422	1.6
137.02412	2.4
139.03911	2.3
141.01836	2.3
141.99438	1.5
143.03380	3.5
145.04938	1.5
146.02467	1.6
149.04492	2.9
151.00278	1.7
152.56024	1.3
159.02931	4.2
161.04535	18.6
163.06079	12.5
165.05518	1.5
167.03496	11.9
169.02917	1.7
177.05548	1.9
179.05603	3.2
181.05051	2.2
185.02437	1.9
188.59494	1.8
193.05083	3.8
193.94115	1.9
196.83171	1.6
210.45554	1.5
212.03424	3.3
213.01926	2.7
215.03555	2.5
224.03618	1.8
240.03073	2.0
242.08292	2.9
247.08328	3.1
252.02950	2.9
258.01608	2.7
267.01743	1.5
268.02573	12.7
269.00861	2.7
269.10831	1.7
283.11954	17.7
287.02103	5.5
293.08920	2.0
295.01401	2.5
296.02060	21.1
297.02911	3.0
307.10461	19.2
309.31659	1.5
378.32669	1.5
409.61227	1.7
415.16190	100.0
416.16635	15.6
475.07422	2.0
475.13663	3.0
476.08380	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	475.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51054	0.4
55.01778	0.6
59.01267	18.6
61.98720	1.1
67.62197	0.4
69.34805	0.7
69.35207	3.8
71.01270	5.7
72.99215	0.9
73.02843	1.6
74.02367	1.1
80.02582	0.5
83.01297	0.6
85.02866	2.2
87.00793	0.6
89.02319	3.0
91.15463	0.4
93.03362	13.5
93.03928	0.9
95.01288	0.5
96.95943	0.5
98.02436	0.7
98.20618	0.9
99.00814	0.9
99.01905	0.4
99.04366	0.5
99.05536	0.5
101.02349	4.0
105.01884	0.5
108.02082	35.2
109.02388	0.7
111.00787	0.6
113.02361	1.8
117.03381	23.2
118.03703	1.0
119.03512	0.7
119.04955	14.7
120.05309	0.8
121.02879	0.7
123.00750	0.5
123.03539	0.8
123.04446	15.4
124.04785	0.9
132.02118	1.5
133.02913	0.6
134.03677	2.2
135.04500	0.8
137.02383	14.4
138.02711	0.5
143.03432	0.7
145.02895	99.8
146.03215	6.3
149.05975	0.8
152.01099	76.9
153.01410	2.7
160.01628	5.4
161.02316	1.4
161.04497	1.6
161.05998	1.0
163.03970	11.5
164.04327	0.6
167.03453	100.0
168.03793	5.0
175.03984	5.7
179.03441	0.7
179.05649	1.1
183.96552	0.5
187.03951	1.6
193.05086	1.5
193.20360	0.4
205.05042	1.7
219.78166	0.5
221.04742	0.5
247.06139	1.3
281.06812	1.0
301.54031	0.5
307.08307	87.2
308.08655	6.7
308.16241	1.5
323.07669	0.9
337.09360	7.4
338.09500	0.5
342.14948	1.8
375.27689	0.7
386.14038	0.6
413.14725	0.7
415.23798	2.6
475.12628	13.1
476.13113	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	0.7
59.01267	29.2
60.01600	0.7
61.98709	2.2
65.00224	1.1
67.54662	0.4
71.01272	14.1
72.99209	1.2
73.02837	2.1
75.00764	1.0
83.01279	1.3
83.39442	0.4
85.02838	3.4
86.03164	0.4
87.00764	1.4
89.02345	13.3
93.03367	1.2
95.01286	0.9
97.02876	1.3
99.00774	0.7
101.02352	4.4
108.02090	0.4
113.02367	4.4
117.03407	0.5
119.03416	1.3
121.02912	0.8
122.06046	0.5
123.00822	0.5
125.02374	0.7
131.03412	1.2
134.03685	0.5
135.04430	0.4
136.01582	1.2
137.02374	2.8
138.09178	1.2
141.03456	0.4
145.02892	0.9
146.02408	1.1
147.03233	0.6
149.03467	0.4
149.04475	2.1
149.06082	0.6
149.99504	0.4
151.00296	0.7
160.01585	0.8
161.01180	0.7
161.04453	2.7
163.00305	0.4
165.01889	11.5
166.02200	0.6
167.03459	0.6
175.04019	0.7
178.02670	0.8
179.05598	1.6
182.08195	5.8
183.02911	0.5
183.04480	0.7
193.05014	3.1
198.03152	2.4
198.04796	0.4
205.03493	0.5
206.08195	1.4
211.03891	0.9
221.11830	0.6
226.02722	7.8
227.03471	3.9
235.05663	0.4
253.14471	0.7
254.02252	23.8
255.03021	23.6
256.03354	1.7
265.03812	1.2
265.06717	0.4
269.04614	60.0
270.04947	5.9
281.06772	2.7
281.11850	0.6
283.02554	36.5
284.02936	4.0
287.05634	1.3
296.05710	0.5
297.04111	36.6
298.04840	49.0
299.05365	6.0
305.08679	0.5
311.05634	0.4
313.07263	34.0
314.07547	3.5
325.10867	2.5
326.11642	1.6
327.12485	0.7
343.11969	0.6
356.07782	0.6
385.13196	1.1
386.14029	0.5
415.14914	1.9
415.23486	10.0
416.24014	0.9
417.08389	1.8
445.07855	9.0
446.08218	1.6
460.10226	29.8
461.10776	3.5
475.12561	100.0
476.06595	1.5
476.12820	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	474.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.9
59.96784	0.1
65.42471	0.1
68.66264	0.1
71.01038	0.1
74.75166	0.1
78.95797	6.4
83.04900	0.1
93.52721	0.1
99.04414	0.2
122.00056	0.2
140.01129	2.2
152.99503	0.5
176.22034	0.2
181.00314	0.1
195.67134	0.1
196.03798	1.4
214.04865	3.6
233.22884	0.3
259.20694	0.4
275.20468	0.3
277.21786	100.0
278.22137	12.2
278.25323	0.1
295.24304	0.1
438.08087	0.1
474.26395	13.4
475.26703	2.0
475.32977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18810	0.3
57.24332	0.3
59.01263	3.7
61.98717	2.6
62.96276	0.3
69.81732	1.2
71.01266	0.4
78.95798	24.5
98.19855	0.4
101.62034	0.3
122.00033	1.1
134.98451	0.4
140.01129	7.0
141.01526	0.3
143.99152	0.4
151.00327	0.3
152.99548	2.1
162.83829	1.6
166.02623	0.4
166.83278	0.4
193.52541	0.3
196.03799	11.7
197.04193	0.4
214.04898	3.2
275.20047	0.4
277.21796	100.0
278.22137	12.2
333.20016	0.4
399.20523	0.3
412.16251	0.3
419.71515	0.3
425.98819	0.3
428.55914	0.3
436.08850	0.4
438.08801	0.5
439.24979	0.3
474.26379	35.9
475.26950	5.2
492.67755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1251
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.50574	0.2
59.01266	3.7
61.98717	3.1
65.00190	0.9
71.01283	1.1
71.54195	0.2
73.02817	0.3
75.00758	0.3
78.95790	0.4
83.01283	0.2
85.02843	0.4
89.02326	0.9
91.01774	0.2
96.95920	0.2
97.02879	0.8
99.04383	0.2
101.02353	0.9
108.02077	0.4
109.99994	0.3
113.02362	0.4
116.02595	0.2
121.02856	0.4
132.02122	0.2
137.02367	0.2
141.03470	0.2
145.02791	0.2
146.66628	0.2
149.99516	0.2
154.04248	0.4
161.04538	0.3
165.01884	8.0
166.02240	0.4
168.04231	0.2
170.03697	0.4
179.05571	0.4
182.03654	0.3
183.02962	0.2
197.02368	0.3
198.03214	4.0
199.03644	0.2
201.01950	0.2
210.03210	0.6
211.03940	0.2
225.05661	0.2
226.02728	15.0
227.03117	1.3
241.05125	0.6
253.01395	0.8
254.02245	34.0
255.02870	6.5
256.03372	0.5
268.03809	0.8
269.04608	100.0
270.04971	9.3
282.01691	0.5
282.05322	0.2
283.02521	3.2
283.06104	0.6
284.02951	0.3
295.06192	0.3
296.03296	0.5
297.04111	19.3
298.01337	0.3
298.04810	6.9
299.05280	0.5
311.05646	2.0
312.06387	2.2
313.07242	9.1
314.07645	0.8
327.05127	0.2
355.08292	0.2
415.23425	2.0
416.23703	0.3
432.10605	0.7
460.10223	2.2
461.10620	0.4
475.12558	79.5
476.12924	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18518	0.2
57.03332	0.3
59.01268	3.7
61.98707	1.0
62.88647	0.2
71.01273	4.9
71.53130	0.3
73.02837	3.6
74.03148	0.3
80.02531	0.3
83.45367	0.2
85.02826	0.6
97.02842	0.3
97.06525	0.3
99.08087	0.3
101.01703	0.4
101.02347	6.8
109.02837	0.3
111.08059	0.3
113.02311	0.2
113.09646	0.7
115.07564	0.8
121.02816	0.4
123.00774	0.6
125.02367	3.1
125.09608	0.3
127.07587	0.3
127.11182	0.5
128.08348	0.6
135.04430	0.6
136.01563	0.3
137.02306	0.2
141.01633	1.3
143.03444	0.2
149.06030	0.6
151.11227	1.0
153.12790	0.5
161.13406	0.3
162.83977	0.3
163.11241	0.6
165.12778	0.8
167.14355	1.9
171.10124	0.4
177.12752	0.5
179.14392	0.5
183.13872	1.3
185.11777	0.6
191.14409	0.4
192.11493	0.6
195.13892	6.1
196.14255	0.5
199.13318	0.4
205.12349	3.7
206.12697	0.4
211.13368	0.7
213.14932	1.0
219.10114	0.3
219.17528	0.9
223.13441	0.8
241.14488	0.6
242.15228	0.8
249.14999	0.4
249.22238	0.6
267.23364	0.4
273.22293	3.0
275.20270	0.3
283.22943	0.2
291.19836	0.7
291.23370	0.7
293.21295	9.9
294.21707	1.1
295.22870	10.2
296.23141	1.0
299.20041	0.4
309.20755	1.1
310.21219	0.3
311.22354	100.0
312.19025	0.4
312.22705	11.0
317.21295	17.4
318.21655	2.2
331.18393	0.4
335.22363	19.3
336.22723	2.7
347.22330	2.1
353.23367	2.6
354.23807	0.5
359.22668	0.2
365.23389	3.2
366.23770	0.4
377.23410	0.5
383.24515	3.4
384.24780	0.5
391.20551	0.6
395.24704	0.4
401.23151	0.5
413.25546	9.1
414.25879	1.3
473.27774	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3289
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
54.29131	0.6
59.01267	1.5
66.56039	0.6
71.62467	1.1
78.95774	0.6
80.89893	0.5
84.58212	0.6
85.13354	0.5
101.40662	0.6
117.03378	23.2
118.03664	0.7
119.04959	7.2
121.02879	6.5
123.04408	1.5
123.51896	0.6
133.02850	1.3
134.03671	0.9
145.02893	62.4
146.03226	2.5
147.04500	0.8
162.03178	2.4
163.03963	5.5
222.38071	0.6
225.20923	0.6
272.77142	0.6
391.09738	0.7
429.30246	1.0
443.31760	14.4
444.32178	2.6
455.31906	0.8
473.32870	100.0
474.33267	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	471.2764
Annotation	Surinone A
Peak:m/z	Relative Intensity
52.75086	0.5
57.03341	0.9
59.01262	0.9
65.00206	1.1
71.58661	0.5
78.95795	1.1
81.03362	1.6
83.01280	1.0
85.75145	0.4
95.01286	0.7
97.02837	1.1
122.03674	0.8
124.01591	39.9
125.02418	8.5
132.16620	0.5
135.04485	0.8
139.03951	82.6
140.04280	3.5
142.62039	0.5
145.02907	0.8
151.00352	1.4
152.01059	4.1
152.99486	1.1
153.01511	0.5
161.02443	0.7
166.02678	0.6
175.04034	0.7
179.03453	4.1
202.98558	0.5
241.13171	0.5
287.23901	6.3
288.23953	0.6
289.21844	1.1
313.21918	0.7
329.24997	1.2
331.22891	12.8
332.23267	1.8
345.24393	1.2
355.22742	1.0
373.23877	1.5
427.28571	0.9
471.27625	100.0
472.28006	18.1
472.34982	0.4
479.02631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37279	0.7
59.01268	21.3
61.98715	3.5
69.63857	5.1
71.01274	13.5
72.99196	0.9
75.70316	0.7
78.95801	2.2
85.02838	2.2
89.02334	6.2
94.51970	0.7
96.95918	1.3
96.96887	3.6
101.02343	5.5
105.28325	0.7
107.04961	0.9
109.02870	2.0
113.02361	3.2
119.03426	1.6
121.02867	1.6
132.02065	1.0
133.02882	17.5
133.03819	1.3
134.03677	4.1
135.04459	94.0
136.01620	0.9
136.04805	4.8
137.02377	5.6
148.05231	4.8
149.06035	19.2
150.03029	0.8
150.06293	1.2
151.03926	1.8
154.27534	0.7
161.02405	81.9
162.02762	4.4
175.03940	1.4
177.05547	35.5
178.02655	0.9
178.05859	2.8
179.03473	97.9
180.03821	5.3
189.05508	0.9
191.81107	0.7
203.03491	3.0
211.06102	0.8
221.04567	50.4
222.04948	3.9
233.04535	1.1
251.05650	52.5
252.05968	3.4
254.04582	1.2
260.09174	0.7
262.78253	0.7
281.06747	100.0
282.07007	7.4
305.06824	0.7
323.07800	4.4
341.08847	60.3
342.09192	5.4
386.58194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54607	0.1
55.01765	0.1
57.03358	0.1
59.01268	2.2
59.45069	0.1
61.98721	12.6
66.00852	0.1
68.02428	36.6
69.02125	0.3
69.02755	0.4
70.76918	0.3
71.01272	2.1
73.02846	0.4
74.57779	0.1
78.48998	0.1
83.01278	0.2
85.02845	0.7
87.00738	0.1
89.02348	1.5
89.62988	0.1
91.01785	0.3
95.01289	0.1
99.00784	0.1
99.04433	0.1
101.02356	1.3
113.02372	0.9
115.07620	0.1
119.03436	0.8
126.99493	100.0
127.99831	3.6
131.03482	0.1
143.03461	0.2
145.02873	0.2
146.03253	0.2
151.98997	0.3
161.04469	0.6
173.08047	0.1
179.05634	0.5
181.48990	0.1
208.02753	0.2
221.08005	0.2
263.11353	0.3
267.44873	0.1
275.11328	0.5
403.11792	0.8
404.11746	0.1
407.73108	0.1
472.14093	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	473.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79448	1.8
59.01276	2.9
61.70335	1.8
63.07621	2.0
64.42042	2.0
66.40362	2.0
67.68018	2.0
68.50973	1.8
68.68951	2.3
69.55364	8.5
69.55778	6.9
85.78651	1.9
87.56508	1.8
96.95951	13.1
96.96516	1.8
118.02917	20.8
146.02428	100.0
147.02722	5.4
182.03764	2.1
241.57759	2.1
260.51337	2.4
473.70499	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65940	1.9
53.69942	2.0
55.22391	1.8
59.01270	2.4
96.95913	5.1
98.19801	3.3
118.02901	24.6
126.74172	1.8
134.02414	14.6
146.02419	100.0
147.02782	5.6
151.37216	2.0
162.01930	30.6
163.02333	2.3
232.41788	2.0
266.04752	2.5
293.05875	3.9
302.54846	2.1
345.44345	1.9
351.53326	2.3
366.73740	2.1
388.44867	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	473.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42938	0.4
53.88136	0.4
59.01269	100.0
60.01614	1.2
61.98724	2.7
61.99004	0.5
69.55093	0.4
71.01280	1.5
72.16059	0.5
87.56888	0.4
89.02370	0.5
96.27920	0.5
96.70204	0.4
97.02856	0.8
101.02321	0.7
109.39460	0.4
113.02367	2.1
121.02834	1.1
124.48857	0.5
132.00879	0.4
133.02797	0.5
136.01711	0.4
137.02405	1.2
139.03944	0.9
139.64090	0.4
143.64014	0.4
151.08572	0.4
160.84238	0.8
161.02504	1.1
161.04491	0.6
162.83907	2.3
311.22342	2.9
319.22968	0.8
331.18350	0.5
341.08194	1.3
429.01779	0.5
436.09116	0.8
437.08749	0.8
438.08694	1.1
473.29559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	3.7
57.32504	1.0
59.01274	7.2
61.98710	1.8
69.03347	1.5
69.87345	4.6
71.01283	7.9
71.04926	1.0
73.02833	6.0
75.14608	0.7
80.02575	1.0
81.03346	1.4
83.04930	0.9
85.02854	1.1
93.03382	1.8
95.01311	1.4
95.04932	1.3
97.02868	2.9
101.02348	12.5
109.02851	1.0
109.06500	1.9
111.04411	1.4
114.80892	0.8
117.71300	0.7
121.02863	2.2
123.04464	1.9
123.08102	1.5
125.02401	1.6
125.09637	4.2
135.04549	1.3
135.08099	0.9
137.09689	1.5
141.01672	2.4
141.09184	0.7
141.12849	1.3
149.06012	2.1
151.07596	1.0
153.12721	0.9
162.83868	1.3
163.11241	6.0
165.09166	1.5
165.12793	9.7
171.10233	3.7
175.11247	0.8
177.12845	1.7
178.10139	0.8
179.14418	1.7
181.12323	3.4
185.11847	6.3
189.09222	0.9
189.12854	1.0
191.10791	1.1
191.14435	1.6
193.12442	0.8
193.15953	1.2
199.13345	2.0
203.10710	0.9
205.12317	1.5
207.10136	2.1
209.11794	2.4
217.16031	3.7
218.16187	0.9
221.11815	1.1
223.13420	5.8
225.11481	1.2
229.11954	0.9
241.14458	1.8
245.19162	2.6
247.13675	0.9
247.20685	8.0
255.05939	0.8
264.13745	1.9
271.20749	12.1
272.20908	1.2
273.18732	2.7
287.20279	1.1
289.18256	4.8
289.21384	1.1
291.19742	65.5
292.20050	7.5
293.21313	93.0
294.21692	9.4
305.21170	0.9
307.19348	4.6
309.20807	100.0
310.21185	12.5
315.19763	20.7
316.20135	3.3
319.22873	2.1
321.20728	1.9
327.19772	1.6
329.16534	2.5
333.20807	47.7
334.21027	6.1
345.14023	1.2
345.20801	9.3
346.20908	1.1
351.21841	22.0
351.25784	1.6
352.22327	2.2
352.85425	0.9
357.20901	2.6
363.21906	13.2
364.22162	2.4
375.21918	5.6
381.17166	1.4
381.22888	11.7
382.23285	1.2
393.22882	3.0
399.22067	1.2
411.23984	26.2
412.24377	3.3
471.20270	1.6
471.26987	7.3
471.34167	1.6
472.26379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.4
57.03327	0.4
59.01262	3.3
61.20915	0.3
63.19035	0.3
69.03356	0.4
70.74547	0.7
70.74926	0.5
71.01275	5.6
73.02838	5.3
78.65365	0.3
81.23950	0.3
83.01278	0.3
85.02856	0.9
87.00794	0.4
95.01299	0.4
97.02868	0.6
97.06495	0.6
101.01691	0.5
101.02352	8.7
107.59010	0.3
109.06499	0.7
113.02361	0.4
113.09631	1.3
115.07569	0.6
121.02895	0.8
123.00842	0.4
123.04450	0.4
123.08088	0.4
125.02356	4.2
125.05967	0.4
135.04451	1.3
137.09691	0.4
139.11205	0.4
141.09148	0.7
143.03494	0.3
146.07315	0.4
149.05974	0.6
149.09697	0.5
151.11209	1.0
161.13321	0.6
163.07544	0.4
163.11288	0.5
165.12801	2.6
167.10733	0.8
167.14389	0.8
175.07605	1.3
175.11269	0.6
177.12784	0.7
179.14394	0.6
181.12338	2.8
183.13902	0.5
193.12341	1.5
195.13890	1.3
203.14520	0.3
205.12372	3.9
211.13376	2.6
212.13922	0.3
213.14917	0.4
217.16022	0.7
221.15486	1.2
223.13376	0.4
229.14359	0.5
236.20581	0.3
239.12962	0.4
240.13701	1.3
243.17635	0.3
247.20718	3.6
263.20212	0.5
264.13794	0.6
265.21808	0.4
271.20703	2.8
273.18637	1.9
279.12393	0.3
281.21243	1.4
289.18152	0.4
289.21756	0.8
291.19742	22.6
292.20029	2.6
293.21289	4.5
294.14688	0.5
297.18677	0.5
305.21555	0.4
307.19202	0.3
309.20795	100.0
310.21143	10.8
310.24588	0.7
315.19727	12.5
316.20074	1.6
327.19659	0.4
333.20795	21.0
334.21146	2.8
345.20819	3.3
346.21017	0.5
351.21625	0.5
363.21875	2.0
381.22974	2.7
399.21976	0.4
411.23993	7.8
412.24377	1.3
471.25897	1.8
472.26837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.7
59.01268	4.5
61.98706	0.9
64.26563	0.4
69.03352	0.6
70.69825	1.2
71.01270	9.1
72.99187	0.4
73.02843	4.8
81.03341	0.8
83.01289	0.4
83.04934	0.6
85.02848	6.2
87.00787	0.6
89.02342	1.1
95.01276	2.0
96.95928	0.9
97.02864	1.0
97.06493	0.8
99.00816	0.4
101.02351	9.1
109.06463	0.6
111.00790	3.0
111.08052	0.6
113.02367	8.7
113.09647	1.4
115.07554	1.0
121.02872	0.8
125.02375	8.3
125.06035	0.5
126.02728	0.5
126.06803	0.4
135.04454	0.8
137.09665	0.5
139.03961	1.2
139.11224	0.5
141.01881	0.4
142.02608	0.4
149.06030	0.7
149.09689	0.7
151.11258	1.2
161.04527	1.5
163.11230	0.5
165.12820	2.7
167.10724	0.7
167.14369	0.9
174.01627	1.3
175.02011	0.9
175.07607	1.3
176.02129	1.1
177.12874	0.5
179.14305	0.4
181.12344	2.5
183.13847	0.9
191.14345	0.7
193.12296	1.3
195.13918	1.2
205.12338	2.7
209.11981	0.7
211.13420	2.3
217.15964	1.3
221.15421	1.0
223.13446	0.6
229.14503	0.9
240.13681	1.2
247.20648	3.0
265.21719	0.5
269.84195	0.5
271.20758	2.8
273.18695	1.9
281.21271	0.7
289.21832	0.7
291.19751	20.4
292.20096	2.5
293.21381	4.8
294.21857	0.5
297.18759	0.7
309.20798	100.0
310.21124	11.4
315.19708	13.7
316.20117	1.4
333.20795	21.9
334.21112	2.5
345.20819	3.2
351.21628	0.8
355.24646	0.5
363.21945	2.7
375.21860	0.5
381.22885	3.3
393.22278	0.5
399.21866	0.6
411.23972	8.5
412.24338	1.2
453.24689	0.6
471.24548	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	6.7
61.50563	1.1
61.98714	1.6
63.14762	1.2
66.70431	1.4
69.30747	11.5
69.48423	1.1
71.01271	4.2
71.54607	1.2
73.02822	1.7
73.53683	1.2
85.02851	4.1
87.00761	1.3
88.73850	1.1
89.02341	2.1
92.73126	1.1
101.02346	4.3
109.06501	2.9
113.02356	4.5
113.09646	2.0
115.07541	1.3
135.06555	1.8
141.09106	1.6
161.04497	1.8
163.11295	1.4
165.12785	2.0
167.14336	1.9
171.10326	1.3
181.12326	3.9
191.05591	1.3
195.13962	1.4
201.11351	1.2
203.65810	1.2
207.10341	6.2
209.11818	4.5
211.13423	2.4
221.15549	2.5
225.11259	3.3
227.12854	1.9
229.14363	1.4
240.13733	1.4
247.20779	2.3
273.18518	1.9
291.19730	22.1
292.19965	2.0
293.21301	6.0
299.01947	1.4
309.20801	100.0
310.21140	12.9
314.93738	1.2
333.20828	5.4
351.21930	1.7
415.98764	1.6
471.27155	3.2
471.34555	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2608
Annotation	Withametelin O
Peak:m/z	Relative Intensity
57.03335	0.5
61.98723	0.5
63.02297	0.4
65.00224	1.3
69.26364	3.7
69.26771	0.8
75.59686	0.4
78.95804	0.8
81.03341	1.7
83.01276	1.0
95.01291	0.9
95.04976	0.4
97.02879	1.1
98.20565	0.8
107.01286	0.5
111.04455	0.5
122.03676	1.2
124.01591	45.6
125.02407	7.9
135.04456	1.0
135.30443	0.5
137.02417	0.5
139.03947	90.8
140.04305	3.6
151.00320	1.3
151.03934	0.5
152.01111	3.4
152.99570	0.5
161.02324	0.4
165.02020	0.9
166.02670	1.6
179.03462	2.5
193.04980	0.5
239.01115	0.4
261.11404	1.4
261.22342	0.6
285.22308	6.7
286.22757	0.8
287.20309	1.4
311.20288	0.7
327.23270	1.0
329.21289	13.3
330.21591	1.6
343.22852	1.0
353.21307	0.4
371.22336	1.3
383.25934	1.0
393.07776	0.4
408.40170	0.4
425.27036	1.3
454.27383	0.5
469.26041	100.0
470.26376	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	471.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34257	0.7
57.03337	4.4
59.01268	100.0
60.01600	1.2
61.65620	0.7
61.98731	2.5
63.13512	0.7
69.40841	6.2
71.01276	9.3
72.99213	0.9
73.02847	1.0
73.96830	0.7
75.00744	1.3
78.95836	1.5
81.03378	1.4
83.01285	3.5
83.04928	2.1
85.02854	3.5
87.30228	0.8
89.02334	7.8
93.03388	1.1
95.01313	1.6
96.95930	1.5
97.02859	1.7
101.02345	6.5
109.02909	1.5
113.02348	9.0
117.03394	2.1
119.03453	4.0
119.04924	3.9
121.02935	1.7
123.00800	0.9
125.02374	42.9
126.02740	1.4
128.02051	0.7
133.02946	0.7
137.02394	0.8
137.09703	1.4
137.75624	0.8
139.04002	2.9
143.03473	1.7
145.02896	4.8
146.02460	0.8
149.02408	3.9
149.09605	1.2
151.04002	1.0
161.04526	3.9
161.13251	3.6
163.03981	3.8
167.03514	2.5
171.11769	1.0
175.03925	1.0
175.34369	0.7
179.03477	1.3
179.05600	3.8
181.05067	1.6
187.13419	1.1
187.14923	1.9
189.12915	1.0
201.12805	1.0
205.15985	5.0
225.04076	1.4
231.13948	1.8
249.15009	90.2
250.15381	9.8
273.07953	2.1
273.15021	10.2
274.15546	0.8
291.16287	3.5
294.14978	1.8
303.16208	1.3
307.08490	2.2
309.17291	1.4
411.20477	3.8
412.20953	1.0
471.15161	10.0
472.15469	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	469.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51437	1.4
59.01266	74.7
61.98721	22.3
65.88862	1.5
69.03331	4.8
70.26145	6.0
71.00901	2.7
71.01273	37.3
72.99190	6.1
73.02840	20.0
75.00765	26.5
75.83266	1.5
78.95801	8.2
81.03344	3.9
83.01271	4.2
85.02835	17.4
87.00781	4.8
87.04469	2.2
89.02336	25.6
95.01247	2.7
96.95908	8.4
97.02865	7.0
97.08334	1.6
98.95516	1.7
99.00770	3.0
101.02348	43.3
101.05989	100.0
102.06377	2.3
103.03915	25.1
107.04838	1.6
109.02876	4.1
113.02338	3.5
115.03909	2.8
119.03413	14.4
121.02913	1.9
125.02373	29.9
127.03915	2.1
128.39363	1.5
131.03394	2.8
137.02354	2.4
143.03412	5.4
145.04988	6.9
153.01855	2.1
161.04501	4.0
163.06064	39.8
204.99547	1.8
205.07097	5.1
214.64600	1.8
222.63310	1.9
235.04431	3.1
247.08269	5.8
289.06848	2.1
307.10400	40.1
308.10855	3.7
409.17310	17.7
409.22833	1.8
409.24664	1.9
410.17389	2.9
469.17957	6.8
470.19650	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	469.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81364	1.3
57.03350	1.6
59.01265	4.2
61.49414	1.5
61.98738	3.6
66.91151	1.5
71.01274	5.9
71.24055	1.8
71.24415	3.2
72.99213	10.9
73.18752	1.2
75.00769	14.4
75.35643	1.3
82.39459	1.3
83.01293	1.8
87.00809	3.1
99.00794	8.4
101.02294	1.4
109.06535	1.4
111.00778	3.1
111.08081	1.7
112.98721	7.6
113.99518	2.7
115.00294	3.4
121.02868	3.2
135.02928	23.7
142.99818	14.3
151.03943	3.0
156.00642	9.0
160.84148	3.6
165.12793	5.5
167.10780	1.8
173.00876	9.1
174.01665	100.0
175.02335	6.6
175.07648	3.2
178.09984	3.5
231.17546	1.8
237.11397	2.1
279.23352	10.9
285.22330	2.8
289.22031	1.8
295.22855	12.7
307.22946	16.2
308.23190	2.9
309.24445	2.8
315.19836	3.0
317.21423	6.5
319.22845	4.5
323.22833	1.6
329.21170	7.5
333.20782	21.9
334.21384	2.3
335.22418	5.3
345.20920	2.6
347.22318	22.7
348.22833	3.3
351.21854	28.1
352.22070	3.0
363.21756	3.4
365.23508	2.7
371.22464	3.7
373.20322	17.9
374.20648	3.2
385.20349	2.6
389.23419	6.2
391.21384	8.7
403.21185	11.9
409.22559	7.1
410.14978	2.9
415.21594	7.2
433.22421	11.5
434.07419	2.1
434.22766	3.4
451.23538	19.2
452.24005	3.5
469.24472	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.7
57.03313	2.4
59.01268	100.0
61.98711	4.6
64.58606	1.3
71.01276	31.3
71.59967	2.8
73.02839	11.5
78.95781	2.2
80.96397	1.7
83.01276	5.9
85.02850	14.3
87.00781	2.5
89.02334	3.7
93.03357	2.3
93.55908	1.4
94.49083	1.6
94.74663	1.2
95.01292	2.4
96.95892	1.7
99.00790	4.4
101.02350	32.0
113.02359	11.9
118.74782	1.3
119.19401	1.3
124.01569	4.8
125.02341	3.5
139.03932	5.0
143.03423	2.2
159.02965	3.4
161.04492	24.1
162.01900	1.8
171.10280	1.6
181.69815	1.3
195.26476	1.4
219.64569	1.3
229.90028	1.4
245.21240	5.0
273.02707	1.4
300.81824	1.3
407.26614	73.0
408.26993	10.9
467.33633	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	467.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.5
57.03337	2.2
59.01266	100.0
60.01607	1.3
60.20602	0.9
61.98717	2.2
70.80544	1.5
70.80891	2.1
71.01273	31.1
72.99215	1.2
73.02836	13.1
75.00765	1.4
78.95791	1.9
79.45274	1.1
80.96414	1.3
83.01273	5.1
85.02855	15.9
87.00787	2.9
89.02347	4.5
95.01262	1.4
96.95938	2.1
99.00766	3.7
101.02350	31.6
102.02708	1.6
113.02365	12.1
124.01597	2.6
125.02372	3.9
129.01857	1.2
135.08015	1.0
139.03925	2.6
143.03415	2.7
159.02971	3.2
161.04510	22.5
171.10249	1.8
245.21307	3.8
366.11816	1.1
407.26611	68.7
408.26920	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	468.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17035	0.2
59.01268	7.4
60.01604	1.1
61.01696	0.5
61.98718	100.0
69.63991	1.8
71.01274	1.8
75.00786	0.3
78.95796	1.6
85.02847	0.3
89.02348	1.9
90.02715	0.5
92.51736	0.2
96.95924	0.4
101.02360	1.0
106.16399	0.3
113.02374	0.9
114.02641	0.3
119.03442	0.7
120.03788	0.3
125.02408	0.5
131.03413	0.2
137.02364	0.3
143.03464	0.3
149.09631	0.3
150.10010	0.3
156.24686	0.3
161.04489	0.4
165.01871	0.9
167.09471	0.2
167.10750	1.0
168.11089	1.2
169.11296	0.4
179.05588	0.6
180.04257	0.7
180.05800	0.4
195.06560	2.0
225.07785	0.8
243.16174	0.3
254.00009	0.2
277.12915	0.3
305.06818	0.7
313.72150	0.2
406.21991	0.5
407.22491	1.0
408.22833	2.4
469.18713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92441	0.2
59.01273	0.9
61.98718	0.6
68.91196	0.1
70.38126	0.6
71.01283	0.6
87.00770	0.2
93.03369	0.2
96.03822	0.1
96.95920	0.3
101.02397	0.3
113.02373	0.3
123.00842	0.3
123.04452	0.3
124.01610	0.4
125.02393	0.6
137.02364	0.4
139.03947	0.3
153.05515	0.5
160.01622	0.3
161.02357	0.2
161.04439	0.2
185.11790	0.3
220.07681	100.0
221.08023	9.9
233.08467	0.5
235.52167	0.2
247.08797	38.2
248.09135	4.3
305.17923	0.2
331.98242	0.2
337.09171	0.3
343.09396	0.1
347.00821	0.2
409.14478	0.3
469.08246	0.6
469.20886	0.2
470.14423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.9
57.03325	1.7
59.01255	3.2
60.58091	0.8
62.03886	0.7
65.87569	0.8
68.99685	0.9
70.11062	0.8
71.01273	6.4
71.04977	0.7
71.17023	2.0
72.99210	7.7
75.00764	6.4
78.95800	1.2
83.01265	2.4
85.02847	1.3
87.00770	2.6
89.02386	1.0
99.00787	7.7
111.00805	3.3
112.98730	17.7
113.99497	2.9
114.21633	0.9
115.00287	5.1
117.01858	1.4
124.98705	1.4
129.01857	1.1
135.02916	6.6
142.99811	20.5
144.00113	1.1
145.01404	1.1
156.00592	7.9
157.01367	1.0
166.65726	0.8
173.00882	14.7
174.01666	100.0
175.02350	9.5
179.14456	1.3
200.98882	1.0
207.13840	1.0
223.13518	0.8
235.13368	0.9
237.11407	4.8
238.19458	0.9
272.03113	0.8
279.12463	2.6
293.21317	14.0
294.21643	1.9
296.05460	0.9
305.21255	6.2
307.22916	2.0
319.22781	1.2
331.19244	2.5
333.20770	1.2
345.20871	6.7
349.20300	8.6
350.20499	0.9
363.21802	2.8
369.20795	1.1
371.18765	2.4
387.21768	1.1
389.19669	1.0
407.20895	5.2
408.21509	0.9
449.21976	4.4
458.43878	0.8
467.23090	4.3
468.23605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2816
Annotation	Antcin B
Peak:m/z	Relative Intensity
55.01776	1.7
57.03337	4.2
59.01268	0.6
61.98730	0.4
62.48790	0.3
62.49124	0.2
62.96300	0.3
65.03850	1.8
67.01781	2.1
71.50588	0.5
75.20883	0.3
78.95844	0.3
79.53210	0.2
81.03343	0.5
83.04933	0.8
93.03370	0.7
94.65578	0.2
95.01289	5.0
95.04922	1.7
97.02854	1.0
107.04955	0.4
108.02087	4.0
109.02869	13.1
109.06509	1.6
110.03217	0.3
111.04436	1.4
116.92783	0.5
119.04899	0.3
121.02905	0.5
122.03664	0.6
123.04431	1.3
124.05164	0.4
125.06094	0.3
135.04475	1.8
136.05246	2.8
137.02379	6.4
137.06018	1.5
138.02608	0.3
139.03940	0.4
145.02960	0.4
147.04439	1.3
148.05269	0.5
149.06044	3.0
151.03986	0.3
153.05540	0.5
156.04205	0.6
156.30052	0.3
161.06013	0.4
162.06808	0.4
163.07599	0.9
165.05527	0.4
166.06320	0.5
173.06154	0.4
189.09154	0.3
198.05360	2.7
199.05521	0.3
245.15494	0.3
247.17067	0.3
273.18649	0.7
275.20145	0.6
279.92151	0.3
281.12613	0.3
285.05707	0.3
287.20328	0.7
299.20316	0.9
301.21820	4.0
302.22269	0.4
311.20245	0.5
313.21906	1.9
315.23398	1.2
323.23767	0.3
327.23492	0.6
329.24747	0.3
339.23322	0.4
365.24957	5.1
366.25171	0.7
371.26050	0.8
381.23834	1.3
381.28171	1.1
391.22784	1.2
405.28088	0.5
407.25995	1.1
409.23941	6.5
410.24371	1.1
423.29321	2.9
424.29532	0.6
425.27139	1.6
449.27112	4.4
450.27322	0.4
467.28149	100.0
468.28482	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	467.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01299	2.1
57.03333	2.9
59.01262	12.0
64.16814	2.1
71.01286	8.3
71.16933	4.4
72.99218	11.5
75.00768	40.6
79.17892	2.1
81.03355	2.1
83.01279	2.8
85.02843	3.4
87.00785	6.0
98.20390	2.1
99.00781	19.3
99.40063	1.9
110.70274	2.2
111.00808	6.1
111.08115	3.3
112.98720	18.2
115.00281	11.4
117.01851	3.9
119.42533	2.2
135.02921	50.0
142.99796	26.1
147.04446	4.3
156.00581	3.3
161.06067	3.3
165.12836	8.7
173.00909	14.5
173.06076	3.0
174.01662	100.0
175.02451	19.7
175.07648	3.1
176.08313	3.4
177.05490	3.9
178.06334	5.6
178.42667	2.1
183.79434	2.5
229.15900	3.5
276.11014	2.4
277.21811	18.1
278.22070	3.1
280.44519	2.4
283.20764	4.0
287.20288	4.3
293.21335	17.0
299.20242	2.7
305.21265	26.2
306.21848	6.4
313.18216	3.4
317.21063	2.6
325.18216	2.6
327.19757	11.6
331.19208	30.0
332.12872	4.2
332.19672	5.4
333.20740	5.6
343.19171	2.9
345.20807	31.3
346.20905	4.6
349.20264	20.3
361.20245	5.3
369.20831	7.5
371.18695	55.8
372.18991	5.9
383.18820	7.9
387.21899	4.4
389.19992	13.8
395.18683	6.7
401.19757	8.0
407.20834	3.5
413.19876	11.7
431.20905	16.1
432.21457	3.5
449.21985	37.7
450.22281	7.0
467.23221	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	467.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02307	1.0
55.01785	1.5
57.03340	5.9
59.01263	7.2
59.69838	0.9
61.98719	3.7
64.19005	0.8
67.01793	1.0
69.03354	8.7
71.01273	23.7
71.04925	2.7
71.56123	1.5
72.99222	0.9
73.02832	6.7
78.95805	1.8
83.01276	5.4
85.02867	8.4
87.00777	1.9
89.02379	2.5
93.03367	4.7
95.01305	6.4
96.95982	1.0
97.02864	1.0
99.00787	3.2
99.24110	0.9
101.02352	17.5
103.14183	1.1
108.02057	1.7
109.02879	1.6
111.00797	3.6
111.04440	1.0
111.08066	1.0
113.02371	14.1
121.02873	2.7
121.06521	1.3
123.00813	68.5
123.04481	1.2
124.01598	100.0
125.02480	7.2
133.02870	2.0
134.03662	4.5
135.04454	3.4
137.02399	5.2
137.99533	0.9
138.03178	13.3
139.00322	4.2
139.03958	82.9
139.11229	23.6
140.04305	4.2
140.11504	1.2
143.03433	2.8
147.08141	1.1
149.06047	2.3
151.94209	1.0
152.99620	1.2
153.01912	1.4
159.02975	3.0
161.04518	24.8
164.12332	1.1
165.05562	1.8
165.09161	1.5
167.03537	2.2
173.04535	6.3
175.03920	1.9
177.01904	4.3
178.02666	6.5
179.03430	1.5
181.05069	1.7
183.10246	89.2
184.10640	6.4
191.03967	1.1
191.05554	6.4
205.03453	1.2
207.10260	1.2
225.11182	1.4
236.63324	1.0
244.86107	1.0
269.17590	1.9
275.09323	2.5
283.08347	2.4
293.10431	3.9
301.09277	6.0
327.14426	1.1
360.45096	1.0
363.11847	1.0
401.32465	1.0
449.15082	1.4
467.15741	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	467.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.8
57.03333	1.5
58.00476	0.9
59.01268	57.7
60.01583	0.7
61.98720	2.9
65.42789	0.5
69.03339	1.2
69.45881	4.9
71.01273	31.4
72.99192	2.4
73.02842	13.3
75.00766	40.3
76.01088	0.8
79.95633	2.1
81.29155	0.5
83.01277	9.5
85.02847	18.6
86.00002	0.8
87.00756	1.8
88.90470	0.6
89.02337	5.3
90.24534	0.5
95.01283	2.9
96.95924	7.4
97.02859	1.4
99.00784	6.3
101.02351	32.7
103.03917	0.8
103.64666	0.6
107.01282	1.4
108.88287	0.6
109.02843	1.4
111.00764	1.0
113.02364	15.4
115.03948	0.7
119.03408	1.2
123.00804	2.4
124.01594	4.7
125.02385	4.2
128.87505	0.5
129.01904	1.3
137.02357	0.7
139.00255	1.8
139.03975	3.8
140.01068	0.8
143.03427	2.4
153.01855	1.7
154.02612	0.6
155.03458	1.0
159.02959	2.8
161.04517	15.1
162.04851	0.5
167.03369	0.7
168.00587	1.4
175.06137	0.9
177.01901	1.3
179.05583	0.8
183.02994	5.1
189.01915	1.4
189.06699	0.6
191.05545	1.0
217.01454	1.8
231.03223	0.5
231.10289	0.7
231.98531	0.6
233.04494	0.9
247.08345	1.1
261.13495	47.2
262.13876	3.8
287.01938	0.9
305.11768	0.6
327.07199	1.7
357.06259	1.7
404.03180	0.6
407.19269	100.0
408.19598	12.7
451.18304	0.8
467.10526	6.8
467.16400	5.0
468.16879	0.9
478.52240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40062	0.5
57.03319	0.6
59.01267	1.7
71.01283	3.2
71.10716	1.5
72.99202	7.2
75.00770	5.9
83.01275	2.5
85.02824	0.6
87.00772	1.9
89.02335	0.8
98.54282	0.6
99.00797	5.2
101.39607	0.6
111.00800	2.3
112.98727	10.2
113.99512	1.7
115.00295	4.5
117.01875	1.2
124.98717	0.9
129.01883	0.9
135.02934	8.7
137.63177	0.5
139.11183	0.6
142.99814	17.6
145.01425	0.7
156.00616	7.1
165.12862	0.8
173.00883	11.0
174.01666	100.0
175.02380	8.5
185.11826	0.7
193.12384	0.7
207.13904	0.7
211.13297	0.6
223.75325	0.5
235.13489	1.0
237.11409	3.0
239.13028	0.6
277.21802	0.9
279.12512	1.5
293.21313	14.4
294.21646	2.3
305.21295	6.6
306.21948	0.8
307.22919	1.4
315.19763	0.6
319.22900	2.2
320.22992	0.7
327.19952	1.2
331.19229	0.9
333.20911	0.9
345.20691	5.0
346.20956	0.6
349.20291	9.8
350.20596	1.3
363.21808	1.5
367.21616	1.0
369.20837	0.7
371.18475	0.9
377.19781	0.6
379.21387	0.6
389.19873	1.2
407.20868	5.1
408.20804	0.6
419.45261	0.7
449.22055	4.1
450.22275	1.0
467.23053	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	467.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.6
59.01271	6.4
61.98708	2.0
65.77552	0.5
67.80795	0.6
68.99687	0.6
69.03355	0.7
71.01280	4.4
71.56037	1.0
72.99194	1.2
75.00778	4.2
78.95802	0.7
79.95634	17.0
81.03335	1.2
82.02547	0.6
83.01295	0.9
85.02837	2.0
87.00801	0.7
89.02341	2.3
89.02838	0.6
93.03370	1.5
95.01283	1.3
95.95126	1.1
96.95920	74.2
97.02844	0.8
101.02345	2.5
107.01292	2.0
108.02087	1.3
109.02869	21.8
111.00786	0.7
111.04420	2.0
112.03975	1.0
113.02364	1.3
117.03385	1.2
119.04964	1.9
121.02889	1.3
123.00802	5.0
123.04453	1.8
124.01595	10.1
124.03967	0.8
125.02380	12.5
133.02881	1.8
137.02388	2.2
138.03189	1.4
139.00284	1.1
139.02954	1.1
139.03955	12.7
140.01094	0.8
145.02870	1.8
147.04468	1.2
150.03127	0.8
152.01042	1.4
153.01904	0.9
153.05441	0.7
159.04437	1.0
161.02415	3.9
161.04535	1.2
163.03952	1.0
165.01791	1.0
165.05501	1.0
166.02782	1.1
166.05048	20.8
167.03455	8.1
168.00563	2.5
173.02348	0.7
173.04558	1.4
176.01100	0.8
177.01904	21.3
178.02208	1.1
179.03487	0.9
183.03003	6.9
184.06110	1.2
189.01917	53.4
190.02400	5.5
191.03459	4.6
191.05573	2.1
193.01314	0.9
203.03539	4.3
205.08662	0.8
207.06779	0.8
216.00638	6.0
217.01428	61.7
218.01765	5.7
219.02995	4.3
223.06142	0.9
231.02991	8.8
232.03537	0.9
233.04582	3.0
249.11433	0.9
261.04068	0.7
267.02939	1.0
275.09317	1.0
287.09723	4.6
288.09918	0.8
289.03561	1.0
293.10699	1.5
305.06784	1.9
321.04092	1.0
327.04803	1.3
327.07706	1.3
339.05170	1.0
357.06253	53.0
358.06598	6.8
407.18787	1.0
407.23508	1.0
467.10071	39.0
467.16025	100.0
468.10446	6.2
468.16345	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	467.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29934	1.1
57.03341	49.3
59.00998	2.6
59.01270	28.9
60.82884	1.4
61.98720	5.7
68.34556	1.1
68.58344	1.0
69.25586	2.7
69.26002	10.9
71.01275	11.4
72.99208	1.7
73.02831	2.7
89.02325	4.6
99.04422	20.5
101.02347	12.8
109.02867	20.4
111.04437	2.3
121.02872	1.7
123.00764	1.3
123.04414	1.9
124.01595	1.7
125.02373	20.0
133.02893	3.8
134.03491	1.4
137.02388	2.3
139.00223	1.5
139.03934	6.4
145.05151	1.5
145.07655	4.4
147.04550	1.5
159.04398	1.4
160.06371	10.4
161.02423	5.5
161.04498	11.3
161.07161	46.8
162.07599	1.7
167.03477	5.4
171.10233	37.6
172.10497	2.2
173.10858	1.9
175.08742	32.0
176.09201	2.8
177.01907	25.0
178.02278	1.3
185.10802	2.4
187.08780	5.9
189.01917	50.5
189.06677	78.5
190.02396	2.7
190.07033	5.6
191.03502	4.1
191.05664	1.2
201.10289	9.0
203.03500	4.7
203.08244	38.6
203.11926	9.9
204.08630	1.9
216.00697	6.9
217.01433	65.4
217.09691	1.2
218.01878	5.2
219.03000	5.3
229.09833	20.5
230.10069	1.6
231.02997	12.4
231.05174	1.7
233.04643	2.7
253.09381	3.0
277.11972	2.8
305.06519	1.7
305.11523	61.9
306.11902	5.9
323.12570	100.0
324.12909	10.2
327.05273	1.5
357.06259	53.0
358.06531	6.9
365.13602	15.3
366.14114	2.0
405.16876	2.3
407.19122	1.6
407.95679	1.2
425.81177	1.3
431.12527	1.5
467.10028	41.4
467.16718	7.2
468.10172	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	467.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.5
61.98728	1.7
69.44914	1.6
69.45331	1.0
71.01261	0.8
75.00782	0.4
78.95785	1.2
80.91580	0.7
83.02418	0.4
85.02856	0.3
87.00756	0.3
89.02338	0.5
94.72410	0.3
96.95905	1.0
107.01331	0.4
109.02877	1.4
111.00815	0.5
112.03928	0.3
119.04955	0.7
123.00781	1.0
123.04420	0.3
124.01612	0.6
125.02357	1.4
133.02846	0.4
137.02351	0.7
139.03905	0.5
145.02814	0.4
151.00282	0.9
153.01880	0.4
158.03687	0.5
159.04387	0.4
161.02408	0.8
163.04059	0.4
165.01857	0.4
166.05074	1.7
167.03430	0.8
173.04491	0.6
175.07620	0.5
177.01888	2.1
177.09233	0.5
187.07526	0.9
189.01945	3.4
189.05585	0.5
190.02226	0.4
191.03470	4.9
191.05406	0.8
192.04124	0.6
193.05121	0.5
202.02649	0.5
203.03464	0.6
205.05078	0.5
205.08635	0.5
217.01587	3.3
217.05028	8.3
218.05510	0.7
219.03004	4.6
220.03218	0.5
221.04504	0.5
231.03036	0.6
231.10156	0.4
233.04573	28.1
234.05035	2.4
245.04510	1.8
247.02550	0.7
249.11420	1.1
261.04102	57.2
262.04443	4.9
271.02512	0.6
272.03656	0.5
273.03983	0.7
274.04901	0.8
275.05719	1.3
285.04016	0.5
287.05521	0.5
289.03625	100.0
290.04156	14.3
291.04941	0.6
302.04309	0.5
303.05273	2.3
304.05957	35.8
305.06470	5.3
315.04886	0.4
317.06693	1.5
357.06284	2.8
362.49463	0.4
407.22693	0.4
452.09558	0.5
467.12027	88.3
468.12360	11.9
484.47330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0997
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
59.01267	2.2
61.98695	0.7
65.00228	0.4
69.82232	2.2
71.01279	0.8
72.99187	0.6
73.48637	0.4
78.95803	0.6
81.03377	1.1
83.26229	0.4
87.00784	0.5
89.02354	0.9
89.03847	1.0
91.00319	0.4
93.03365	1.1
95.01279	0.6
95.04905	0.5
96.95929	2.3
96.96866	1.2
99.00793	0.6
101.02365	0.4
101.63995	0.4
103.05446	0.6
105.03414	0.4
108.02083	0.8
109.02866	30.2
110.03222	1.3
111.04436	3.8
113.02407	0.4
117.03395	1.9
119.04977	2.5
121.02903	1.2
123.00821	2.1
123.04440	0.9
124.01589	1.1
125.02372	17.3
126.02687	0.6
133.02884	5.1
133.43933	0.4
134.03699	2.4
135.04436	0.7
137.02386	2.1
138.03067	0.7
139.03952	12.9
145.02893	2.8
147.04433	3.2
149.02422	1.0
151.03934	1.0
159.04495	1.1
161.02408	8.3
162.02824	0.5
163.03961	0.8
165.01854	1.0
166.02666	1.7
167.03464	7.2
173.04526	1.3
175.03972	0.4
176.01131	1.0
177.01897	33.4
178.02292	1.7
179.03497	1.9
187.04059	0.9
189.01907	81.4
190.02408	6.6
191.03476	7.1
191.05339	0.6
201.01967	0.7
203.03497	6.9
204.03717	0.4
215.03488	0.5
216.00667	9.7
217.01427	100.0
218.01776	7.8
219.02986	7.6
219.06474	0.6
220.03357	0.5
221.04419	0.5
231.03004	13.0
231.10423	0.7
232.03644	1.2
233.04543	5.3
238.27165	0.4
245.04559	0.4
267.03012	1.0
285.03925	0.5
285.08170	0.4
287.05853	0.6
293.10379	0.8
295.06229	0.6
305.06754	4.0
321.04050	1.8
327.05228	3.3
328.05643	1.2
339.05206	1.5
341.06598	0.4
357.06235	93.4
358.06586	10.6
407.23346	0.6
419.15155	1.1
467.09952	68.1
468.10327	10.8
468.16867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1205
Annotation	Catechin-4-ol 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
57.03336	0.8
59.01269	9.7
61.98714	5.2
65.61434	0.8
71.01273	7.6
71.61960	1.1
71.62348	0.7
72.99183	1.2
73.02820	2.0
75.00764	18.4
78.95796	1.7
83.01275	3.0
85.02848	4.0
87.00768	1.7
87.51764	0.7
89.02341	1.8
93.03368	0.9
95.01298	1.9
96.95922	3.9
99.00771	1.1
101.02355	4.8
107.01300	10.6
108.02076	1.9
109.02864	6.1
111.00784	3.2
113.02374	3.6
119.03384	1.3
121.02863	1.7
123.00806	20.1
123.04432	1.2
124.01598	24.7
125.02398	8.5
127.00257	2.0
132.11885	0.8
134.03696	1.7
136.98701	2.0
137.02393	3.8
138.03156	3.1
139.00325	7.4
139.03946	26.4
140.01123	6.1
141.01785	1.3
149.02368	1.6
149.06049	0.8
150.03160	1.1
151.00322	0.8
151.03963	1.4
152.01103	3.6
153.01878	5.4
153.05634	0.7
154.02632	2.7
155.03406	2.0
159.04521	1.0
161.02370	1.5
161.04485	1.4
166.99760	1.6
167.03477	6.6
167.44254	0.8
168.00603	12.2
169.01421	4.5
171.10201	1.0
173.04497	2.1
175.06117	0.8
177.01846	4.5
181.01353	1.5
181.05028	0.8
182.02176	2.4
183.02962	41.8
184.03331	2.4
189.01907	5.9
190.02637	1.2
191.05617	2.9
197.04556	1.1
203.03387	1.0
205.04831	0.8
207.02988	0.8
217.01442	6.5
225.04031	1.2
229.69934	0.8
231.03096	1.4
231.10339	1.2
233.04536	1.6
259.02481	0.9
261.13431	2.2
275.09314	2.2
285.07938	1.5
287.02057	4.0
293.10550	1.5
297.06305	3.8
305.06830	1.0
311.07748	1.3
312.04877	2.5
327.07300	18.3
328.07654	2.0
341.08743	1.7
357.06186	7.5
358.06601	1.5
407.18832	5.8
407.23706	1.6
452.09610	1.2
453.82986	0.9
467.11948	100.0
468.12167	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	467.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	2.4
61.98697	1.8
65.00225	0.4
67.71188	0.5
71.01257	1.0
71.18027	1.2
73.02824	0.6
74.63033	0.4
81.03326	1.2
83.04910	0.6
87.00787	0.6
89.02328	0.6
89.03853	0.7
93.03344	1.7
95.01289	0.6
96.95907	1.2
96.96809	0.6
97.02830	0.8
101.02337	0.9
103.05396	0.6
105.03396	0.6
108.02070	1.3
109.02866	26.4
110.03178	1.1
111.04433	3.0
113.02362	0.8
117.03349	1.2
119.04913	1.1
121.02837	1.8
123.00822	3.2
123.04440	1.1
124.01562	1.9
125.02369	20.1
133.01958	0.7
133.02882	7.8
134.03670	8.0
135.04494	3.2
137.02390	5.5
139.03947	10.5
145.02957	0.9
145.06703	0.5
147.04425	2.0
149.02368	1.4
151.03998	0.5
153.01865	0.6
159.04416	0.8
160.01671	0.6
161.02409	7.6
162.03069	1.5
163.03986	2.2
165.01889	1.8
166.02620	1.0
167.03464	10.8
168.03654	0.5
171.10168	0.5
173.02408	1.5
173.04504	2.2
175.03922	0.9
176.01022	0.5
177.01897	46.0
178.02301	2.6
179.03432	2.1
187.03972	2.5
188.04694	1.1
189.01915	39.1
190.02553	6.0
191.03531	2.9
191.05386	2.3
201.01788	0.7
203.03461	2.3
216.00630	9.9
217.01428	51.7
218.01804	3.5
219.03014	4.6
219.06581	0.9
222.01608	1.0
231.03008	7.9
231.10265	1.9
232.03668	1.1
233.04541	2.4
243.06581	0.5
245.08168	1.6
252.04112	0.9
253.05046	0.7
267.06522	0.5
275.09259	0.6
275.14920	0.7
279.03061	0.7
280.03741	2.5
281.04419	0.8
285.07416	0.5
293.10413	1.6
295.06091	2.9
297.04037	3.2
299.05658	2.8
305.06735	4.4
313.07269	2.1
327.04996	0.6
339.05115	0.7
357.06241	100.0
358.06564	11.5
407.19220	0.7
467.09949	38.6
467.15533	1.9
468.10278	7.3
468.16611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87341	0.8
56.75565	0.6
59.01266	2.6
60.01590	0.6
61.98713	1.2
70.22068	0.7
70.52177	2.1
71.01266	2.0
73.02814	1.0
75.00751	1.2
81.03355	1.6
81.78937	0.6
85.02856	0.9
89.02351	1.1
93.03368	1.6
96.95923	2.2
97.02878	0.9
97.28271	0.6
101.02375	1.0
104.30894	0.6
107.01327	0.7
108.02074	1.0
109.02866	31.2
110.03201	1.3
111.04424	4.1
113.02349	0.9
117.03391	1.4
118.23043	0.8
119.04998	1.6
121.02905	1.0
123.00794	1.4
123.04481	0.7
124.01620	0.7
124.83779	0.8
125.02369	14.7
133.02882	5.0
134.03662	1.3
135.47343	0.7
137.02382	2.8
139.03949	11.8
140.04330	0.7
145.02921	2.3
147.04451	2.7
147.17480	0.6
151.03896	0.9
159.04439	1.7
161.02408	8.7
161.04488	0.7
165.01900	1.1
166.02670	0.9
167.03474	7.5
168.03896	1.1
171.10283	4.6
173.04523	2.1
177.01913	31.1
178.02254	2.2
179.03488	3.1
181.08598	1.0
189.01910	84.3
190.02357	7.1
191.03481	7.5
191.05472	1.1
203.03493	6.6
216.00671	9.2
217.01431	100.0
218.01794	7.9
219.02983	7.7
219.39331	0.7
231.03001	14.2
232.03526	1.4
233.04558	4.1
256.07886	0.8
267.03098	1.2
293.10391	1.6
299.05710	1.9
305.06866	3.8
321.04193	1.0
327.05280	3.4
328.05438	1.0
339.05206	1.9
357.06253	95.2
358.06552	9.0
383.67752	0.6
407.18881	1.0
467.09921	84.8
468.10223	14.9
468.15900	1.4
470.74893	0.8
482.04364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0996
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
57.03335	2.5
59.01267	10.8
60.01582	0.7
64.38309	0.7
68.97539	0.7
70.41074	2.1
71.01268	4.1
73.02834	1.9
74.57422	0.6
74.78082	0.6
81.03364	1.9
83.04923	1.2
85.02831	0.7
87.00740	1.2
89.02340	2.4
89.03912	0.7
93.03353	1.1
95.01321	1.1
98.02363	0.8
99.04417	1.6
101.02346	4.7
103.03901	1.1
108.02066	1.6
109.02870	28.3
110.03241	1.0
111.04432	2.8
113.02364	1.0
117.03385	1.0
119.03449	1.3
119.04917	0.9
121.02884	1.4
123.00809	2.5
123.04412	1.2
124.01579	1.8
125.02373	19.9
125.03248	1.3
126.02615	0.8
129.68053	0.6
133.02908	6.5
134.03641	2.5
135.04460	0.8
137.02371	5.1
138.03171	0.9
139.03947	12.8
143.03471	1.0
145.02861	1.1
147.04472	1.8
149.02385	1.1
151.03932	1.1
159.04427	1.0
160.06371	0.9
161.02419	8.5
161.04523	1.3
161.07184	2.4
162.03200	5.2
163.03964	4.3
163.06064	4.8
165.01895	1.4
166.02692	2.0
167.03447	13.4
171.10237	14.8
173.02490	0.9
175.08794	1.5
177.01901	52.9
178.02306	3.2
179.03479	4.1
187.03972	2.7
189.01912	57.3
189.06731	3.9
190.02573	9.1
191.03551	3.9
203.03488	3.3
203.08238	1.6
205.07222	2.1
216.00655	10.8
217.01430	62.7
218.01729	5.6
219.02979	8.6
219.06461	1.0
229.09845	1.3
231.03030	9.0
232.03699	1.4
233.04602	2.9
245.08170	1.0
253.09322	1.4
267.03104	0.7
280.03662	1.8
287.05704	1.8
290.10736	0.7
295.06183	2.8
297.04065	3.0
299.05695	16.3
300.06064	0.8
305.06921	3.7
305.11520	3.8
313.07251	1.5
323.12531	7.5
324.12827	0.8
327.05225	1.1
329.06647	1.4
357.06241	100.0
358.06619	11.8
407.18909	3.0
449.31625	0.7
467.09927	58.8
467.32526	4.2
468.10217	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	467.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30942	0.4
59.01266	5.2
61.98722	2.6
67.01775	0.8
68.90131	0.4
69.03348	0.4
71.01270	3.5
71.52119	0.9
72.99203	0.7
73.02851	0.5
75.00770	5.5
78.95794	0.6
79.01078	0.4
79.95631	14.7
79.96100	0.9
80.96407	0.7
81.03349	1.0
85.02837	1.5
87.00786	0.9
89.02351	1.5
93.03369	0.9
95.01267	1.0
95.95111	0.7
96.95918	62.6
97.02896	0.5
97.95834	0.5
99.00801	0.9
101.02347	3.0
102.01997	0.4
107.01305	2.1
108.02095	0.7
109.02868	18.8
111.00805	1.1
111.04467	2.4
112.03947	0.5
113.02377	1.7
117.03399	0.7
119.04928	1.7
121.02922	1.3
123.00807	5.0
123.04468	0.7
124.01606	6.3
125.02371	11.3
127.00287	0.6
133.02902	3.1
135.04474	0.6
136.98959	0.5
137.02370	2.5
138.03149	1.8
139.00346	1.5
139.02873	0.5
139.03954	11.2
140.01068	1.0
145.02876	0.9
147.04436	1.5
149.02452	0.5
151.03902	0.9
152.01091	1.2
153.01892	1.3
154.02599	0.6
155.03421	0.6
161.02388	5.1
161.04553	1.1
163.03937	0.6
165.01930	1.4
165.05569	0.8
166.02722	1.2
166.05043	7.2
166.99763	0.5
167.03473	6.3
168.00586	2.2
168.04071	0.5
169.01335	1.0
171.10292	0.7
173.04480	1.3
176.01096	0.6
177.01903	19.0
178.02161	1.0
179.03413	1.1
182.02124	0.5
183.02963	6.9
187.07762	0.8
187.95482	0.5
189.01915	46.3
190.02463	4.1
191.03481	4.8
191.05432	1.0
192.04005	0.8
195.06651	0.8
203.03511	4.1
208.03859	0.8
215.03557	0.5
216.00671	5.1
216.44894	0.4
217.01437	59.1
218.01788	4.2
219.03056	3.4
220.77141	0.5
223.06142	1.1
231.02972	7.5
233.04588	2.9
244.16554	0.5
257.31131	0.4
265.85825	0.5
267.03046	0.5
275.09381	1.6
287.09653	3.8
289.03619	0.9
293.10504	0.7
305.06793	3.0
305.10086	0.7
321.03732	0.7
327.04425	0.8
327.07425	2.4
328.05518	0.6
339.05194	1.2
357.06256	58.1
358.06494	5.7
362.07922	0.5
435.69397	0.5
467.10239	36.9
467.16104	100.0
468.10587	5.7
468.16397	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	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74038	0.3
55.01775	0.4
57.03337	0.9
59.01268	32.4
60.01602	0.4
61.98719	3.4
66.58533	0.3
71.01270	9.8
71.52322	0.5
72.22672	0.3
72.99194	3.8
73.02840	3.0
74.02357	1.2
75.00768	100.0
76.00263	0.3
76.01093	0.8
83.01280	0.6
84.03150	0.3
85.02843	3.4
87.00790	0.9
89.02340	7.6
93.03321	0.4
95.01289	0.8
96.95894	0.4
98.02410	0.6
99.00794	1.6
101.02349	6.3
107.01279	0.5
109.02877	1.6
111.00784	0.6
113.02353	4.5
119.03431	3.1
123.00821	1.3
123.04440	1.1
123.08054	0.3
124.01579	1.1
125.02377	4.2
129.01909	0.5
131.03464	0.7
137.02313	0.7
138.03195	0.5
139.00224	0.4
139.03972	1.4
141.01932	0.9
143.03455	0.7
148.04053	0.5
149.04483	0.5
151.00313	2.2
151.03905	0.4
152.01114	2.8
153.01927	0.7
155.10747	0.5
159.02997	0.8
161.04510	4.6
165.01874	0.9
166.02661	0.3
167.03506	0.8
169.05029	0.5
177.01936	1.3
178.99808	3.8
179.03474	0.6
179.05586	2.8
185.04379	0.7
189.01880	0.5
207.13860	0.5
217.01440	0.7
225.07829	0.4
225.14961	0.8
229.05107	0.4
241.03378	1.0
241.09894	0.4
243.16187	1.6
245.04749	0.5
285.04230	0.8
285.08783	0.4
297.06311	0.7
300.02820	0.4
303.05225	0.7
303.08972	1.1
305.06845	0.7
333.06241	9.9
334.06900	0.5
387.20343	1.1
405.21387	13.5
406.21829	1.5
465.10602	3.6
465.23761	0.6
466.10361	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20899	1.6
57.03333	4.1
57.51395	1.6
58.00471	1.8
59.01265	100.0
61.98717	6.8
64.81873	1.4
69.65311	10.5
71.01270	36.3
72.01637	2.0
72.99199	10.5
73.02824	5.0
75.00764	84.2
76.01099	1.7
83.01273	4.3
85.02856	10.8
87.00772	2.9
89.02338	26.7
91.00266	7.0
93.03320	2.1
95.01295	2.3
95.37228	1.4
96.95915	2.7
98.19812	2.9
99.00780	4.7
100.35146	1.7
101.02348	24.1
108.04488	2.7
109.02860	5.3
110.21768	1.4
113.02344	12.1
119.03435	11.5
123.00798	3.5
123.04460	2.3
124.01567	2.3
125.02339	5.2
131.03450	2.1
133.02904	2.6
135.04411	2.9
137.02357	5.6
137.09665	2.7
138.03163	1.5
143.03389	3.0
146.02321	1.3
149.04449	1.5
151.00381	1.5
151.16711	1.2
152.03479	1.7
153.01872	1.5
153.05547	2.4
160.32454	1.3
161.02361	6.1
161.04477	7.5
162.02736	2.7
167.03464	4.5
171.96265	1.3
177.01877	8.9
179.05629	7.6
181.08688	4.5
181.12299	1.4
186.33249	1.4
189.01923	9.8
193.22287	1.6
201.02037	2.0
203.03488	1.5
209.11800	2.0
217.01402	4.2
225.15050	2.5
226.40669	1.5
243.16019	2.9
255.03139	2.0
297.04034	1.9
303.13586	2.1
303.21790	4.2
311.07840	2.3
325.03656	1.5
327.05115	3.5
333.19156	2.0
345.11624	1.4
355.04623	2.8
375.25171	1.6
405.21365	18.6
406.21481	2.5
423.07144	3.2
436.95300	1.7
465.08554	4.7
465.14359	7.2
465.27155	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	465.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.4
57.03334	0.9
57.53844	0.9
59.01262	6.3
59.72784	1.0
61.98715	3.3
67.35775	0.8
68.99708	1.0
69.03342	4.1
69.47349	2.2
69.47745	6.3
71.01271	10.5
71.61617	0.9
72.99184	0.9
73.02835	2.4
75.00768	4.4
81.03358	1.0
83.01309	1.8
85.02832	4.7
89.02341	1.7
90.94661	1.0
93.03363	38.6
94.03685	1.4
95.01286	2.8
97.02849	2.5
99.00785	1.5
101.02349	10.0
107.01281	4.5
108.02084	3.4
109.99987	1.2
113.02367	3.8
121.02880	3.0
123.00761	2.2
123.04455	1.1
125.02364	8.6
136.01591	5.7
137.02379	72.0
137.99510	2.0
138.02780	4.0
139.00304	1.5
140.68611	1.0
147.04454	2.3
151.00333	6.5
151.03960	1.4
153.01881	61.4
154.02380	2.8
161.04538	1.2
168.04237	62.5
169.04645	3.3
177.01935	1.1
179.03439	1.1
183.06583	16.7
191.03548	1.7
206.89180	1.0
214.00372	1.1
221.04677	1.5
242.05893	7.7
243.06616	4.7
250.92181	1.0
267.12405	7.6
281.06732	100.0
282.07132	7.7
285.03305	1.4
297.06287	3.7
297.26443	1.0
301.20352	1.0
353.70541	1.0
385.27576	1.0
387.23511	1.0
405.12094	7.9
465.14178	57.2
465.27124	4.7
466.14499	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	465.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.4
58.00473	1.3
59.01267	100.0
61.98699	1.9
71.01272	26.0
71.18786	1.7
72.99169	1.3
73.02834	3.0
74.85079	0.7
75.00766	4.6
83.01278	1.2
83.04934	1.4
85.02853	8.2
87.00789	1.9
88.98711	0.8
89.02345	26.4
95.01279	1.9
96.95887	1.0
101.02351	17.9
106.39047	0.7
108.46335	0.7
113.02362	12.2
119.03426	15.0
125.02374	4.3
125.11900	0.7
131.03412	1.8
143.03424	2.6
149.04501	2.0
149.09662	14.3
153.01872	1.0
161.04488	13.6
162.04860	0.9
167.09297	1.5
167.10733	29.7
168.11002	1.1
177.01892	1.0
179.05576	14.5
179.07112	0.5
188.74626	0.8
207.13919	0.8
225.14949	7.3
243.16083	5.6
259.08270	1.4
275.05670	1.0
285.04120	2.4
291.92633	0.9
303.05200	4.7
320.07648	0.8
405.14536	2.6
405.21408	70.4
406.21738	8.0
438.38290	0.9
449.19705	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	1.7
55.50857	1.3
57.03351	2.2
58.00490	1.8
59.01266	96.7
60.01590	1.9
61.98709	7.0
69.62981	1.9
69.63392	7.9
71.01272	34.0
72.99197	12.7
73.02834	6.8
75.00766	100.0
83.01280	4.2
85.02835	11.8
87.00772	3.2
89.02348	25.5
91.00267	10.8
93.03370	3.1
95.01285	2.5
96.95916	2.4
99.00786	2.0
101.02361	23.9
105.98721	1.5
108.04469	2.8
109.02853	6.4
112.85677	1.1
113.02361	15.9
118.32416	1.3
119.03422	12.7
122.06030	1.4
123.00819	2.7
123.04460	3.2
124.01556	1.4
125.02373	4.2
127.59468	1.3
133.02847	1.8
137.02379	6.7
138.03098	1.7
138.05522	1.2
143.03416	2.9
152.03430	1.7
153.01866	2.9
153.05540	3.7
161.02390	5.9
161.04469	6.8
163.02838	1.4
166.02823	1.7
167.03435	4.3
177.01881	6.1
179.05565	7.2
185.56198	1.4
189.01984	6.5
191.03490	1.5
191.05460	1.6
217.01408	3.8
225.14992	3.8
243.16156	3.8
251.03625	1.2
303.21896	2.6
311.07761	2.1
327.05063	2.1
355.04697	3.2
405.21323	23.0
406.21948	3.2
407.29288	1.3
423.07281	2.3
465.14404	9.7
465.27432	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	465.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.3
57.03341	12.2
59.01268	68.6
61.98719	8.6
65.00231	2.6
65.22349	1.0
65.84128	1.0
67.01702	1.0
69.03359	1.2
69.61494	7.7
71.01275	24.8
72.01623	1.1
72.99204	3.8
73.02827	3.8
75.00756	4.4
75.13113	1.0
83.01283	6.7
83.46133	1.0
85.02852	7.6
87.00775	3.4
89.02339	17.7
89.22345	1.1
92.75127	1.3
93.03352	6.9
95.01286	6.7
96.95902	1.5
99.00768	1.2
101.02353	18.0
107.01299	3.1
108.02056	3.6
109.02870	9.3
110.00051	1.1
111.00816	1.8
112.12871	1.1
112.77069	1.1
113.02367	11.0
114.02658	1.0
119.03432	7.4
121.02895	2.9
123.00800	4.0
123.04445	3.8
124.01585	11.8
125.02374	100.0
126.02726	3.6
128.34361	1.1
131.03416	1.2
137.02393	13.1
138.03174	2.6
138.05539	3.4
139.00293	3.8
139.03940	4.5
143.03407	1.3
147.04486	1.7
149.02405	5.6
150.03183	3.2
151.00337	9.8
151.03970	6.3
152.01111	15.7
153.01863	10.2
154.02155	1.1
161.02382	1.8
161.04485	5.0
163.00319	1.4
164.03503	9.3
166.02664	1.8
167.03442	3.2
168.00630	3.5
168.04257	6.1
169.01372	1.2
173.06033	1.3
174.03142	1.8
175.03943	5.0
176.01109	3.0
177.01875	6.5
178.99844	10.4
179.05589	4.3
183.02972	8.4
183.06612	2.8
187.03967	1.1
188.04683	2.1
189.01973	2.5
189.05463	4.9
191.03484	2.0
193.05000	2.7
199.03987	1.7
201.01859	1.4
203.07143	1.2
203.12822	3.0
213.05705	1.6
215.03413	1.5
215.07060	2.0
217.01486	2.9
217.05067	10.1
217.10896	1.4
219.03001	1.6
231.06686	2.2
241.05008	2.1
243.03027	1.5
243.16060	4.6
257.04626	1.9
258.05386	1.3
259.06186	12.7
274.04889	1.5
275.05774	8.7
281.06757	11.8
284.03345	1.6
285.04132	26.8
286.04431	2.4
287.02066	2.1
303.05231	12.6
304.05554	1.4
315.01627	2.1
332.01898	3.4
355.04691	2.6
391.10236	1.3
405.21399	69.3
406.21683	3.4
421.11832	1.8
437.11008	18.2
438.11206	2.1
447.09357	7.5
465.10498	98.8
466.10797	10.3
489.41299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.105
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03339	12.4
59.01266	12.8
61.98729	2.1
63.02284	0.5
65.00214	2.9
66.56662	0.4
68.99693	0.5
69.03342	0.7
69.47255	3.3
71.01273	4.0
72.99199	0.9
73.02850	0.5
75.00756	2.9
78.59557	0.4
81.03363	0.7
83.01263	4.5
85.02834	1.1
87.00799	0.6
89.02329	3.4
93.03366	1.0
95.01286	4.4
96.20639	0.4
96.95908	1.3
96.96854	0.5
98.19815	0.8
101.02353	1.9
107.00757	0.3
107.01329	3.1
108.02061	1.3
109.02866	5.3
111.00792	1.9
113.02364	1.5
116.97960	0.4
119.03421	1.0
121.02899	2.0
123.00809	3.6
123.04450	5.0
124.01604	8.1
125.02372	100.0
126.02705	3.0
133.02884	1.1
135.00838	0.8
135.04428	0.9
137.02364	4.3
138.03125	0.7
139.00275	1.3
139.03934	1.6
147.04417	1.4
149.02390	4.6
149.06073	0.6
150.03172	3.7
151.00317	11.5
151.03951	6.3
152.01096	13.9
153.01903	7.2
161.02347	0.5
161.04453	1.3
161.05908	0.9
163.00334	1.0
163.03896	0.8
165.01860	0.7
165.05548	1.2
166.02725	0.6
168.00644	0.6
169.01335	1.0
171.04446	0.7
172.05118	0.5
173.02495	0.5
173.06013	1.6
174.03181	1.7
175.03990	6.0
176.01128	2.5
177.01898	5.7
178.99821	7.8
179.05573	1.0
181.01369	0.7
183.06648	0.5
187.04001	0.7
188.04799	2.1
189.01880	1.0
189.05579	4.5
191.03432	2.3
191.05429	0.6
191.07114	0.9
193.05067	3.5
195.87737	0.5
197.06125	0.6
199.04019	2.7
201.01871	0.7
203.07065	0.9
213.05602	1.1
215.03499	1.0
215.07225	1.1
216.04298	1.2
217.01424	1.2
217.05057	9.9
218.02176	0.4
218.05504	0.6
219.02924	1.1
229.04967	0.5
230.05859	0.5
231.06650	2.0
241.05104	1.9
242.02127	0.8
243.02994	0.7
243.88277	0.4
245.04526	0.6
256.03854	0.7
257.04581	1.4
258.05276	1.1
259.06165	11.0
260.06479	1.0
274.04959	2.5
275.05627	8.0
276.06036	0.7
281.06757	1.3
284.03387	1.7
285.04132	26.4
285.12521	0.9
286.04410	2.0
303.05148	10.8
303.08609	0.8
303.12473	0.7
304.05600	1.1
325.03494	0.5
327.05170	0.6
405.21515	2.3
421.11444	2.0
422.11841	0.5
426.09860	0.4
437.11011	17.3
438.11255	2.8
447.09390	9.4
448.09756	0.9
465.10495	88.9
466.10822	12.8
466.17969	0.6
466.20169	0.4
473.55997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1051
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03345	6.9
59.01266	50.3
65.00193	2.4
71.01273	12.2
71.27219	2.2
73.02863	1.5
83.01294	5.5
85.02828	2.9
89.02345	11.8
92.37077	1.1
95.01270	1.7
96.95934	3.4
97.08320	1.1
101.02324	6.9
106.96233	1.2
107.01318	6.1
109.02854	4.3
113.02356	5.9
114.77363	1.0
119.03443	6.1
121.02890	1.8
123.04429	4.1
125.02371	100.0
126.02708	2.5
131.01291	1.4
137.02386	3.8
139.03928	2.9
143.03355	2.0
149.02385	13.9
149.09674	6.3
150.03030	2.0
151.00304	26.3
151.03944	3.0
152.01031	2.7
153.01888	25.0
161.04480	3.1
163.03947	1.4
165.01851	2.2
167.03442	3.0
167.10713	12.2
169.01414	2.2
174.03108	2.3
175.00311	5.3
175.03967	10.2
176.04343	1.3
177.01895	16.0
178.99825	21.9
179.05608	5.3
180.00082	1.7
181.01418	12.9
188.04752	2.7
189.05484	3.5
191.03476	2.2
195.02863	2.0
199.03979	5.5
201.01761	1.7
208.74324	1.1
213.05611	1.2
216.04376	1.4
217.05104	6.9
223.02570	1.3
225.15001	2.6
231.06805	1.5
241.04991	4.3
259.06070	2.9
275.05664	20.3
276.05954	2.6
285.04129	49.4
286.04523	4.1
299.05841	6.2
303.05170	85.5
304.05539	6.9
341.05270	6.5
343.06683	4.8
405.21420	18.1
437.11087	2.0
447.09207	3.2
465.10126	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1067
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
54.04750	0.9
55.01770	1.1
57.03339	11.6
59.01268	51.9
60.01590	1.4
60.24280	0.9
61.98713	10.3
65.00210	2.3
66.14382	0.9
69.34257	4.2
69.34686	5.0
71.01273	17.5
72.99201	4.1
73.02828	2.3
75.00760	3.8
81.03286	0.9
83.01268	5.0
85.02834	5.4
87.00794	1.7
89.02339	14.0
93.03348	6.2
95.01299	5.0
96.95887	1.1
99.00787	2.3
101.02361	14.4
107.01338	2.5
108.02108	1.8
109.02860	9.0
111.00784	1.7
113.02363	8.5
119.03392	5.4
121.02895	2.9
123.00816	3.8
123.04451	4.5
124.01608	11.7
125.02374	100.0
126.02731	3.4
135.04494	1.2
137.02377	13.2
138.03160	3.3
138.05531	2.3
139.00360	2.9
139.03929	4.2
143.03436	1.3
149.02390	5.4
150.03156	3.0
151.00323	12.8
151.03946	6.1
152.01099	16.4
153.01924	9.7
155.10799	1.1
158.12633	0.9
159.04454	1.8
161.02423	1.3
161.04507	4.2
164.03479	7.4
165.05476	1.0
166.02692	1.5
167.03421	1.7
168.00630	5.0
168.04253	6.8
169.01360	2.0
173.06052	1.3
174.03235	1.3
175.03960	8.9
176.01141	1.5
177.01900	7.8
178.99847	10.3
179.05611	3.3
180.05977	1.3
183.02995	7.9
183.06604	2.3
188.04816	2.0
189.01859	1.5
189.05547	4.4
191.03444	1.9
191.05725	1.2
193.01396	1.3
193.05095	2.9
199.04048	1.7
207.02914	1.0
215.07278	1.0
216.04329	2.1
217.01567	2.0
217.05116	8.8
219.02983	2.3
230.63539	1.1
231.06534	1.5
241.05009	1.8
243.03113	2.1
243.16087	2.3
245.04590	1.1
252.12184	1.2
257.04620	1.9
259.06201	12.4
274.04865	2.5
275.05688	8.7
281.06726	12.0
284.03357	2.9
285.04111	27.0
286.04474	1.9
287.02155	2.7
303.05264	12.6
303.08594	1.7
304.05356	1.3
315.01578	3.8
325.03497	1.5
332.01727	5.2
355.04776	1.1
405.21390	39.6
406.21802	3.8
421.11322	2.3
423.07260	1.8
437.10959	16.4
438.11633	1.6
447.09424	9.8
465.10562	98.9
466.10629	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	463.3077
Annotation	ponasterone A
Peak:m/z	Relative Intensity
59.01274	1.6
60.66799	0.3
71.33195	0.6
72.68342	0.2
75.69884	0.3
78.95769	0.4
80.96407	0.7
93.05979	0.3
99.30490	0.3
106.04128	0.4
117.03389	0.4
121.02838	0.8
132.02078	0.5
133.02884	12.4
134.03696	4.8
135.04469	5.5
137.02377	3.3
139.03961	1.3
140.28139	0.3
145.06027	0.4
150.03253	0.4
152.99538	0.4
156.68594	0.3
157.59506	0.3
161.02400	29.4
162.02725	0.8
171.10214	1.3
178.02686	1.1
179.03496	1.9
217.00381	0.8
291.19730	0.8
309.20886	1.6
428.72205	0.4
449.21921	0.3
461.29016	0.6
463.30777	100.0
464.31122	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	463.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.7
59.01261	6.3
63.90821	1.0
69.33955	7.5
69.34369	3.1
78.95821	1.1
80.96408	1.4
89.02364	0.9
95.01913	1.0
111.08068	2.6
125.09673	1.5
127.11197	2.3
151.11212	1.6
151.34819	1.0
153.09166	1.5
153.12746	3.0
155.10735	1.0
167.10744	1.2
169.12157	1.3
171.10234	58.3
172.10576	4.1
179.14395	1.7
179.34558	1.1
181.12323	3.1
197.11714	1.4
207.13890	1.9
209.11876	1.2
215.12805	1.5
227.12895	1.2
247.20778	6.9
273.18637	1.7
291.19763	38.5
292.20078	4.1
309.20804	100.0
310.21109	10.2
323.22375	1.9
427.28522	1.1
445.29672	10.6
446.29871	1.3
463.30576	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	464.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.2
61.98720	100.0
69.26209	0.2
71.01271	0.3
71.54266	0.4
71.54601	0.3
78.95798	16.6
85.95050	0.2
87.46263	0.2
96.95882	0.2
96.96855	1.7
113.02393	0.2
120.87907	0.2
128.03485	0.3
135.33679	0.2
136.05167	0.2
145.44739	0.2
150.97972	0.4
152.99536	25.2
153.99876	3.7
155.00002	0.8
171.00565	1.2
172.00984	0.3
353.67242	0.2
464.21472	4.6
465.22299	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	463.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	1.0
57.03335	0.7
58.00478	0.4
59.01267	8.8
60.01598	0.2
69.03352	0.8
69.29211	0.7
69.29638	1.1
71.01273	12.3
71.04924	0.2
72.99216	0.5
73.02844	3.7
75.00767	0.6
75.78024	0.2
80.02572	1.3
81.03354	1.2
82.12813	0.2
83.01279	2.0
83.04920	5.3
84.02061	1.5
84.05254	0.2
85.02345	0.4
85.02848	4.8
87.00770	1.2
88.98629	0.2
89.02345	5.6
92.48088	0.2
93.03315	0.3
95.01289	1.3
95.04955	0.7
97.02854	1.2
99.00776	1.6
101.02350	8.4
107.01312	0.3
107.04907	0.2
109.02895	0.3
113.02367	5.0
114.02670	0.2
115.03950	0.3
119.03412	1.0
123.00792	1.3
124.01595	5.7
125.02378	10.5
125.05961	0.6
126.02734	0.4
131.03436	0.5
132.02110	0.7
133.02875	1.2
134.03693	1.0
135.04533	0.4
135.08102	0.8
137.02342	0.4
139.03970	0.4
143.03442	0.6
147.04463	0.2
147.11716	0.2
149.04524	0.3
149.06030	0.2
151.00291	1.3
159.02934	0.6
160.01613	3.0
161.02406	3.5
161.04498	4.4
163.00290	0.6
163.11234	4.9
164.11478	0.2
165.12801	3.2
171.04503	0.3
175.03978	2.6
178.99840	0.6
179.03471	0.5
179.05519	0.4
181.12321	0.8
185.21878	0.2
187.04019	0.4
191.10728	0.9
193.05020	0.6
199.03987	0.3
199.13417	0.3
203.03497	1.2
209.11830	100.0
210.12167	7.5
215.03456	1.2
227.12907	16.0
228.13130	0.9
231.03094	1.3
235.08296	0.3
241.01518	0.3
243.03040	2.0
253.09335	11.5
254.09683	0.7
258.01868	0.2
259.02493	3.6
260.03003	0.3
269.00925	0.3
270.01675	0.5
271.02542	4.1
272.02902	0.4
286.01202	0.7
287.02051	5.9
288.02390	0.8
300.02872	0.6
301.03656	1.2
315.01556	12.8
316.02026	2.7
321.04706	0.2
323.07785	0.6
330.03879	15.8
331.04507	4.3
331.17667	2.4
332.05002	0.2
332.17993	0.4
337.09433	0.9
380.27042	0.2
463.08002	10.2
463.21954	10.6
464.08295	1.8
464.22412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27365	0.4
52.57630	0.4
55.01769	0.5
56.26032	0.4
57.03341	1.0
58.00484	2.7
59.01265	100.0
60.01611	1.5
64.63084	0.5
66.30431	0.4
69.40279	0.6
69.40682	3.1
69.91461	0.3
70.25564	0.3
71.01272	45.4
72.01613	0.9
72.99191	3.7
73.02838	1.0
75.00762	0.8
81.03311	0.4
83.01279	1.6
85.02847	7.0
87.00771	2.7
89.02340	62.1
90.02673	0.8
93.03314	0.6
95.01288	3.3
99.00763	0.9
101.02345	20.7
113.02357	18.4
119.03422	22.4
120.03745	0.6
125.02349	0.7
131.03444	3.7
137.02290	0.5
143.03430	5.8
149.04463	2.0
155.54475	0.4
161.04500	7.9
169.17622	0.4
174.77443	0.4
178.99806	0.5
179.05579	22.4
180.05833	0.7
191.03516	0.4
205.12254	0.9
209.11731	0.7
227.12843	1.2
303.30826	0.5
305.16000	0.8
312.05807	0.4
331.01007	0.6
349.78381	0.4
403.15637	2.0
403.20517	4.2
463.21835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01266	35.6
60.01595	0.9
61.98712	3.4
71.01276	15.7
71.60203	0.7
72.98785	1.6
72.99199	29.3
73.02838	16.4
73.99550	0.5
74.02371	2.8
74.03167	0.6
75.00766	100.0
76.01115	0.7
83.01308	0.9
85.02838	3.3
87.00777	4.0
89.02343	12.8
93.03334	0.8
95.01283	0.7
96.41444	0.6
96.42970	0.6
96.95866	0.7
99.00775	4.3
101.02354	7.9
109.02886	1.8
110.03171	0.7
111.00755	0.8
113.02368	6.5
115.00301	0.9
119.03423	6.5
121.02889	1.2
123.00819	0.9
123.68858	0.5
127.03964	1.1
127.07480	0.7
133.02924	0.9
135.04437	1.2
137.02391	0.9
139.00325	0.8
139.07614	0.8
141.05455	0.7
143.03426	2.0
146.02415	2.7
147.02716	1.0
149.02379	0.7
151.00368	1.0
152.01091	1.8
153.01889	2.8
154.02219	2.2
159.02985	1.1
161.02403	2.4
161.04533	6.3
162.01834	1.0
162.57576	0.6
167.85112	0.7
173.04549	0.6
175.02525	0.6
177.03932	0.6
179.00034	0.7
179.05583	7.9
179.10715	0.9
183.10173	0.7
184.03925	4.3
184.74130	0.6
191.05566	0.9
195.02890	3.2
196.03273	3.6
198.03195	0.6
199.03781	0.8
201.11281	0.8
205.12354	0.9
209.11826	9.9
210.12213	1.2
212.03619	2.3
223.13445	2.2
226.02635	1.0
227.03452	4.0
227.12901	2.2
228.04095	3.8
229.04884	8.3
230.05444	8.7
240.03076	9.9
241.14497	3.6
245.08463	1.1
252.03238	0.8
253.03511	1.2
253.09303	1.6
254.02228	1.2
255.02818	3.6
255.05209	7.4
256.03265	1.9
256.05621	8.9
257.03650	1.9
282.03778	2.4
289.07300	0.7
299.04648	0.9
300.04852	3.5
301.07486	1.4
307.14157	1.3
385.19003	1.8
403.19687	7.2
403.24335	0.7
404.20148	1.0
418.08945	1.6
445.10410	1.6
463.11075	22.7
464.11313	2.8
464.20737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27365	0.4
52.57630	0.4
55.01769	0.5
56.26032	0.4
57.03341	1.0
58.00484	2.7
59.01265	100.0
60.01611	1.5
64.63084	0.5
66.30431	0.4
69.40279	0.6
69.40682	3.1
69.91461	0.3
70.25564	0.3
71.01272	45.4
72.01613	0.9
72.99191	3.7
73.02838	1.0
75.00762	0.8
81.03311	0.4
83.01279	1.6
85.02847	7.0
87.00771	2.7
89.02340	62.1
90.02673	0.8
93.03314	0.6
95.01288	3.3
99.00763	0.9
101.02345	20.7
113.02357	18.4
119.03422	22.4
120.03745	0.6
125.02349	0.7
131.03444	3.7
137.02290	0.5
143.03430	5.8
149.04463	2.0
155.54475	0.4
161.04500	7.9
169.17622	0.4
174.77443	0.4
178.99806	0.5
179.05579	22.4
180.05833	0.7
191.03516	0.4
205.12254	0.9
209.11731	0.7
227.12843	1.2
303.30826	0.5
305.16000	0.8
312.05807	0.4
331.01007	0.6
349.78381	0.4
403.15637	2.0
403.20517	4.2
463.21835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.3
59.01047	2.0
59.01381	5.9
69.03445	0.6
69.65255	1.2
69.65681	0.8
71.00964	1.1
71.01401	5.8
72.99319	0.3
73.02533	0.4
73.02972	2.3
75.00877	0.6
75.83028	0.3
80.02705	0.9
81.03487	1.3
83.01410	1.0
83.05054	3.3
84.01756	0.3
84.02199	1.0
85.02982	2.1
87.00841	0.4
89.01891	0.5
89.02474	4.5
90.01988	0.3
91.62074	0.3
95.00855	0.3
95.01418	0.7
95.05027	0.6
97.02975	0.8
99.00912	0.9
101.01769	0.4
101.02480	5.4
102.00245	0.3
102.57573	0.3
107.01370	0.3
113.02364	2.7
115.17586	0.3
119.03514	0.7
123.00781	1.8
124.01586	5.9
125.02381	9.3
125.06101	0.3
131.03511	0.4
132.02190	0.8
133.03009	1.0
134.03769	0.8
135.04572	0.6
135.08209	0.4
137.02446	0.4
151.00380	1.2
153.12723	0.3
159.57635	0.3
160.01624	3.0
161.02423	4.0
161.04475	2.8
162.02649	0.3
163.00388	0.4
163.11247	3.9
164.11627	0.3
165.12802	1.4
175.03955	3.0
176.04523	0.3
178.99905	0.6
179.03517	0.6
179.05508	0.4
181.12283	0.3
187.03996	0.3
191.10809	1.0
193.05121	0.5
199.03880	0.3
199.13345	0.5
203.03506	1.1
209.11821	100.0
210.12166	7.6
215.03452	1.5
227.12891	20.2
228.13264	1.5
231.02980	1.1
231.13260	0.3
235.08195	0.7
243.03030	1.8
244.03470	0.3
250.37744	0.3
253.09326	14.8
254.09628	0.6
259.02588	2.9
271.02502	3.4
272.02838	0.4
286.00916	0.4
286.99210	0.4
287.02039	5.7
288.02338	0.6
294.82813	0.4
301.03333	0.8
315.01511	11.7
316.02042	2.4
323.07675	0.6
330.03867	18.1
330.07764	0.6
331.04495	5.4
331.17740	1.6
337.08896	0.9
386.09082	0.3
463.07922	14.4
463.21005	7.0
464.08200	2.3
464.21573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46798	0.1
59.01261	0.6
61.98728	1.0
62.96310	0.3
71.01285	0.2
78.95798	55.9
85.02823	0.1
96.96867	6.9
100.41313	0.1
101.02322	0.1
150.97968	2.0
152.01059	0.1
152.99535	100.0
153.99869	1.8
171.00600	4.7
172.00790	0.1
198.23170	0.1
209.11810	0.4
217.00410	0.2
270.15662	0.1
291.19806	0.5
309.20837	0.4
350.96774	0.1
404.33112	0.1
463.21149	19.3
464.21457	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	463.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89259	0.2
56.82140	0.2
59.01268	0.3
61.08374	0.1
61.98726	0.3
62.96302	0.2
70.65614	0.3
71.01248	0.2
75.79145	0.2
78.95798	54.2
88.57619	0.1
91.87353	0.1
96.96868	6.1
104.71715	0.1
137.02409	0.1
150.97972	1.7
152.01096	0.2
152.99533	100.0
153.99873	1.7
171.00603	4.2
188.73378	0.2
209.11745	0.2
269.84393	0.2
285.13242	0.2
291.19772	0.2
299.76712	0.2
309.20682	0.4
376.57846	0.2
406.30981	0.2
426.38867	0.2
463.21130	20.0
464.21512	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	463.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02822	0.2
68.93408	0.2
70.41286	0.5
71.60089	0.2
78.95795	56.8
96.96865	7.4
125.75182	0.2
148.01073	0.2
150.97951	2.0
152.99533	100.0
153.99850	1.7
170.45193	0.2
171.00607	4.0
191.75714	0.2
291.19998	0.3
309.20886	0.4
342.03088	0.2
463.21130	17.8
464.21597	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	463.2118
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
50.94753	0.2
51.40431	0.1
57.37704	0.2
58.28281	0.2
59.01269	0.7
61.98732	0.2
62.96299	0.4
70.76372	0.5
73.55177	0.2
78.95798	50.2
87.18333	0.1
89.52290	0.2
96.79128	0.2
96.95917	0.3
96.96867	5.9
101.04852	0.2
102.01511	0.2
130.70049	0.2
150.97963	1.6
152.99535	100.0
153.99883	1.7
171.00603	5.0
209.11929	0.4
217.00366	0.6
273.51065	0.2
291.19714	0.2
433.23245	0.2
463.21158	15.8
464.21442	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	463.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21534	0.3
57.03384	0.4
57.27999	0.4
59.01331	7.8
62.00758	0.4
69.03414	1.1
71.01346	3.6
71.36263	0.6
73.02898	0.7
75.00844	1.0
80.02612	0.7
81.03439	1.0
83.01364	1.1
83.05000	3.5
84.02139	0.5
85.02937	1.4
87.00834	0.7
88.00378	0.5
89.02356	5.1
90.96487	0.3
93.03397	0.4
95.01366	0.8
95.05013	0.5
97.02936	1.1
97.06544	0.4
99.00853	0.5
101.02348	4.2
107.01401	1.0
113.02377	1.7
119.03536	1.0
123.00806	2.8
124.01585	10.5
125.02377	21.3
126.02798	0.9
132.02168	1.1
133.02895	1.9
133.85982	0.3
134.03763	1.5
135.04535	1.1
135.08119	0.4
137.02452	1.1
143.05026	0.3
149.02498	0.5
151.00331	3.7
151.04050	0.5
159.02950	0.3
159.04547	0.4
160.01607	5.4
161.02393	9.6
161.04579	1.3
162.02838	0.6
163.00270	1.6
163.11264	2.8
164.00841	0.4
165.12794	1.9
167.03477	0.4
171.04488	0.8
175.03967	6.6
178.99825	2.3
179.03458	1.6
179.05685	0.9
181.12306	0.5
187.04050	1.2
191.10809	1.0
192.69171	0.3
193.05067	1.5
199.04128	1.1
199.13379	1.9
201.01944	0.6
203.03500	3.7
209.11829	100.0
210.12166	5.2
213.01884	0.4
214.02669	0.4
215.03506	3.1
217.01349	0.7
227.03569	0.4
227.12895	20.5
228.13275	1.2
231.03049	3.1
235.08151	0.4
241.01447	0.6
242.02394	0.5
243.02991	5.0
244.03606	0.7
253.09346	13.3
254.09729	0.8
258.01746	0.6
259.02518	11.0
260.02933	1.2
269.00815	1.0
270.01709	1.2
271.02536	11.6
272.02878	1.0
281.06714	0.5
284.03378	0.5
285.04050	1.0
286.01334	1.8
287.02045	19.3
288.02402	1.7
295.08221	0.7
300.02786	0.6
301.03558	3.6
302.04135	1.0
315.01544	47.3
316.02051	8.8
317.02618	0.8
323.07755	1.4
329.02988	0.6
330.03885	74.4
331.04520	20.6
331.17661	0.4
332.04916	1.1
337.09378	2.4
356.51077	0.4
373.05530	0.3
419.13531	0.7
448.06070	0.4
463.08389	58.4
463.21533	1.9
464.08563	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	463.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.7
62.96298	1.5
69.80401	2.4
78.95798	6.9
91.36341	0.4
94.93538	0.5
96.95912	1.1
109.20800	0.4
135.45949	0.4
143.58908	0.4
149.00044	31.7
150.00385	1.2
152.99576	0.6
194.98854	100.0
195.99141	3.0
209.11816	0.8
217.00328	1.6
223.33559	0.4
265.21756	0.6
266.22223	0.5
271.34305	0.4
299.16522	0.5
463.11295	61.4
464.11514	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	463.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57108	1.1
57.03340	5.4
59.01264	10.5
61.98705	2.5
67.24173	0.9
69.03336	1.3
71.01277	9.5
71.62208	1.1
72.99177	1.2
73.02834	3.7
75.00761	8.7
81.03339	1.4
83.01273	4.1
85.02853	3.8
87.54372	0.9
89.02357	4.3
95.04991	0.9
97.02854	2.0
101.02338	5.5
101.58804	1.0
107.01301	1.2
107.37244	1.0
108.02055	1.3
109.02906	1.9
113.02348	3.5
117.03381	1.4
121.02895	2.2
123.00810	5.5
124.01586	18.8
125.02372	49.9
125.05954	1.3
127.93925	0.9
129.18425	0.9
131.03537	0.9
131.32019	0.9
132.02107	2.6
133.02879	34.5
134.03700	2.0
135.04463	13.1
137.02354	1.4
137.29074	0.8
139.03944	8.0
139.07547	1.9
139.73830	1.0
141.08984	0.9
142.01050	0.9
149.02426	2.3
151.00296	5.8
151.07570	3.8
152.01038	1.2
152.08359	2.1
153.09158	1.4
160.01602	6.9
161.02391	100.0
161.04562	3.6
161.09756	1.1
162.02733	5.2
163.00304	2.9
167.03363	1.1
169.01236	1.0
171.04570	1.6
175.03946	9.8
177.05547	1.6
178.99789	4.5
179.03448	9.8
187.04028	1.1
191.03444	1.3
193.05057	2.8
199.03888	1.8
199.13411	2.0
201.12781	1.4
203.03476	6.2
204.11499	2.5
209.11827	23.0
210.12167	2.0
214.02762	1.2
215.03442	4.9
217.01398	1.2
219.13950	4.0
221.04529	1.7
223.79973	1.0
227.03653	1.6
227.12909	8.2
231.02960	3.4
236.99390	1.0
242.02213	2.1
243.03006	10.0
253.09305	3.4
255.03055	4.5
256.07416	1.3
257.04532	1.0
258.01764	1.3
258.21774	1.0
259.02515	14.5
260.02994	1.3
263.12915	11.6
264.13190	1.6
270.01614	2.6
271.02530	24.1
272.02927	3.3
285.04114	4.0
286.01117	2.0
286.04196	1.7
287.01990	25.8
287.04669	2.4
288.02505	3.0
295.08267	1.6
299.13956	1.6
300.02802	8.3
301.03516	10.9
302.04080	1.3
315.01529	51.7
316.02234	28.9
317.02731	4.0
323.07697	6.3
329.15128	2.9
330.03876	64.9
331.04544	23.0
337.09302	3.4
341.14905	1.7
370.08859	1.0
463.08548	46.8
463.13065	35.9
463.22305	2.3
464.08835	8.0
464.13330	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	463.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12557	0.4
57.61397	0.4
59.01268	14.8
61.98715	1.4
63.02283	1.0
65.00208	1.5
68.81921	0.4
69.60643	2.8
71.01280	2.4
83.01266	1.0
89.02363	2.8
89.42908	0.4
101.02334	0.8
107.01299	2.9
109.02850	1.7
113.02338	0.8
119.03431	0.9
123.00755	0.4
124.01575	3.3
125.02363	1.4
135.00801	0.9
136.01591	0.8
137.02399	5.5
151.00313	12.0
152.01013	1.5
163.00323	2.4
164.01091	3.0
164.44505	0.4
165.01836	0.6
166.57945	0.4
169.01402	0.8
178.99831	9.4
179.05614	1.4
193.01283	0.5
199.04012	1.4
203.03513	1.5
204.04141	1.2
213.01956	0.5
214.02727	10.0
215.03294	2.2
216.04253	0.6
217.01366	0.6
227.03513	1.5
231.02882	0.5
232.03836	0.7
242.02223	8.8
242.32628	0.5
243.02977	6.1
244.03600	1.0
255.02995	0.7
259.02554	10.0
259.05228	0.8
260.02948	1.1
261.04071	0.7
270.01767	8.8
271.02542	57.3
272.02936	4.9
287.02054	34.7
288.02478	4.5
299.02115	0.9
300.02832	1.1
301.03452	0.9
315.01627	1.2
316.02316	100.0
317.02902	25.2
318.03485	1.9
463.08936	65.9
464.09222	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	463.0896
Annotation	Patuletin 3-xyloside
Peak:m/z	Relative Intensity
50.09844	0.2
59.01269	0.5
65.00207	0.3
69.40719	1.9
71.01251	0.4
86.34242	0.2
87.00742	0.2
89.02369	0.2
101.02323	0.2
107.01276	0.5
123.00830	0.3
124.01571	0.7
135.00816	0.5
136.01585	0.3
137.02374	0.5
143.04980	0.3
147.04456	0.3
151.00296	3.0
152.01102	0.5
159.04420	0.4
161.02426	0.6
163.00352	0.7
164.01155	0.6
171.04436	0.4
175.03963	0.5
178.99821	2.1
179.03673	0.2
187.04004	0.9
189.01901	0.2
192.00513	0.3
193.01419	0.2
199.03975	1.0
201.01912	0.5
203.03476	3.7
204.03882	0.4
209.11833	0.2
214.02701	2.3
215.03470	2.9
217.01373	0.3
227.03575	0.5
227.12877	0.5
231.03020	2.9
232.03569	0.4
242.02205	2.0
243.03001	4.2
244.03548	0.5
259.02521	9.6
260.02960	0.9
270.01764	3.3
271.02539	22.2
271.72473	0.2
272.02899	2.1
275.61844	0.2
281.06754	0.3
287.02039	21.3
288.02509	2.3
300.02560	0.3
301.07309	0.4
315.01538	35.3
316.02286	76.4
317.02744	10.3
318.03439	0.3
329.03149	0.6
330.03851	5.5
331.04657	59.4
332.04993	6.4
448.06589	8.5
449.06836	1.1
463.08920	100.0
464.09210	13.5
464.15988	0.4
466.35211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	5.2
60.01607	0.6
61.01717	0.3
61.98718	100.0
71.01274	0.9
71.46054	0.4
78.95795	6.1
80.16821	0.3
85.02904	0.3
89.02339	0.3
89.27919	0.3
96.95914	0.3
96.96876	0.4
101.02345	0.5
152.99544	6.0
171.00632	0.8
199.13443	0.5
209.11865	0.6
217.00351	0.3
226.11623	0.3
227.12845	1.6
233.88857	0.3
253.09290	0.3
297.67023	0.3
401.25909	0.4
402.18951	0.3
402.25970	0.4
462.21112	1.5
462.27298	0.4
463.09171	0.3
463.21054	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	463.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.0
61.98705	0.5
63.02277	0.5
63.72260	0.5
65.00222	0.6
69.33056	2.6
69.33475	1.5
71.01271	7.6
73.02824	2.6
81.03288	0.4
83.01281	1.6
84.06949	0.5
85.02843	3.3
87.00772	0.8
89.02350	1.6
93.56170	0.4
95.01337	0.6
97.02843	0.5
98.20522	0.7
99.00785	1.3
101.02356	5.3
105.03382	0.6
107.01327	0.9
108.02108	0.9
109.02888	1.0
113.02365	3.0
117.03394	1.3
121.02863	1.3
123.00805	6.5
123.04467	0.6
124.01591	12.9
125.02421	0.6
132.02098	1.4
133.02885	29.5
134.03589	1.5
135.04454	13.8
136.04793	1.1
137.02397	1.6
138.03156	1.0
139.03937	7.8
140.04291	0.5
143.03476	0.4
151.00311	5.0
152.01079	0.5
159.03070	0.6
159.04390	0.5
161.02393	100.0
161.04558	3.4
162.02737	5.3
163.00322	1.9
164.01111	0.7
167.03470	1.1
169.01382	0.4
175.03989	0.8
177.05556	1.4
178.02727	0.9
178.99864	3.3
179.03462	10.6
180.03911	0.7
203.03532	1.3
209.11766	0.8
211.03947	0.7
221.04576	1.5
226.02841	1.0
227.03494	1.4
227.12827	0.6
243.03029	4.7
244.03436	0.6
245.04428	0.8
251.05698	0.9
254.02226	1.6
255.03012	11.8
256.03372	1.0
263.05670	0.5
271.02530	25.7
272.02942	3.4
273.03925	0.7
281.06659	0.5
283.02505	1.1
299.01993	0.7
300.02811	47.4
301.03549	28.4
302.03934	2.5
316.02396	1.5
323.07764	8.9
329.15170	1.6
331.17746	2.6
332.17764	0.5
337.09290	0.6
463.08072	15.7
463.12576	57.2
463.22134	10.8
464.08148	1.6
464.13959	9.3
464.22562	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01600	1.6
61.33705	0.7
61.98717	3.4
69.53931	2.3
69.54355	3.4
71.01281	1.9
73.02853	1.4
76.09130	0.7
78.95790	8.7
83.04983	0.8
85.02822	1.2
86.51292	0.7
89.02335	1.2
91.03892	1.8
91.33282	0.6
96.61243	0.7
96.95912	0.8
96.96862	0.9
99.08083	0.8
101.02348	0.9
106.06538	3.1
109.06524	2.6
113.02425	0.8
115.07541	0.8
124.51844	0.7
125.09678	1.2
127.07598	1.9
129.09148	9.5
136.07642	2.4
141.09151	5.6
150.05544	1.9
152.99524	13.2
153.00743	0.8
155.10751	7.8
163.11269	2.2
165.12852	1.4
167.10776	0.9
171.00603	1.6
171.10240	1.5
183.10384	0.6
185.11797	24.3
186.12170	1.7
193.15945	1.0
197.11803	16.0
198.12213	0.8
207.10237	6.7
207.62431	0.7
209.11827	3.8
225.11314	4.3
238.17686	0.6
242.57739	0.6
247.20810	1.4
253.09444	1.3
265.04626	0.6
285.04163	0.7
291.19730	16.3
292.20090	2.2
299.14041	6.0
309.20801	37.9
310.21158	3.9
327.21838	64.7
328.22159	6.6
383.24408	4.1
401.25452	1.3
461.20126	5.2
462.20981	0.9
480.84369	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84739	1.0
59.01265	23.0
61.98732	1.1
69.61529	3.1
69.61956	4.0
71.01271	12.1
72.00816	1.8
72.99203	15.0
73.02831	7.1
74.02380	1.4
75.00764	30.1
83.01292	1.2
85.02849	1.4
87.00761	3.0
88.80000	0.9
89.02336	8.2
95.01293	1.2
99.00813	2.3
101.02332	6.1
103.29804	0.8
108.02074	1.1
109.02866	12.6
111.00807	1.7
113.02366	2.7
117.05493	1.6
118.02911	5.2
119.03427	3.5
123.00795	1.5
123.04459	1.2
123.15085	1.1
130.04192	1.3
134.39787	1.3
146.02417	18.5
151.03947	1.9
152.01108	8.8
153.01895	21.6
157.06519	1.6
161.04538	2.2
162.01910	5.3
171.04503	1.8
172.04779	1.2
179.05605	2.7
183.04474	4.6
184.04909	1.3
195.02975	42.7
196.03400	1.5
198.03249	4.1
199.03958	3.2
200.04575	5.7
201.05618	2.2
209.11877	5.8
211.03896	1.7
212.96405	1.1
223.13432	1.4
226.02731	10.0
227.03474	23.9
227.12798	1.5
228.04050	37.5
229.05095	51.9
230.05611	2.5
237.01939	1.3
238.02371	3.4
238.05222	3.3
242.02191	2.0
243.02708	2.7
245.08031	1.5
251.03484	1.4
252.03058	9.1
253.01524	2.5
253.03807	2.0
253.09406	1.2
254.02142	14.9
254.04649	2.1
255.02942	16.5
255.05214	100.0
256.03433	20.6
256.05701	7.0
257.03711	1.2
265.30112	1.0
270.01837	3.9
271.02066	8.7
281.03348	8.7
282.01431	2.7
282.04221	3.2
283.02307	1.6
284.02762	1.3
286.04611	1.9
299.04465	15.7
300.02460	4.4
307.14365	1.2
313.03726	1.5
314.04025	4.0
315.07233	10.5
341.03180	2.5
342.03339	6.4
385.18686	1.6
391.10587	1.6
403.19916	3.9
417.08221	5.4
435.09402	1.4
444.09384	5.1
462.10645	98.3
463.11267	13.9
463.17847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2197
Annotation	Rouyolide D
Peak:m/z	Relative Intensity
55.01764	0.8
59.00990	0.9
59.01264	13.1
59.55341	0.6
59.61504	0.6
61.98712	2.4
67.77744	0.6
71.01270	5.9
71.53719	0.9
74.94482	0.6
78.95798	22.3
81.03345	2.4
83.01280	2.8
83.04919	1.9
84.02072	0.7
85.02856	1.4
87.00764	0.9
89.02330	4.0
91.01798	1.0
95.01295	2.6
95.04932	1.0
96.95906	0.9
96.96865	1.9
97.02865	5.2
99.00784	0.9
99.04381	0.6
101.02354	4.6
107.04987	0.7
108.02059	1.4
109.02866	36.6
109.06500	25.0
110.03124	0.8
110.06857	1.3
111.00796	7.1
113.02345	1.6
119.03436	1.7
121.06516	1.7
122.03645	0.9
123.00807	4.8
124.01593	6.4
125.09621	0.9
127.07574	1.1
135.08104	2.9
136.05202	1.2
137.02406	1.0
139.00299	2.2
142.02618	1.9
150.97958	0.9
151.00325	1.2
152.01094	8.9
152.99542	38.8
153.01881	54.1
153.09146	2.2
154.02248	2.2
161.04492	1.5
161.09627	1.7
163.11243	17.4
164.11574	1.2
171.00613	2.1
171.10223	2.0
175.04063	0.8
177.05653	0.7
181.12309	5.4
183.49802	0.6
185.11823	1.5
189.09163	2.1
197.11734	2.4
207.10258	75.2
208.10559	4.8
209.11852	5.7
225.11336	50.6
226.11589	3.8
235.08400	0.9
243.12395	1.0
245.19077	1.0
253.09306	16.1
253.11884	1.1
254.09544	0.8
289.18167	2.0
299.15140	1.1
307.19171	8.3
308.19656	0.8
325.20279	6.5
326.20810	0.7
443.20364	1.8
461.21463	100.0
462.21790	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	461.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78831	0.4
55.01777	1.4
55.90053	0.4
57.03352	0.7
57.72491	0.4
58.00481	3.9
58.84589	0.5
59.01266	81.7
60.01600	1.8
61.98716	8.6
66.44152	0.5
69.03342	5.3
69.32052	3.5
69.32468	0.6
71.01272	72.5
72.01611	0.9
72.99200	4.6
73.02836	16.3
75.00778	2.0
78.80222	0.4
78.95793	3.4
81.03333	2.1
83.01266	4.3
85.02850	10.0
87.00777	2.2
87.04433	0.7
89.02340	100.0
90.02676	1.7
91.03921	0.6
93.03395	0.6
95.01295	3.1
96.95908	0.5
97.02856	10.8
99.00781	24.9
99.04416	2.0
101.02348	37.0
102.02688	0.8
103.03916	0.5
108.02077	1.7
108.50082	0.5
109.02892	2.7
109.06470	0.7
111.00792	1.2
113.02359	8.8
115.03933	5.6
119.03445	3.4
120.05742	1.0
123.00800	0.7
125.02371	37.9
126.02687	1.8
127.03930	0.8
130.16988	0.4
131.02478	0.8
131.03436	15.9
132.03786	0.7
133.06461	0.8
143.03442	4.4
147.04405	0.5
147.11700	0.5
148.05261	3.5
149.04504	38.3
149.09604	0.9
150.04799	1.1
152.99515	4.6
153.01819	0.6
156.76933	0.5
161.04506	3.5
163.06068	1.7
163.07570	1.9
163.11232	0.7
167.10730	21.5
168.10973	1.5
171.10262	0.5
173.04384	0.9
177.12752	0.7
191.05600	13.7
191.10757	2.7
192.05946	0.5
205.07135	1.0
207.06639	8.9
207.10175	2.0
209.11829	3.6
221.06592	1.7
221.11864	3.4
223.13348	0.7
224.13731	0.9
225.11382	2.6
225.13263	0.5
233.04478	1.0
233.06699	18.8
233.11703	0.6
234.06985	1.0
239.12810	1.4
253.09320	0.8
255.02838	0.5
275.07721	1.6
283.02435	1.2
284.03214	1.2
293.08875	29.5
294.09082	2.1
299.05753	2.1
311.83420	0.6
327.21967	2.5
329.19598	2.0
351.10815	1.4
387.75290	0.5
401.21320	0.6
461.14432	1.1
461.19455	2.0
461.27548	2.0
462.20224	0.6
475.44873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.9
58.00479	2.7
59.01265	100.0
60.01600	1.4
61.98725	1.6
67.46777	0.6
69.75285	4.1
71.01273	45.8
72.99196	3.9
73.02837	5.6
75.00772	6.0
82.14693	0.6
83.01289	1.6
85.02859	6.0
87.00786	3.1
89.02341	69.5
90.02723	1.4
95.01305	2.8
96.60950	0.6
99.00855	0.8
101.02348	22.2
102.01850	0.7
103.00240	0.7
103.29607	0.7
109.02858	1.2
109.06537	0.9
111.00830	1.2
111.21497	0.7
113.02361	20.3
117.05484	6.1
117.06092	0.5
119.03425	25.5
123.00797	3.3
124.01617	4.2
125.02390	2.8
131.03444	4.8
133.04985	1.1
137.02364	0.9
137.05978	0.9
138.03206	1.9
139.03957	6.1
143.03477	7.1
143.04500	0.9
149.04550	3.2
151.00349	0.8
153.01894	1.5
155.05048	0.8
161.04521	10.2
163.07593	6.1
171.04446	3.8
179.05580	26.2
179.10678	3.8
180.05945	1.5
183.04530	2.2
195.03006	2.2
197.02597	0.9
198.03229	1.6
199.04013	4.9
199.09766	0.9
207.10330	1.2
209.02522	1.0
210.03148	1.5
215.03596	1.1
221.11830	10.2
223.04079	0.7
225.01874	0.8
225.11375	2.3
226.02757	5.4
227.03506	45.8
228.03932	3.6
237.01915	5.3
239.03568	1.8
242.02219	4.2
243.02911	1.1
251.03539	3.5
253.01466	9.3
254.01776	1.5
255.03029	40.6
256.03375	4.0
257.04501	1.0
267.03119	1.0
269.04779	0.8
270.01730	10.9
271.02133	1.5
271.04761	1.3
279.03101	0.8
281.00909	4.0
282.04401	3.2
283.02658	2.9
283.08261	3.5
285.04050	3.3
299.02014	6.2
299.09415	0.8
300.02304	1.1
313.03598	5.8
315.07422	3.8
341.03091	10.5
341.31256	0.7
342.03583	1.2
401.05603	1.1
401.18372	2.1
461.07312	12.9
461.14355	1.0
461.20746	2.4
462.08469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43455	0.6
55.01762	1.1
57.03328	1.4
58.00492	1.0
59.01267	24.1
61.98710	2.6
69.17529	3.1
69.17961	4.1
71.00896	1.0
71.01272	12.9
71.04906	0.8
71.13994	0.6
72.99197	2.2
73.02841	4.5
75.00787	1.5
80.02591	0.9
81.03345	2.5
83.01280	1.8
83.04912	2.2
84.40470	0.7
85.02843	4.0
87.00762	3.3
89.02346	9.6
93.03355	2.1
95.01289	1.6
95.04930	2.5
97.02857	8.3
97.06510	0.9
98.19762	1.3
99.00789	8.0
101.02349	10.3
107.04933	1.8
108.02084	2.2
109.02883	3.1
109.06507	24.5
110.03689	0.9
110.06850	1.5
111.04442	0.8
111.22536	0.7
113.02364	6.5
117.03381	10.5
119.01194	0.6
119.03445	3.2
119.04937	5.7
120.59791	0.6
121.02877	1.9
121.06498	2.4
123.00784	2.8
123.04449	25.3
124.01582	1.2
124.04766	1.1
125.02382	1.8
125.09636	1.8
132.02103	6.3
133.02896	3.2
133.05040	0.7
133.06523	0.7
134.03659	5.8
135.04427	2.6
135.08060	3.1
136.05240	1.3
137.02388	1.7
138.03186	2.0
142.02693	3.0
145.02899	46.8
146.03252	1.9
147.00856	1.3
148.01543	0.7
149.02408	1.5
149.04509	0.6
149.06029	2.0
151.00351	1.1
152.01062	0.8
153.00124	1.1
153.01894	3.2
153.05516	9.3
154.05965	0.6
160.01614	32.8
161.02403	5.7
161.04515	3.9
161.05992	1.8
161.09673	0.9
163.03970	4.8
163.11246	16.3
164.11632	1.3
165.01907	0.8
175.00360	1.3
175.03966	39.1
176.04326	2.4
177.01842	1.0
179.03429	1.5
179.05605	1.2
179.10852	0.6
180.76321	0.6
181.12320	10.8
187.03941	0.8
189.05603	1.8
189.09062	1.2
190.06288	1.7
191.07065	1.0
193.04990	5.0
199.13347	1.7
207.10257	100.0
208.10594	7.4
221.11868	0.7
225.11334	98.9
226.11688	7.1
235.08310	1.8
243.12411	6.3
253.09344	18.5
271.02570	0.7
271.06149	1.5
282.15115	0.9
299.15067	2.2
307.08304	11.8
308.08722	1.1
311.12933	0.9
313.10934	1.9
317.08643	1.1
323.07803	1.0
327.12643	1.1
337.09393	19.4
338.09674	1.6
345.08096	1.4
357.02560	1.0
360.10550	1.5
375.12848	14.3
389.21964	0.8
443.18997	0.9
461.14532	25.2
461.20477	58.9
462.14810	4.4
462.20895	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	461.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.2
59.01265	2.1
61.98720	0.5
62.29639	0.2
62.96294	0.2
69.22059	1.2
69.22478	0.7
71.01275	0.5
78.16022	0.2
78.95798	54.7
80.96423	0.4
81.03353	0.2
83.04907	0.2
85.02854	0.2
87.00778	0.3
89.02357	0.3
90.52815	0.2
96.95959	1.2
96.96869	6.4
97.02863	0.3
98.19753	0.3
101.02348	0.5
109.02867	0.6
109.06504	1.4
113.02384	0.2
119.03446	0.2
123.04459	0.2
141.41335	0.2
150.97971	1.6
152.99532	100.0
153.99873	1.5
163.11220	0.9
170.99219	0.3
171.00607	5.1
179.05527	0.2
181.12331	0.2
202.00392	0.2
204.39989	0.2
207.10260	4.3
208.10721	0.3
209.11879	0.2
225.11324	3.0
253.09360	0.9
461.19635	15.6
462.20050	2.2
467.35373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70902	0.9
57.03316	1.6
58.00478	3.0
59.01267	100.0
60.01556	1.2
60.23034	1.1
61.98699	3.0
70.65802	3.0
71.01272	44.0
71.04919	2.4
72.99208	6.0
73.02837	9.4
75.00771	9.0
83.01292	2.8
85.02843	6.5
87.00797	5.0
89.02341	57.6
90.02647	1.5
95.01300	2.4
96.95921	2.1
99.00774	1.2
101.02353	22.3
111.00744	1.4
113.02370	18.8
117.05496	18.9
119.03418	19.7
123.00780	8.6
123.04465	1.0
124.01596	10.1
125.02384	1.7
131.03371	3.0
135.04436	1.0
137.02371	3.0
138.03139	4.0
139.00276	1.0
139.03954	9.1
139.68048	0.9
143.03452	6.4
143.04402	0.8
143.04980	1.2
146.02371	1.3
149.04530	2.3
153.01814	1.4
161.04480	9.2
163.07579	4.7
165.05612	1.2
171.04448	6.6
179.05582	19.9
179.10716	4.2
183.04506	3.0
192.61362	1.1
198.03220	4.0
199.03983	7.7
207.10269	2.2
209.02480	2.3
210.03204	2.5
211.02370	2.0
211.04117	1.3
215.03482	1.2
221.11839	7.2
225.01855	1.1
225.11284	3.1
226.02702	9.0
227.03519	77.1
228.03934	7.7
237.01950	9.6
239.03468	3.7
242.02260	10.1
243.02783	1.8
251.03459	5.2
253.01454	17.4
254.01952	1.3
255.03056	58.7
256.03433	6.3
257.04541	1.3
269.01096	2.3
269.04218	1.2
270.01743	14.1
270.04492	0.9
271.02115	1.9
271.04675	2.5
279.03030	2.0
281.00974	5.6
282.04178	4.3
283.02496	3.9
283.08246	2.9
285.04156	4.1
293.55975	1.2
299.02014	6.9
313.03607	6.4
315.07159	1.8
341.03125	15.8
342.03299	1.7
401.05060	1.4
401.18628	2.1
461.07327	16.5
461.20404	2.8
462.07526	2.3
462.20477	1.1
477.42123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.3
59.01266	73.6
61.98710	1.1
63.48389	1.0
64.80796	0.9
66.84663	0.9
69.07728	1.0
70.87733	2.5
70.88071	1.0
71.01270	13.6
72.99190	3.7
73.02837	3.9
75.00763	28.2
78.46603	1.0
83.01273	2.1
85.02839	6.6
87.00739	1.2
89.02340	3.5
95.01302	4.3
97.02895	1.2
99.00799	1.8
101.02342	6.2
101.41966	1.0
103.81674	1.0
109.02890	1.6
111.00769	2.3
113.02359	4.1
117.05484	3.4
119.03430	1.4
121.02866	2.7
123.00803	57.9
124.01595	95.7
125.01899	1.6
128.84082	1.1
137.02371	1.5
137.05907	1.1
138.03152	33.8
139.00288	2.1
139.03949	100.0
140.04269	4.1
145.05035	1.4
149.02379	1.4
150.03181	2.8
151.00345	7.7
153.01843	3.2
161.04526	5.3
165.05550	7.9
169.01347	1.4
171.04442	3.0
172.77298	1.1
183.04599	1.3
198.03203	1.4
199.03984	3.8
199.09726	3.9
203.05579	7.3
221.11797	2.4
223.06149	1.2
225.10982	1.1
226.02658	3.5
227.03508	40.0
228.03868	2.8
229.05089	3.4
237.01965	4.8
239.03511	1.8
242.02246	3.3
251.03551	3.9
253.01459	8.6
255.03043	31.3
256.03458	4.1
258.01685	1.2
267.11304	1.5
269.01126	1.3
270.01779	9.1
271.02136	1.5
281.00974	2.8
283.08298	63.7
284.08640	5.2
285.04153	2.3
299.02017	4.3
313.03668	3.9
339.13571	2.4
341.03104	6.2
343.10318	7.8
357.14810	1.8
461.07263	9.4
461.16473	2.0
462.10739	9.5
472.02850	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.0
59.00992	0.9
59.01268	12.5
60.64950	0.5
61.98704	1.4
63.02298	0.6
63.21991	0.5
64.54485	0.5
65.00192	0.5
68.99723	0.7
69.37395	1.1
69.37795	4.2
71.01273	11.6
71.96528	0.6
72.99193	2.1
73.02817	1.1
75.00769	4.3
79.95627	0.9
83.01311	0.9
83.51361	0.4
85.02848	9.4
87.00774	2.2
89.02308	1.5
90.32408	0.5
93.03366	2.4
95.01286	3.9
95.79085	0.5
95.95131	1.1
96.95911	2.7
97.02867	1.4
99.00787	3.4
101.02361	2.0
103.00269	1.7
107.01289	2.0
107.04900	0.5
108.02110	0.7
108.05734	1.2
109.02862	2.0
109.06586	0.6
111.04411	1.9
111.08107	0.7
113.02365	15.0
113.05970	1.9
113.14337	0.5
115.00311	1.1
117.01846	1.5
117.03344	0.8
119.04880	0.6
121.00639	0.5
121.06548	0.7
122.03621	0.6
123.00834	2.7
123.08059	1.6
124.01585	1.1
125.02313	0.7
125.06027	1.9
129.01848	1.0
133.02878	1.2
135.00789	1.0
135.04442	2.2
136.05237	1.0
137.02388	1.0
137.06041	0.9
138.06784	1.7
139.07602	5.6
143.04947	1.4
145.02896	1.7
150.97044	0.6
151.00325	1.6
151.03876	0.7
151.07599	11.6
152.04729	1.4
152.08380	4.3
153.01874	1.3
153.09195	2.4
157.06512	1.3
159.04431	1.5
161.02386	1.9
161.04437	1.1
161.09721	0.8
163.00333	2.0
163.07524	0.9
165.01869	1.2
167.05017	0.8
167.07082	0.6
169.06508	0.8
171.04486	1.1
175.02463	5.1
179.03444	1.1
183.04485	0.6
185.06078	3.3
187.03996	3.1
189.05499	1.9
197.02269	1.1
197.06075	0.9
198.13791	0.6
199.03987	1.1
201.05534	0.8
201.12794	3.0
203.10738	1.4
204.11545	5.0
207.10352	1.1
211.03996	2.4
212.04834	0.7
213.05571	2.1
215.03496	0.8
219.13902	10.7
225.11345	2.3
227.03516	8.8
228.03819	0.8
229.05075	11.7
239.03459	1.2
241.05151	1.7
243.02934	0.6
245.11877	0.6
255.02975	6.9
256.03787	9.9
257.04568	7.2
258.04968	0.9
263.12949	37.0
264.13242	3.0
267.03146	1.2
271.02475	1.1
281.06726	0.7
284.03430	3.9
285.04126	100.0
286.04456	9.0
299.02237	1.3
299.05630	12.9
300.05893	1.0
301.03571	0.6
305.13971	1.0
315.01605	1.0
323.07962	0.6
329.02890	0.8
410.65479	0.6
413.11203	0.9
425.18469	0.7
446.09106	0.5
461.06570	2.6
461.11731	9.2
461.20761	1.6
462.11917	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1467
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
59.01264	16.3
61.98711	0.8
65.32648	0.6
69.45030	5.5
71.01269	10.9
72.76245	0.6
72.99214	2.1
73.02847	2.7
75.00777	1.5
76.19022	0.6
80.02563	0.6
81.03360	2.3
83.01274	1.4
83.04915	1.6
85.02849	3.4
87.00777	1.3
89.02341	6.1
91.00268	0.9
93.03357	7.7
94.69057	0.7
95.01237	1.5
95.04939	1.2
97.02845	5.8
99.00795	1.6
101.01765	1.0
101.02359	8.1
102.44776	0.7
107.04945	0.8
107.24760	0.7
108.02109	1.7
109.02880	1.3
109.06509	25.0
110.03670	0.9
110.93398	0.7
113.02347	4.1
117.03378	19.8
118.03656	0.8
119.03442	1.7
119.04941	13.9
121.02885	1.9
121.06509	1.1
123.00830	2.2
123.04441	83.7
124.01550	1.5
124.04761	2.7
125.02432	0.7
125.09682	1.1
132.02109	1.7
133.02910	1.9
134.03648	1.8
135.04453	2.3
135.08058	2.8
137.02382	11.9
142.02655	1.7
143.03464	0.7
145.02890	100.0
146.03619	6.4
149.02325	0.7
151.00317	0.9
153.01855	2.5
153.05515	77.8
154.05872	4.6
160.01605	10.0
161.02397	2.9
161.04518	2.8
161.06030	2.8
161.09642	1.0
163.03966	12.8
163.11240	14.3
164.04742	4.9
164.11633	0.7
175.03995	12.7
179.03412	1.4
179.05658	1.0
179.07080	6.4
180.07497	0.9
181.12294	4.6
187.03984	1.7
189.09221	1.6
193.04999	1.9
205.04971	0.7
207.10255	78.2
208.10562	5.5
209.11827	0.7
225.11328	48.8
226.11699	3.5
227.03505	0.9
235.08270	1.0
243.03044	0.7
243.81503	0.7
247.06152	0.7
253.09317	18.1
255.03027	32.4
256.03397	3.9
257.01611	1.2
269.04596	2.1
271.02621	1.0
281.03754	0.8
281.06732	11.6
283.02527	25.6
284.03177	6.2
285.04163	1.8
297.04132	5.1
298.04849	6.4
299.05505	4.5
299.15204	0.7
307.08307	78.2
308.08585	7.9
313.03650	2.4
329.03079	0.9
337.09338	4.9
372.50711	0.7
375.12497	1.3
446.08572	9.5
447.08859	1.5
461.10934	37.0
461.20480	32.6
462.10046	4.1
462.15292	2.1
462.20227	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61345	0.5
57.03355	0.6
59.01265	15.4
61.98740	1.0
69.03393	0.7
69.40536	6.2
70.09673	0.5
71.01267	9.5
72.99240	1.8
73.02860	1.9
75.00789	1.5
75.58585	0.5
75.86156	0.5
80.02605	0.6
81.03388	1.7
81.95103	0.6
83.01308	1.6
83.04948	2.2
84.02061	0.8
85.02843	3.6
87.00799	1.9
89.02328	6.0
91.00298	1.2
92.80489	0.6
93.03357	9.6
93.03917	0.9
94.05502	0.6
95.01327	1.6
95.04944	2.1
97.02848	4.0
98.19700	1.0
99.00785	1.6
101.02356	8.5
107.04931	0.6
108.02105	2.3
109.02879	2.2
109.06503	21.1
110.03716	0.8
110.06834	0.8
113.02381	4.4
117.03377	21.5
117.04193	1.3
118.03694	0.8
119.03489	1.1
119.04948	14.6
120.05228	0.7
121.02895	2.0
121.06533	1.5
123.00838	2.9
123.04443	86.6
124.01569	1.2
124.04774	4.3
125.02357	0.9
129.73248	0.5
132.02107	1.8
133.02878	1.8
134.03687	2.5
135.04480	1.5
135.08081	2.3
136.01624	1.3
137.02376	16.1
142.02670	1.3
142.89037	0.6
145.02888	100.0
146.03665	9.1
147.04424	1.5
149.06023	0.9
151.00380	0.7
151.03979	0.8
153.01941	4.1
153.05519	75.9
154.05890	3.1
160.01608	10.5
161.02422	5.0
161.04456	1.9
161.05995	3.2
161.09750	0.8
163.03955	15.1
163.11243	12.3
164.04784	5.7
164.11560	0.9
167.03345	0.8
169.09666	0.6
175.03969	13.0
176.04480	0.8
179.03429	1.3
179.05635	1.2
179.07053	6.6
181.12355	4.4
183.04315	0.6
187.03937	1.0
189.09145	1.6
193.04993	1.7
205.05042	0.7
207.10254	60.0
208.10570	3.7
225.11330	37.3
226.11520	2.4
227.03453	1.5
235.07988	0.6
253.09305	13.9
254.09532	0.6
255.03030	27.7
256.03564	2.8
257.01428	1.2
269.04456	1.8
271.02451	1.0
274.30450	0.6
281.06720	14.5
283.02557	18.4
283.43750	0.6
284.03189	4.8
285.03851	1.2
297.04114	4.9
298.04828	6.2
299.05643	3.6
307.08301	70.5
308.08643	6.5
311.12796	0.8
313.03448	1.4
315.10754	0.8
323.07507	1.0
337.09372	6.5
350.49060	0.7
431.11960	0.6
438.54294	0.6
446.08609	7.1
461.09555	26.0
461.14471	10.5
461.19888	26.2
462.09628	3.3
462.14801	2.5
462.20319	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	461.11
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
59.01264	1.0
61.98714	0.2
63.02030	0.1
63.02320	0.3
64.99885	0.2
65.00241	0.4
68.46038	0.1
71.62535	0.2
75.09287	0.1
78.14930	0.1
83.01297	0.2
85.02847	0.2
88.98696	0.1
89.02322	0.3
93.03379	0.2
96.95915	0.1
100.89419	0.1
101.02357	0.1
101.62402	0.1
107.01287	0.7
109.02850	0.1
109.06487	0.1
113.02345	0.1
117.03372	0.8
123.04497	0.1
125.02327	0.1
135.00833	0.2
141.03397	0.3
143.04953	0.1
145.02971	0.1
145.98318	0.1
149.99533	0.1
151.00328	1.4
153.01860	0.2
155.04962	0.5
159.04462	0.8
167.05009	0.2
169.01396	0.2
169.02773	0.2
171.04439	0.5
173.02396	0.2
173.06102	0.2
178.99994	0.1
182.03731	0.3
183.04485	3.7
184.04770	0.3
185.00903	0.1
185.02354	0.6
187.04005	0.3
197.02353	0.1
199.03954	0.7
201.01958	0.2
203.03537	0.2
207.10281	0.6
210.03108	0.1
211.04002	2.8
212.04459	0.2
213.01846	0.1
215.03523	0.6
216.04172	0.1
225.11366	0.3
226.02625	0.2
227.03503	3.6
228.03865	0.3
229.01346	0.1
239.03529	0.2
241.04938	0.1
242.02223	0.9
243.03017	3.8
244.03354	0.3
255.03029	45.6
256.03381	4.1
257.04541	1.2
270.01715	1.0
271.02533	5.0
272.02994	0.5
282.01776	0.2
283.02542	100.0
284.02948	11.2
285.04050	2.4
286.04764	0.7
298.04758	0.7
299.02087	2.4
299.05649	10.8
300.02728	1.3
300.06039	1.1
314.04388	4.9
315.05121	3.6
316.05594	0.2
341.06732	0.4
446.08646	17.0
447.08963	2.4
461.10999	59.1
462.11380	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	461.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	0.9
59.01267	23.1
60.01615	0.5
61.98750	1.1
69.03372	0.8
69.64777	1.5
69.65211	2.1
71.01267	6.4
72.99219	0.8
73.02869	2.0
73.18142	0.4
73.48828	0.5
75.00790	1.0
81.03384	1.3
83.01317	0.6
85.02850	3.9
87.00785	0.9
89.02348	3.1
90.98529	1.1
93.03355	2.7
95.01324	1.8
96.95928	0.6
97.02851	0.5
99.00796	0.6
101.02344	4.4
107.04991	0.9
108.02083	38.7
109.02883	17.0
109.06527	2.5
110.03222	0.5
111.00871	0.5
113.02351	3.5
117.03378	24.9
118.03687	1.1
119.03450	1.7
119.04941	10.9
120.02109	1.2
121.02906	0.8
123.00779	2.7
123.04494	1.0
125.02377	0.9
131.76294	0.6
132.02094	0.5
133.02896	4.3
134.03656	0.5
135.04459	1.6
135.76091	0.5
137.02354	1.4
137.09676	0.7
138.03181	2.7
143.03439	0.8
145.02893	100.0
146.03264	4.8
148.64490	0.5
149.05983	0.6
149.58627	0.5
151.00262	0.6
151.03963	0.5
152.01096	58.5
153.01895	19.4
153.05522	12.1
153.06758	0.3
154.02225	1.0
154.05742	0.7
161.02393	11.2
161.04514	2.0
161.05975	0.7
163.03964	9.1
163.11221	1.7
165.01878	1.2
165.75298	0.5
169.01375	1.1
179.03436	0.8
179.05618	0.8
179.63203	0.6
181.12291	0.8
187.03857	0.6
193.04852	0.5
193.71590	0.4
195.02814	0.6
199.06050	0.6
200.94659	0.5
207.10278	7.9
208.10596	0.6
213.05513	1.1
225.11360	6.9
227.07162	0.5
239.12767	1.5
247.05946	0.5
253.09219	2.1
255.02873	0.6
269.11789	0.6
271.02335	0.8
281.06790	0.9
285.03946	0.5
287.01813	0.6
298.09457	1.0
299.10281	1.8
307.08322	18.1
308.08441	1.9
315.07294	24.0
316.07410	1.3
323.07184	0.6
401.21521	1.9
417.11838	1.0
431.16583	1.8
443.16891	1.0
461.10464	67.3
461.20740	2.4
462.10724	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	461.0739
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
59.01264	11.9
60.35371	0.5
69.03363	0.5
69.54873	3.0
69.55280	0.9
71.01272	6.2
72.99205	0.8
73.02827	1.2
83.01302	0.9
85.02837	1.8
87.00757	0.7
87.50600	0.5
89.02353	2.9
93.03349	0.6
97.23031	0.5
99.00795	0.7
101.02338	3.5
113.02381	2.4
119.03484	0.7
125.02404	1.8
125.03778	0.5
128.03444	0.6
131.03413	1.2
137.02380	0.7
143.03455	0.6
143.04965	1.6
146.02347	0.6
153.01932	0.7
155.04907	1.5
161.04489	2.0
171.04489	8.3
172.04869	1.0
181.02899	1.0
182.03690	1.0
183.04517	5.1
195.04523	0.7
197.02423	2.0
198.03215	4.0
199.03999	11.7
199.09605	0.6
201.01813	0.6
209.02539	3.3
210.03174	3.6
211.03961	1.4
213.02010	1.3
214.02675	1.1
215.03484	1.4
217.57974	0.5
221.11815	0.7
223.03908	0.8
225.01921	0.8
226.02731	10.9
227.03511	100.0
228.03886	6.7
237.01985	12.4
238.02510	1.6
239.03488	3.9
241.01471	1.2
241.89769	0.5
242.02229	13.6
243.02829	2.0
250.02832	0.6
251.03535	7.2
252.04012	0.9
253.01472	21.6
254.01971	1.8
255.03038	77.7
256.03442	8.2
259.02588	0.6
267.03079	2.1
269.01010	2.5
269.04474	1.2
269.10400	5.9
270.01743	17.0
271.02142	2.0
279.03082	2.8
281.01035	7.6
282.01596	2.2
282.04282	0.9
283.02548	5.5
285.04056	5.2
295.02469	1.3
297.04071	0.6
299.01984	10.5
300.02396	1.2
313.03604	8.0
314.04004	1.0
341.03113	17.4
342.03403	1.7
371.04245	1.0
401.05206	1.1
401.14651	1.6
461.07388	16.9
461.13861	0.9
462.07730	2.4
464.26569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.5
60.30131	0.4
61.98710	1.1
67.01747	0.4
69.59628	1.8
69.60052	1.9
71.01268	1.9
71.04914	0.5
72.99175	0.7
74.67123	0.4
75.00762	3.0
85.02811	0.6
89.02341	1.1
93.03340	1.0
99.00830	0.5
101.02338	0.6
108.02103	0.8
109.02864	5.2
111.00784	0.5
113.02359	0.8
117.05492	4.9
118.02898	1.8
123.00826	0.7
124.01633	0.6
137.02350	1.8
143.04945	2.0
146.02412	3.2
151.03990	0.5
152.01070	4.3
153.01875	7.1
155.04936	2.2
159.04489	0.5
162.01909	2.9
170.03658	0.8
171.04483	11.1
172.04858	0.9
181.02899	1.3
182.03661	1.5
183.04514	6.3
185.02441	0.7
186.02962	0.9
187.03893	0.9
189.05524	0.9
195.02969	13.0
195.04680	1.1
197.02463	2.0
198.03189	5.6
199.03990	13.6
200.04729	2.5
201.05569	1.4
202.15364	0.5
209.02406	4.1
209.04173	0.8
210.03188	4.2
211.03909	1.8
213.01927	1.0
214.02733	1.3
215.03444	1.6
216.03856	1.0
223.04042	1.0
224.03352	0.6
225.01932	1.7
225.03905	0.8
225.11363	0.5
226.02745	15.2
226.04671	0.6
227.03503	100.0
228.04131	17.0
229.05074	21.9
237.01950	10.5
237.03667	0.5
238.02715	1.2
238.05153	0.8
239.03506	4.3
240.03908	0.5
241.01492	1.0
241.05118	0.5
242.02220	12.9
243.02789	3.8
244.03458	1.7
245.01022	0.5
251.03575	7.4
252.03070	6.0
253.01404	20.9
253.03610	3.1
254.02133	6.6
254.04643	1.1
255.03026	71.0
255.05261	25.7
256.03384	8.0
257.04370	0.7
263.14642	0.5
266.02158	0.6
267.03024	2.0
269.01004	2.4
269.04550	0.8
270.01740	22.9
271.02429	6.7
272.02869	10.4
273.03348	0.9
279.03082	1.8
281.00946	6.9
281.03415	4.5
282.01563	1.5
282.04260	3.7
283.02057	4.1
285.04123	4.5
295.02560	1.2
299.01782	12.6
299.04578	2.9
300.02396	1.6
313.03632	9.3
314.03879	0.9
315.07278	1.5
341.03101	23.5
342.03577	2.0
346.78864	0.5
371.04346	1.0
401.05231	2.1
417.08322	2.0
444.09512	1.4
461.08447	34.9
462.10583	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	461.074
Annotation	SCHEMBL1536036
Peak:m/z	Relative Intensity
52.57850	0.2
54.70304	0.3
55.01768	0.4
57.03331	1.2
57.19936	0.3
59.01265	10.9
60.77303	0.2
61.98715	0.8
63.02289	0.5
63.34892	0.3
63.54765	0.2
65.94728	0.3
67.77765	0.3
69.38986	0.5
69.39389	2.0
71.01274	8.4
72.00620	0.3
72.99201	1.9
73.02826	1.7
75.00758	3.7
79.95647	0.5
83.01285	1.1
83.04932	0.4
84.02070	0.3
85.02850	10.0
85.89239	0.2
87.00779	2.5
89.02353	1.8
93.03362	2.5
95.01290	3.5
95.04960	0.4
96.95914	0.9
97.02863	1.4
99.00791	3.1
101.02355	1.3
103.00284	1.2
107.01304	2.4
107.04900	0.3
108.05738	0.7
109.02882	1.8
111.00753	0.5
111.04441	1.0
113.02362	16.3
113.05991	0.7
114.02677	0.6
115.00294	1.1
117.01882	1.0
117.03352	0.6
119.04895	0.3
121.02843	0.5
122.03677	0.4
123.00845	1.4
123.08038	0.5
125.02365	0.5
125.06018	1.2
129.01866	1.2
131.05000	0.3
133.02896	0.8
134.03612	0.3
135.00810	0.8
135.04456	1.8
137.02338	1.5
137.05974	0.7
138.03218	0.3
138.06779	0.9
139.07596	2.7
143.04967	1.3
145.02930	0.7
145.06454	0.4
149.06058	0.4
151.00352	1.4
151.07607	5.6
152.04747	1.1
152.08380	2.6
153.01852	0.8
153.09161	1.0
154.04144	0.7
155.04854	0.4
157.01382	0.3
157.06555	1.2
159.04507	2.0
161.02400	1.1
161.04581	0.8
161.05962	0.4
161.09732	0.4
163.00357	2.4
163.07611	0.7
163.11220	0.3
163.20045	0.3
165.01999	0.5
165.05508	0.4
167.04965	0.7
169.01413	0.4
169.06535	1.1
171.04483	1.4
173.02434	0.3
175.02463	3.8
175.03957	0.5
175.93230	0.3
179.03499	0.4
183.04480	0.4
185.06059	3.6
186.06395	0.5
187.03986	4.2
189.05527	1.3
189.09123	0.3
195.04520	0.8
196.05305	0.5
197.02310	0.4
197.06111	0.7
199.04039	1.4
201.05574	0.8
201.12843	1.3
203.10741	0.6
204.11563	2.4
207.10263	0.6
211.03996	2.4
212.04738	0.5
213.05597	2.4
214.02719	0.7
215.03508	0.4
219.13939	5.0
225.11360	1.6
227.03534	5.6
228.03822	0.5
229.05078	11.8
230.05432	1.1
239.03566	1.6
240.04271	0.7
241.01648	0.3
241.05038	1.6
242.02339	0.4
243.03029	0.6
255.03024	3.5
256.03809	3.6
257.04608	7.4
258.05014	0.4
263.12952	16.2
264.13254	1.2
267.03067	1.2
271.02399	0.5
281.06744	0.7
283.02673	0.4
284.03455	1.9
285.04123	100.0
286.01239	0.4
286.04474	8.4
287.13150	0.4
299.02319	0.4
299.05655	4.3
305.13928	0.4
323.07724	0.6
401.22070	0.7
425.18094	0.4
461.07150	3.3
461.12332	2.6
461.15891	0.3
462.11801	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01266	2.2
59.70196	0.3
59.87061	0.3
61.98711	1.2
65.03850	0.7
67.01767	1.0
69.03345	5.8
69.10245	0.3
69.50745	2.7
71.01269	0.9
73.84312	0.3
77.79166	0.3
78.95800	1.5
80.02539	0.4
81.03363	1.1
83.01287	0.9
83.04907	0.9
85.02860	0.5
93.03362	3.6
95.01302	1.5
95.04927	15.2
96.95926	1.8
97.02858	36.1
98.03211	1.0
98.19846	0.4
107.01310	0.5
109.02853	2.2
111.00803	1.6
111.04443	3.3
113.05999	0.6
121.02879	4.6
123.00747	0.4
124.01608	0.6
125.02390	2.1
137.02380	14.2
139.03949	100.0
140.04283	3.8
152.99556	1.3
164.12338	0.4
177.75780	0.4
186.56505	0.4
271.02826	0.4
286.29037	0.3
319.22861	6.5
320.23227	0.8
397.27423	0.6
425.40588	0.3
459.21777	0.5
459.27814	9.7
460.28055	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56395	0.4
59.01258	1.2
69.33940	4.6
71.01261	0.6
76.04779	0.4
98.19755	0.8
107.77331	0.4
117.65434	0.4
126.40920	0.4
168.04472	0.7
177.38902	0.5
180.04504	0.7
185.02411	2.5
187.03963	1.0
196.03966	1.7
197.02423	0.5
198.03200	0.8
198.05640	0.5
199.03983	1.8
208.04001	1.6
213.01915	0.7
213.68889	0.4
214.02663	1.4
215.03439	2.4
215.29982	0.4
218.02104	1.0
224.03545	2.8
225.02078	0.6
225.04230	1.4
226.02708	2.2
226.04910	0.9
227.03473	4.2
236.03513	2.8
242.02242	7.6
243.03001	9.1
244.03304	0.7
252.03076	19.0
253.03749	3.5
254.04588	1.3
255.03023	3.2
256.03467	0.5
264.03052	1.4
265.03525	0.5
270.01703	1.0
271.02548	65.2
272.00226	0.7
272.02902	5.5
280.02618	7.5
281.03360	19.8
282.04126	24.2
283.04459	1.9
285.04190	0.8
297.02850	0.5
298.03647	1.5
327.14853	0.5
433.07462	0.7
460.08975	100.0
461.09378	15.6
461.15765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	0.8
70.37085	0.4
70.64291	0.8
70.64662	1.4
71.01271	14.3
72.99204	3.0
87.00747	0.9
89.02345	2.0
115.00291	39.8
116.00648	0.9
117.01863	1.8
118.02894	1.2
133.01360	100.0
133.05000	1.9
134.01683	2.1
146.02434	4.5
147.02686	0.6
227.03673	0.8
336.47382	0.5
416.54309	0.5
461.13217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71463	0.3
57.03345	0.4
57.15390	0.3
59.01267	100.0
60.01591	1.4
61.98725	2.0
69.82047	0.3
70.09855	0.6
70.10262	0.9
71.01272	9.1
72.99191	0.4
73.02844	2.5
78.08996	0.2
78.95822	1.1
83.01295	1.1
85.02847	3.1
87.00797	0.5
89.02349	3.2
93.61596	0.3
95.01295	0.7
96.95930	0.5
99.00800	1.0
101.02353	7.3
113.02348	3.6
119.03412	2.0
121.02888	1.1
133.84561	0.3
143.03461	0.6
152.99529	0.6
159.02916	0.7
161.04509	7.3
162.04895	0.6
179.05598	0.7
205.03595	0.6
225.68294	0.3
397.29535	0.3
399.23965	22.8
400.24347	3.6
406.94373	0.3
443.22995	4.0
444.23404	0.6
459.25757	0.6
460.09158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01268	100.0
60.01599	1.6
61.98728	1.5
62.83120	0.3
62.87996	0.2
63.55920	0.2
71.01270	4.8
71.54141	0.4
73.02840	1.1
75.00765	0.3
78.95811	0.3
83.01304	0.6
85.02839	1.7
87.00784	0.5
89.02342	3.1
96.95929	0.5
97.02855	0.4
99.00779	0.6
100.88628	0.3
101.02343	3.9
109.02852	0.3
113.02366	2.3
116.92799	0.4
118.02947	0.3
119.03408	1.7
121.02885	0.3
123.00798	0.4
123.04440	0.3
125.02384	0.5
129.01671	0.3
135.00829	0.5
143.03467	0.7
147.03206	3.9
148.03561	0.8
159.02997	0.7
161.04521	3.0
162.01930	6.4
163.02316	1.9
179.05617	1.0
216.07733	0.3
242.08409	0.3
271.02618	0.4
282.14758	1.4
297.17093	0.7
324.07538	0.5
325.08066	0.7
326.08322	0.3
356.53714	0.3
399.19193	0.5
399.23993	4.1
400.24673	0.7
422.14615	0.7
423.15274	0.5
423.22488	1.0
443.22983	0.9
459.20477	1.3
460.09131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
57.03335	0.6
58.00481	0.5
59.01267	100.0
60.01613	1.8
61.98716	2.4
69.39207	0.5
69.39608	2.5
71.01273	10.0
72.01612	0.5
72.99216	0.9
73.02844	3.0
83.01308	1.0
85.02844	3.7
85.05610	0.3
87.00780	1.0
88.42197	0.3
89.02340	7.6
90.02689	0.5
95.01273	0.7
96.95898	0.3
97.02861	0.5
98.20539	0.7
99.00826	1.4
101.02357	6.6
109.02861	0.6
111.04452	0.4
113.02362	4.7
116.22057	0.4
116.92831	0.6
119.03429	2.8
121.02918	0.6
125.02378	0.7
131.03621	0.5
143.03458	1.3
151.03954	0.7
151.11296	0.6
152.03481	0.6
159.03114	2.0
161.04520	6.5
162.01947	0.8
165.09178	0.4
166.06342	0.9
169.12306	2.8
177.01875	0.5
179.05571	3.8
179.10759	0.5
180.05995	0.5
184.62970	0.3
186.05148	0.3
192.04288	0.9
197.11880	0.7
198.09256	0.5
207.06551	0.8
210.05286	2.1
213.07990	0.6
214.08498	0.5
214.41531	0.4
223.09807	1.2
225.07704	3.2
237.14919	0.7
242.08319	1.2
253.09201	0.4
265.76144	0.4
271.03461	1.1
297.07709	0.4
343.21588	0.5
387.13342	1.1
399.20215	1.1
399.24274	7.9
400.24481	0.9
415.27255	0.7
443.23007	0.5
459.18976	2.2
459.25885	2.0
460.09427	0.9
460.26764	0.7
460.33093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
59.01265	9.3
61.98717	2.2
68.01299	4.8
71.01266	4.1
71.11294	2.2
71.54684	0.9
78.95833	0.8
85.02866	1.9
89.02332	3.5
89.06005	2.9
96.95929	1.7
97.06490	0.7
101.02370	1.8
108.02077	2.4
109.02888	2.4
119.03419	1.1
121.02887	4.1
123.04427	1.7
124.04809	1.1
125.02374	2.3
137.02394	1.6
152.01111	5.0
153.01706	1.8
154.02209	1.6
155.03500	1.0
156.04509	1.0
158.03670	1.9
159.04407	2.1
161.02341	1.1
161.04509	1.7
170.05994	2.5
171.04526	1.9
172.05240	7.3
173.02348	2.3
173.06059	6.5
174.06721	1.0
177.01904	1.2
177.05501	1.9
178.94255	0.9
184.04004	10.7
186.03204	6.5
187.07617	9.1
191.05511	1.1
195.06659	1.3
196.04059	1.6
196.07317	1.4
198.05606	6.8
199.06366	13.9
200.04811	3.4
200.06783	1.9
201.05403	1.3
202.06375	3.0
212.03572	5.7
212.07132	1.0
213.04262	8.3
214.04439	0.9
214.08685	0.9
215.07143	77.5
216.07465	4.9
225.07742	1.6
230.32109	0.9
234.50720	0.9
237.07710	7.6
237.11372	1.3
242.08261	100.0
243.08580	8.9
269.01022	1.0
296.07886	1.6
458.13556	8.6
459.14063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2614
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
51.37533	0.2
52.64659	0.2
57.03337	0.3
59.01267	100.0
60.01603	1.3
61.58093	0.2
61.98723	0.8
70.96211	0.5
71.01270	4.0
72.71033	0.2
73.02850	1.1
78.95811	0.5
83.01288	0.5
85.02853	1.5
87.00782	0.3
87.14994	0.2
89.02341	1.5
91.03911	0.5
91.80628	0.2
95.01283	0.2
99.00813	0.7
101.02353	3.3
109.06519	0.7
113.02364	1.9
119.03439	0.5
128.99208	0.6
143.03456	0.3
152.99553	0.5
159.02954	0.4
161.04518	4.2
179.05614	0.2
192.83943	0.3
197.11824	0.5
211.13400	0.3
271.02701	0.3
274.90967	0.2
281.27643	0.2
307.19345	0.4
325.20306	2.1
326.20416	0.3
341.23383	0.3
348.79175	0.2
370.67609	0.2
399.23950	10.4
400.24420	1.8
411.74149	0.2
443.23087	0.7
459.25787	2.9
460.09335	0.3
460.26321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2609
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
53.03737	0.7
53.90139	0.8
54.40223	0.7
55.01761	1.3
57.03326	0.9
59.01274	6.6
61.98714	2.2
65.03851	8.0
67.01788	6.1
69.03338	2.6
71.58875	1.2
74.29025	0.8
91.80066	0.8
93.03365	19.0
95.01277	4.9
95.04941	6.8
96.95904	1.9
97.02863	12.3
109.02866	22.2
109.64585	0.8
110.03207	1.0
111.04443	2.3
121.02879	12.9
122.03660	22.5
123.00821	2.4
124.01560	1.3
135.04442	1.0
136.05243	1.2
137.02367	8.4
138.03157	0.8
139.03954	24.0
148.01587	1.4
149.06010	1.9
166.02774	0.9
174.99187	1.1
217.00288	4.7
273.22269	5.2
291.23602	0.8
291.43030	0.8
309.21011	0.9
317.21304	14.0
318.21701	1.6
319.22791	1.6
327.19861	1.1
333.24503	1.4
335.22357	14.2
336.22705	1.8
353.24438	1.0
369.24380	1.9
369.28323	1.4
371.22119	1.5
371.26385	1.4
374.99417	1.9
385.27600	1.2
395.26093	1.3
398.24609	1.6
411.25491	1.3
413.27078	35.1
414.27551	7.0
439.25204	4.3
440.25421	1.0
457.26105	100.0
458.26428	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51888	0.2
59.01267	100.0
60.01605	1.0
61.98726	0.3
71.01272	3.1
71.29589	0.3
71.29916	0.2
73.02847	0.9
83.01311	0.4
85.02838	1.2
89.02380	0.6
96.40540	0.2
99.00823	0.6
101.02354	2.3
113.02383	1.2
117.02322	0.2
143.03477	0.2
159.02982	0.4
161.04494	3.9
163.02576	0.2
178.04544	0.2
247.15958	0.2
399.19406	0.5
399.24069	5.2
400.24600	0.7
400.90564	0.2
443.23120	0.3
459.26242	2.0
460.27115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11333	0.6
56.34919	0.5
59.01278	3.2
61.98713	0.9
62.54830	0.5
62.57150	0.5
69.39873	5.1
69.85793	0.5
71.01273	1.2
80.21040	0.6
85.02858	0.5
89.02348	1.0
93.03369	0.6
101.02378	0.7
102.34186	0.5
105.96281	0.5
107.71662	0.5
109.02843	0.7
111.08081	1.9
113.02348	0.6
115.05476	1.5
124.01579	1.5
125.02387	0.8
139.03867	0.9
143.04965	5.3
159.04456	5.2
169.02946	0.8
171.04491	4.6
173.08141	1.2
185.02396	2.1
186.03258	2.8
186.04555	0.6
187.03995	44.6
188.04320	2.4
189.01811	0.6
197.02480	2.7
198.03104	1.4
199.03986	8.8
199.05894	1.0
199.06363	0.8
202.02676	1.4
213.01941	7.3
214.02682	6.0
215.03513	27.5
215.06961	1.2
216.03851	1.7
217.01436	1.1
225.02028	1.1
226.02724	2.4
227.03529	1.4
241.01480	7.6
242.02252	7.8
242.08255	2.9
243.03027	49.3
244.03363	4.0
245.00919	2.2
246.01608	0.6
252.03055	0.7
255.02942	1.3
256.03601	0.6
260.58313	0.6
269.01007	2.0
271.02472	0.9
281.03415	2.1
282.04199	1.2
283.02432	0.7
287.02054	100.0
288.02368	8.8
296.02094	23.5
297.02390	1.8
301.03635	1.6
310.03690	2.8
329.03101	7.1
376.13116	0.6
403.06741	1.2
430.07742	0.7
431.06213	8.8
457.17288	1.6
458.07413	96.5
458.17850	2.5
459.07739	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	458.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.0
59.01265	9.3
61.98717	2.2
68.01299	4.8
71.01266	4.1
71.11294	2.2
71.54684	0.9
78.95833	0.8
85.02866	1.9
89.02332	3.5
89.06005	2.9
96.95929	1.7
97.06490	0.7
101.02370	1.8
108.02077	2.4
109.02888	2.4
119.03419	1.1
121.02887	4.1
123.04427	1.7
124.04809	1.1
125.02374	2.3
137.02394	1.6
152.01111	5.0
153.01706	1.8
154.02209	1.6
155.03500	1.0
156.04509	1.0
158.03670	1.9
159.04407	2.1
161.02341	1.1
161.04509	1.7
170.05994	2.5
171.04526	1.9
172.05240	7.3
173.02348	2.3
173.06059	6.5
174.06721	1.0
177.01904	1.2
177.05501	1.9
178.94255	0.9
184.04004	10.7
186.03204	6.5
187.07617	9.1
191.05511	1.1
195.06659	1.3
196.04059	1.6
196.07317	1.4
198.05606	6.8
199.06366	13.9
200.04811	3.4
200.06783	1.9
201.05403	1.3
202.06375	3.0
212.03572	5.7
212.07132	1.0
213.04262	8.3
214.04439	0.9
214.08685	0.9
215.07143	77.5
216.07465	4.9
225.07742	1.6
230.32109	0.9
234.50720	0.9
237.07710	7.6
237.11372	1.3
242.08261	100.0
243.08580	8.9
269.01022	1.0
296.07886	1.6
458.13556	8.6
459.14063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2606
Annotation	Caledonic acid
Peak:m/z	Relative Intensity
57.03327	0.6
59.01269	4.3
61.98719	0.8
65.03848	1.3
67.01784	0.8
69.03356	6.0
70.03325	2.0
71.01268	1.3
72.99187	0.8
75.00773	0.5
75.21822	0.5
80.60709	0.5
81.03361	1.4
83.01279	1.3
83.04904	1.0
84.97115	0.5
85.02868	0.7
93.03352	3.1
95.01286	1.1
95.04927	14.6
97.02854	37.1
98.03168	0.8
98.70310	0.6
109.02843	2.5
111.00819	1.4
111.04426	2.6
113.06013	0.9
119.25239	0.5
121.02891	4.5
123.00771	0.7
125.02367	1.9
137.02380	12.8
138.02748	0.6
139.03947	100.0
140.04303	4.8
140.75525	0.6
153.01898	0.6
169.29773	0.5
174.99251	0.9
217.00368	3.2
268.96777	0.7
289.21887	1.2
295.19131	0.9
317.21341	6.1
318.21603	0.6
359.17029	0.5
372.83115	0.5
374.99164	1.1
389.33371	0.6
408.29309	0.6
457.20474	2.0
457.26102	9.7
458.20593	0.7
458.26599	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	457.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27520	1.5
59.01264	3.2
66.73911	1.5
71.01259	1.8
71.59584	2.5
76.01825	3.9
84.41698	1.7
88.98708	5.8
89.02353	3.4
93.85644	1.6
96.95335	3.2
96.95910	21.9
96.96882	2.6
101.02372	2.0
118.02902	31.3
121.02947	1.8
144.18068	1.6
146.02422	100.0
147.02782	4.9
148.03993	3.8
174.03859	1.5
222.05516	2.9
223.03943	2.0
249.04317	2.5
250.05135	15.6
251.05383	2.4
268.06250	1.9
277.06232	11.6
278.06549	2.2
286.81668	1.8
295.07861	2.2
478.48227	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78162	0.3
59.01269	4.2
61.98731	1.0
65.99745	0.4
68.01312	0.5
69.46126	1.9
69.46537	0.7
71.01283	2.9
71.35729	0.3
71.60783	0.4
72.99199	0.6
75.00774	0.3
85.02868	0.7
87.00782	1.4
88.57221	0.3
89.02351	2.3
96.95922	6.0
96.96510	0.5
98.19823	0.8
101.02362	1.1
102.10171	0.4
113.02377	0.8
119.03466	0.6
125.02376	0.4
131.03712	0.5
132.02130	0.5
143.03676	1.0
150.03482	0.4
153.01910	0.3
155.03729	9.9
156.02145	0.5
158.02443	1.2
158.03683	0.4
159.03201	0.9
160.01622	7.0
165.04558	3.3
166.02945	2.4
166.04999	0.3
168.04550	0.9
170.02390	0.6
171.03229	8.1
172.03564	0.5
179.05399	0.4
181.04057	0.4
182.02483	0.4
183.03239	10.9
184.01668	0.4
184.03885	1.5
185.02434	0.7
186.01933	3.7
187.02693	3.4
187.04134	0.4
188.01169	5.6
193.04071	15.7
194.02484	10.4
194.04413	1.4
195.02855	1.1
196.04042	1.2
199.02711	1.3
200.03618	0.5
202.01404	0.6
206.04552	0.4
209.03590	4.4
210.02141	0.5
210.04335	3.9
211.02750	8.4
211.04688	0.6
212.03517	6.5
213.01970	0.6
214.01479	3.6
215.02180	4.4
216.00586	0.4
216.02797	0.3
221.03580	24.5
222.02010	2.1
222.04300	9.1
223.02805	0.6
223.04971	2.6
224.03529	0.4
226.01497	0.4
227.00034	0.3
227.02226	0.9
237.03079	6.0
238.03873	21.9
239.02269	6.2
239.04393	1.3
240.00710	0.3
240.03027	6.5
241.03465	0.5
242.04808	0.3
249.03084	5.3
250.01869	1.9
250.03653	2.2
251.02303	0.5
251.04610	2.7
254.01018	1.4
254.04716	0.4
265.02768	0.8
266.03394	100.0
267.01666	2.4
267.04065	9.3
268.02496	1.4
277.02618	3.1
279.04114	1.0
282.03848	0.5
294.02914	80.0
295.03537	20.4
296.04001	1.4
310.03745	0.5
374.08951	0.6
394.06976	0.4
401.10010	0.7
402.08694	0.4
416.20474	0.4
429.09467	0.7
430.07962	1.3
457.08966	19.4
458.09235	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.3
61.98727	0.5
69.81183	1.5
71.01273	1.8
85.02849	0.5
87.00752	0.4
89.02354	1.4
90.31134	0.3
96.95953	1.5
98.02393	1.0
98.95534	0.5
99.01920	0.4
101.02380	0.5
103.45456	0.3
108.02135	0.4
109.02886	0.3
113.02389	0.5
119.03464	0.4
124.01620	0.3
125.02369	0.4
132.02159	0.5
134.02344	0.3
143.03673	0.7
147.03238	0.3
150.03241	0.4
153.01889	0.4
155.03719	8.5
156.02147	0.4
158.02425	1.5
159.03212	1.0
160.01619	7.3
161.02167	0.4
162.01939	1.4
165.04512	1.7
166.02959	1.5
167.03481	0.5
167.95158	0.4
168.04512	0.4
169.01653	0.4
170.02486	0.7
171.03220	7.4
172.03568	0.4
183.03236	10.3
184.03926	1.1
185.02414	0.6
186.01926	3.9
187.02696	3.3
187.04152	0.4
188.01147	4.7
189.01726	0.3
191.05632	0.5
193.04054	8.1
194.02466	6.2
194.04332	0.7
195.03053	0.6
196.04019	1.0
198.01959	0.4
199.00359	0.3
199.02672	1.3
202.01463	0.7
209.03571	4.7
210.04332	3.5
211.02718	7.3
212.03526	4.7
213.01924	1.3
214.01457	4.4
215.02151	3.9
215.03848	0.3
216.02701	0.3
221.03572	14.0
222.01991	1.5
222.04306	6.0
223.02837	0.6
223.05119	1.8
224.03586	0.5
226.01492	0.5
237.03088	7.0
238.03864	21.9
239.02257	4.4
239.04285	1.3
240.03024	5.5
242.04669	0.8
243.01784	0.6
249.03107	2.9
250.01509	2.0
250.03851	1.4
251.04559	1.5
254.01085	1.6
265.02814	0.6
266.03391	87.7
267.01682	2.4
267.04074	8.5
268.02536	1.0
277.02634	2.3
279.04245	1.2
282.04291	0.6
294.02914	100.0
295.03543	25.6
296.03946	1.5
307.03571	0.4
310.03580	0.6
370.05817	0.4
374.08948	0.7
401.10147	0.5
402.08545	0.5
429.09534	0.3
430.08066	1.6
457.08951	19.6
458.09302	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	455.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.0
57.03334	1.7
58.00477	1.0
59.01267	51.4
61.98715	3.7
62.40116	0.8
64.33708	0.7
69.62760	5.4
71.01274	31.2
71.16805	0.7
71.33723	0.8
72.01604	0.8
72.99199	2.0
73.02836	12.6
73.06232	0.7
75.00775	1.0
79.95616	0.9
83.01276	9.4
85.02848	17.3
87.00767	1.6
89.02331	5.3
95.01295	1.8
96.95930	2.6
97.02890	1.5
97.95416	0.8
99.00798	5.5
101.02356	31.7
101.07440	0.7
102.02602	1.0
103.03936	1.4
108.02081	2.0
109.02855	2.0
111.00803	1.1
113.02357	13.0
113.03088	1.5
119.03417	1.1
125.02372	3.7
137.02341	0.9
143.03406	1.8
151.03969	1.2
153.01811	1.2
159.02928	3.5
161.04524	13.2
163.06020	0.9
164.01175	0.8
179.05659	0.9
205.03453	1.0
229.07263	0.8
249.13477	56.0
250.13847	3.2
270.67563	0.7
395.19318	100.0
396.19736	10.7
438.36609	0.8
455.10876	2.3
455.20798	1.7
456.15582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	0.4
59.01276	1.0
61.98706	0.5
63.94502	0.3
68.20044	0.3
69.84487	0.9
69.84905	0.9
74.02245	0.3
78.95799	7.2
92.26958	0.3
98.19916	0.4
113.09686	0.3
138.03114	0.4
145.08643	0.5
152.99536	14.5
167.83421	0.3
171.00644	0.7
183.61955	0.3
209.19058	0.4
227.03313	2.9
227.20187	100.0
228.20523	7.6
245.04305	1.5
293.21326	1.0
335.22601	0.5
346.46249	0.4
455.24231	30.2
456.24609	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	456.2404
Annotation	Mycotrienol II
Peak:m/z	Relative Intensity
59.01268	8.7
61.98721	2.2
64.79608	0.5
69.53505	4.0
71.01265	3.8
77.88831	0.5
80.69008	0.5
85.02833	1.0
87.00703	0.6
89.02349	3.1
96.95939	0.5
99.08061	0.9
101.02337	1.2
101.11919	0.5
104.08802	0.5
113.02405	0.6
115.07609	0.8
119.03453	0.7
126.99481	16.0
127.99795	0.7
129.01964	0.5
138.83267	0.5
141.09143	3.9
143.10724	1.2
146.03662	11.9
147.04355	0.6
158.03679	0.6
159.04485	4.5
160.05258	11.6
161.04579	0.5
161.05977	2.0
166.09816	1.6
168.53340	0.6
170.06020	0.6
171.03233	11.0
172.05269	2.1
173.06012	1.9
174.03175	0.7
174.06760	0.6
184.04022	41.4
185.04634	5.1
185.06133	1.0
186.06824	2.4
187.03964	1.1
187.07605	4.5
188.04826	2.5
188.08070	0.7
197.04694	2.2
197.06358	0.8
198.05588	9.2
198.07298	0.7
199.05907	0.7
199.07623	1.2
201.05475	0.6
201.09154	0.5
211.03914	0.6
213.09119	1.2
217.00308	0.9
223.11374	1.0
225.05554	1.5
239.14182	0.5
241.12436	6.6
242.12904	0.7
255.14110	0.9
265.12451	0.5
267.10315	2.1
267.13889	0.7
268.11096	0.8
269.11853	6.2
269.14508	0.9
283.13510	6.3
285.11401	6.3
285.14691	0.8
286.12088	1.3
287.12900	8.9
288.13547	2.5
295.12219	0.6
301.14508	6.4
303.16138	0.5
311.12979	4.5
312.12494	14.6
313.13248	25.2
314.13882	7.6
315.14313	0.5
327.14828	1.8
328.15442	3.5
329.13831	2.6
354.14932	0.6
393.20688	2.9
411.21912	12.1
412.22168	1.5
429.22940	14.3
430.23257	2.6
438.22952	1.7
456.24026	100.0
457.17941	1.0
457.24368	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	454.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	7.7
60.01600	1.2
61.01682	1.3
61.98719	100.0
68.19814	0.2
69.58114	1.3
71.01274	1.8
72.01611	0.3
73.01687	0.3
73.02829	0.3
85.02868	0.4
87.00758	0.2
89.02342	1.3
90.02666	0.2
91.02779	0.2
96.95921	0.5
101.02351	1.1
106.43534	0.2
109.02886	0.3
109.93521	0.2
113.02392	0.7
119.03440	0.7
125.02393	0.2
125.82678	0.2
146.06035	0.2
152.01105	0.2
153.01945	0.3
161.04596	0.5
215.07294	0.2
247.09897	0.2
249.13554	0.3
392.24011	0.4
393.24222	0.5
394.24255	2.6
395.19528	0.7
408.20370	0.2
454.20117	0.4
455.20691	0.2
465.71729	0.2
476.78824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98105	1.1
59.01038	1.1
59.01270	12.5
61.98725	8.0
62.28401	1.2
68.01263	1.4
68.99715	1.3
69.00843	1.5
69.61145	1.2
71.01273	9.7
71.53967	2.3
72.99198	2.0
75.71961	1.3
76.01778	1.1
83.01309	1.6
85.02836	3.5
87.00753	1.7
88.94492	1.1
89.02338	7.1
90.03731	1.1
95.01297	1.6
96.95901	5.5
97.02851	1.6
100.52731	1.2
101.02345	4.8
108.02069	2.8
109.02888	2.4
113.02360	3.1
116.01344	1.5
119.03468	1.8
123.00747	1.3
124.01585	1.4
125.02354	5.7
133.01645	2.7
139.03983	1.9
144.00854	2.4
146.02353	2.2
152.04962	2.6
153.01857	3.4
154.02661	1.8
162.02008	2.5
164.05022	3.5
172.00372	12.5
176.04985	4.3
177.04475	3.4
191.06244	1.4
192.04474	7.4
193.04800	1.1
196.03972	1.9
202.05215	1.6
203.06081	8.5
204.04498	1.6
219.05643	5.1
220.04073	14.5
221.04449	1.8
223.92799	1.3
229.89375	1.3
230.04811	3.0
231.05592	5.9
237.04466	9.7
238.05109	2.8
246.04388	2.1
247.05154	20.2
248.03560	37.1
248.05626	1.9
249.03831	3.3
266.04657	2.4
274.03882	4.8
275.04681	100.0
276.05194	15.0
292.04977	41.1
293.05377	5.7
378.87338	1.6
395.18359	1.7
455.10974	14.0
456.11569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	3.4
61.98724	2.3
68.46009	0.4
69.42667	3.1
69.43084	1.0
71.01270	1.7
72.02045	1.1
85.02791	0.5
98.20556	0.8
101.02366	0.7
101.42229	0.4
109.02855	0.6
109.06455	0.4
111.08052	0.6
113.02409	0.6
128.03477	0.8
139.07571	2.4
141.09143	1.0
145.06239	0.8
146.02528	0.9
146.03668	12.5
147.04150	0.9
159.04480	4.2
160.05255	13.9
161.04462	0.6
161.05923	2.3
170.06009	0.5
171.03218	12.8
171.04471	0.5
172.03731	0.9
172.05270	3.6
173.06061	3.0
174.06688	0.5
175.07603	0.9
184.04008	45.5
185.04622	6.9
185.06119	1.6
186.06812	3.3
187.03978	1.4
187.07620	7.2
188.04771	2.6
188.08009	0.8
197.04538	2.3
197.06258	1.1
198.05540	9.6
199.05934	1.0
199.07623	1.0
200.08368	1.2
201.05576	1.4
211.04007	3.1
212.04788	0.5
213.05687	0.5
213.09164	2.5
214.06311	0.9
214.10020	0.5
215.03479	1.1
217.05049	1.7
225.05638	1.0
225.09256	1.0
227.10703	0.7
229.05112	1.7
239.07144	0.8
241.12358	9.1
242.04639	1.6
242.12788	1.0
243.06892	0.5
243.13907	0.6
255.14085	0.9
257.15472	0.5
266.09561	0.9
267.10358	3.0
267.12982	0.5
268.10846	0.9
269.11871	4.9
269.14386	0.6
270.12305	0.5
271.08588	0.5
280.63028	0.5
283.13467	9.1
284.10559	0.7
284.13623	0.9
285.11407	6.9
285.14893	1.2
286.11990	3.0
287.12961	8.4
288.13184	1.0
294.11472	1.0
299.12836	0.7
301.11188	0.7
301.14532	9.6
302.14859	1.0
310.11081	0.5
310.14548	1.0
311.12958	5.1
312.12491	19.5
313.13242	27.1
314.13943	8.7
326.13943	1.1
327.14832	1.5
328.15646	5.0
329.13684	3.0
340.13220	1.9
358.14291	1.6
391.19400	2.2
392.19019	0.6
409.20337	8.5
410.20609	1.3
427.21371	15.7
428.21695	3.1
436.21594	2.6
437.21310	0.6
454.22458	100.0
455.22794	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	453.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13768	0.1
59.01271	0.7
60.36893	0.1
61.98722	0.7
71.01269	0.3
71.55972	0.2
71.56371	0.1
79.95626	5.8
80.13369	0.1
85.02840	0.1
89.02375	0.2
96.95914	100.0
97.95853	0.3
108.02045	0.2
109.02846	0.3
110.97487	0.5
113.02339	0.2
121.02879	0.6
123.00815	0.2
123.04456	0.2
124.01579	0.2
125.02370	1.4
137.02373	0.4
151.03981	0.3
165.05467	0.1
232.02650	0.1
241.05209	0.2
255.06570	0.2
268.07501	0.5
269.08252	1.2
270.09009	0.2
281.08176	0.2
283.09866	1.4
284.10565	0.4
299.57059	0.1
311.09198	0.2
328.09454	0.6
329.10193	0.2
340.09659	0.4
343.11819	0.9
344.12488	0.2
355.11795	0.4
359.06476	0.1
405.36548	0.1
438.06421	0.1
453.08710	35.6
454.09048	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	453.199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56553	0.8
58.00479	2.8
59.01265	100.0
60.01605	1.4
61.98708	3.4
63.67435	0.8
69.03345	1.7
71.01273	31.4
71.27420	1.6
72.01626	1.4
72.99203	2.7
73.02838	17.7
78.95805	1.1
83.01285	3.4
85.02853	11.6
85.99979	1.4
87.00772	7.8
87.04411	2.4
89.02341	28.3
90.02673	1.5
95.01267	1.5
96.95920	1.6
97.02850	0.8
101.02353	33.0
101.03018	1.9
103.03914	12.7
109.02829	1.0
113.02360	6.7
115.03899	4.0
119.03410	12.4
124.01673	1.0
125.02362	3.6
131.03432	7.2
134.95389	0.8
136.62538	0.8
143.03441	9.5
145.05046	4.2
161.04460	1.8
163.06076	46.1
164.06395	1.6
179.05547	4.1
205.07149	15.3
206.07521	1.1
213.49944	0.8
247.11951	4.4
265.09317	6.6
393.17776	34.1
394.18115	3.9
445.07245	1.2
453.09552	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06956	1.2
53.23851	1.2
59.01264	1.9
61.98714	6.0
71.53381	1.4
72.99209	2.4
91.07623	1.3
93.03401	1.8
95.04918	1.2
95.51906	1.3
97.06496	5.2
99.08049	2.1
104.94324	1.1
125.06007	25.7
126.88040	1.6
127.07568	4.1
129.09157	13.8
137.02417	1.7
141.09108	7.6
141.12793	1.6
143.07085	55.2
144.07407	1.8
152.99522	2.4
155.10742	5.5
160.84164	21.2
165.12784	1.6
171.10248	8.7
185.11810	31.0
186.12083	3.5
195.99307	1.7
197.11824	25.9
198.12198	2.1
209.11804	4.2
214.75226	1.3
221.60048	1.3
254.52434	1.3
268.01566	1.6
273.18619	1.5
291.19742	8.5
309.20767	14.5
310.21194	2.0
313.03268	1.5
327.21844	100.0
328.22186	9.8
349.00674	6.0
356.10794	1.7
357.07449	5.2
418.07797	5.5
420.12875	1.8
445.09113	1.4
453.28931	21.2
454.28864	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	453.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02264	1.5
59.01254	5.1
61.98732	9.2
64.90684	1.4
68.49062	1.7
68.53434	1.4
69.03325	1.4
71.62875	2.7
72.99194	6.0
73.02843	2.5
74.48219	1.6
78.95789	2.7
97.06494	6.7
125.06011	30.9
127.07578	4.2
127.11205	2.0
129.09140	14.7
136.49806	1.4
141.09137	7.8
143.07082	51.4
144.07394	3.0
152.99498	4.0
155.10716	6.4
160.84189	18.4
168.22017	1.7
171.10225	6.2
175.94615	1.6
185.11812	33.7
186.12180	3.4
197.11829	29.5
198.12210	2.0
209.11824	4.1
214.78543	1.7
225.11299	1.9
225.18793	1.6
247.20639	2.5
268.01489	1.9
291.19754	10.1
292.19931	2.8
301.94852	1.6
309.20810	14.3
327.21844	100.0
328.22058	10.2
349.00879	6.5
356.10388	2.3
357.07361	6.2
394.15756	2.5
418.07919	5.6
453.29260	19.8
454.29004	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	454.2249
Annotation	Mycotrienol I
Peak:m/z	Relative Intensity
59.01262	2.5
62.06464	0.3
69.89291	0.6
69.89708	1.3
71.01270	1.8
72.02069	0.7
73.02848	0.3
78.73708	0.3
78.95836	0.3
85.02855	0.8
89.02351	0.3
101.02352	1.0
102.05513	0.9
110.55585	0.3
111.08078	0.6
113.02376	0.4
123.08072	0.5
128.03476	0.9
131.05017	0.3
139.07565	1.9
141.06793	0.3
141.09180	0.9
144.05739	0.3
146.03633	11.8
146.04546	1.4
147.04297	0.9
159.04485	4.4
160.05252	13.8
161.02396	0.4
161.06055	2.3
170.05972	0.3
171.03218	12.3
171.04416	0.6
172.03761	0.6
172.05237	3.7
173.06056	3.4
174.03172	0.5
174.06747	0.7
175.07585	1.2
181.06638	0.4
182.06171	0.5
183.03156	0.3
183.04593	0.4
184.04007	43.8
185.04637	6.4
185.06133	2.1
186.05237	0.5
186.06828	3.4
187.03958	1.3
187.07632	5.7
188.04739	3.0
197.04640	3.3
197.05865	0.6
197.06364	0.5
198.05556	9.9
199.05916	0.7
199.07607	1.3
200.04813	0.6
200.08337	0.8
201.05574	1.0
201.09045	0.5
210.05592	0.4
211.04007	2.9
212.04680	1.0
212.06953	0.6
213.05698	0.5
213.09256	1.9
214.09814	0.7
215.03401	1.7
217.05061	1.1
223.11263	0.4
225.05663	0.7
225.09299	0.7
226.09892	0.4
227.10938	0.6
229.05116	1.5
239.07204	0.6
239.14336	0.4
241.12372	8.7
242.04636	2.0
242.12987	1.4
243.13918	0.5
255.14003	1.3
257.15482	0.6
265.12408	0.4
266.09619	0.5
267.10300	2.3
267.13925	0.5
268.10983	0.9
269.11874	4.1
280.11310	0.5
281.11765	0.6
283.13501	8.1
284.10605	0.9
284.13797	0.9
285.11481	6.7
285.14883	0.9
286.12094	1.6
287.12973	8.8
288.13245	0.9
289.14417	0.4
292.18817	0.4
293.12076	0.4
293.17645	1.0
294.11652	1.1
295.12726	0.6
299.12970	0.6
301.14526	8.5
302.14880	1.1
310.10922	0.4
310.14520	0.7
311.12985	4.9
312.12509	19.0
313.13229	25.1
314.13947	8.0
315.14233	0.5
326.13953	0.5
327.14792	1.7
328.15631	4.7
329.13708	3.4
330.14566	0.6
340.13126	1.6
356.15155	0.4
358.14273	1.4
385.15469	0.9
391.19156	3.0
395.20740	0.5
409.20322	9.0
410.20581	1.4
418.20923	0.4
427.21362	16.1
428.21747	3.0
436.21429	1.5
454.22464	100.0
455.22809	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	452.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01269	10.1
60.01606	1.7
60.01880	0.4
61.01698	1.1
61.98721	100.0
66.43347	0.3
71.01264	2.4
71.54036	0.5
71.54411	0.3
72.01617	0.5
72.99217	0.5
73.02855	1.1
75.00767	0.4
78.91794	0.3
78.95808	0.8
83.01298	0.5
84.00415	0.3
85.02863	1.3
86.03191	0.3
87.00764	0.4
89.02359	0.8
96.95945	1.0
99.00825	0.6
101.02351	3.3
102.02707	1.2
103.02789	0.3
109.02898	0.6
113.02374	1.3
114.02702	0.4
151.04007	0.4
160.03197	0.3
161.04546	1.3
162.04892	0.8
163.04976	0.6
166.05083	0.3
189.01903	0.3
190.02402	0.3
217.01294	0.4
339.62616	0.3
358.06714	0.5
390.22311	0.6
391.23224	1.2
392.23291	6.0
393.23813	0.5
452.11572	0.4
453.18616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.279
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.62445	0.2
59.01270	0.5
61.98723	1.1
62.75819	0.2
62.96288	0.3
70.68911	0.8
74.44965	0.2
78.19445	0.2
78.95796	21.3
81.03303	0.3
96.96839	0.3
122.00032	0.8
123.04434	0.3
140.01128	4.9
152.99539	2.1
159.10280	0.3
169.76419	0.2
171.00581	0.4
178.20956	0.3
184.05017	0.2
196.03778	10.1
210.62361	0.2
214.04886	2.5
220.93872	0.2
255.23340	100.0
256.23672	10.2
310.21082	0.3
314.48743	0.2
414.27396	1.1
452.28049	35.4
453.28329	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	452.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	43.4
60.01294	0.3
60.01603	5.7
61.01694	3.2
61.98721	100.0
62.02028	0.3
62.98418	0.3
63.99147	0.5
70.23620	0.2
70.36575	0.2
70.89986	0.5
71.01270	2.6
72.01614	0.4
73.02847	0.7
83.01300	0.6
85.02861	0.9
86.03181	0.2
86.32059	0.2
87.00800	0.3
89.02336	0.8
99.00759	0.5
101.02358	1.7
102.02655	0.6
113.02380	1.2
114.02687	0.2
123.04395	0.4
124.01579	0.2
125.02367	0.4
137.02379	0.3
148.51582	0.2
153.05443	0.3
159.02968	0.2
161.04506	1.2
162.04814	0.6
163.05000	0.3
165.01909	0.4
179.03484	0.2
180.04156	0.3
195.06564	0.3
207.27547	0.2
213.44528	0.2
218.99048	0.2
225.07607	0.4
241.99324	0.2
274.27930	0.2
391.22672	0.5
392.23770	4.2
393.23584	0.5
436.22156	0.8
442.45239	0.2
452.12320	0.5
452.18500	0.2
452.25757	1.0
453.26175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88728	0.2
58.66021	0.2
59.01266	4.9
59.68490	0.2
60.01609	0.5
61.01692	0.4
61.98720	100.0
71.01273	2.0
71.62118	0.4
71.72643	0.2
72.01638	0.3
73.02840	0.4
80.66058	0.2
85.02863	0.5
87.00794	0.4
89.02332	0.7
93.03373	0.8
94.03689	0.3
96.95927	1.8
101.02339	1.7
102.02700	0.3
108.02115	0.4
109.02910	0.3
113.02391	0.9
119.03419	0.3
123.04434	1.5
124.04797	0.6
125.02396	0.6
137.02380	1.6
137.99518	0.2
138.02724	0.6
139.00323	0.4
149.04503	0.3
152.01022	0.3
153.01872	3.9
153.99026	0.6
154.02258	1.5
154.99406	0.2
161.04555	0.7
165.05617	0.4
167.03551	0.3
168.04166	1.0
169.01387	0.7
169.04730	0.9
170.01665	0.4
229.05246	0.4
281.06772	0.4
282.07104	0.8
283.06891	0.3
285.44882	0.3
289.10928	1.0
290.11203	2.0
291.11591	0.3
303.60764	0.3
324.77872	0.3
329.08490	0.3
390.22302	0.3
392.23022	2.2
393.18118	0.5
452.12994	4.0
453.13608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	10.0
60.01608	2.1
61.01695	1.8
61.98719	100.0
67.24490	0.3
71.01272	1.3
71.60085	0.4
72.99202	0.3
73.02814	0.4
78.95796	0.6
83.01275	0.4
85.02884	0.5
88.79965	0.3
89.02349	0.9
89.94567	0.3
96.95954	0.7
101.02360	0.7
109.02900	0.6
111.52868	0.3
113.02384	0.5
114.02763	0.3
119.03448	0.3
124.01662	0.4
125.02384	0.7
130.82840	0.3
134.52065	0.3
135.37640	0.3
141.02446	0.4
144.20654	0.2
153.01956	0.4
161.04543	0.5
162.04865	0.4
163.04933	0.3
184.78271	0.3
204.86201	0.3
239.94379	0.3
291.21884	0.4
314.08975	0.3
334.27621	0.3
392.22995	0.8
395.30292	0.3
452.08920	0.5
453.20642	0.3
453.27386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.1
58.02855	0.3
58.85454	0.1
59.01264	1.5
61.98721	1.1
62.42748	0.1
65.03860	0.1
69.03342	0.2
71.01270	0.9
71.54301	0.1
72.04440	0.1
73.02818	0.2
80.04951	0.4
81.03351	9.2
82.03674	0.2
82.06520	0.1
83.01293	0.3
83.04917	29.5
84.05236	0.7
85.02849	0.4
89.02328	0.3
90.59579	0.1
93.03356	1.5
95.01276	0.1
96.04456	0.1
97.02872	0.1
98.02406	0.1
99.00809	0.1
100.07579	0.3
101.02345	0.7
107.06042	0.8
108.02101	0.2
108.04462	1.0
109.02877	0.8
111.00780	0.1
113.02357	0.4
114.01289	0.1
119.04926	0.1
121.02872	0.1
123.00814	0.5
124.01592	0.9
125.02382	2.4
125.07138	3.8
126.05536	0.7
135.04460	0.2
136.01601	0.1
137.02377	3.2
137.99513	0.1
138.02725	0.1
139.00301	1.3
139.03914	0.5
140.01102	0.2
143.08192	2.0
145.02913	0.1
147.04454	0.1
149.99542	1.5
151.00294	0.1
151.57675	0.1
152.00986	0.1
153.01883	1.0
154.02652	1.4
155.03412	0.2
161.02444	0.1
161.04520	0.1
167.03439	0.2
168.00610	3.0
168.04210	0.3
169.01160	0.3
169.05008	1.0
177.01920	0.5
183.14948	0.1
189.01901	1.3
191.03520	0.1
203.12898	0.1
207.15012	4.0
208.13387	0.3
208.15370	0.2
216.00664	0.2
217.01433	1.3
218.01849	0.1
219.03076	0.1
224.17696	5.9
225.16095	17.0
226.16409	1.2
231.02972	0.3
242.18791	2.3
250.15627	0.3
266.18701	0.1
268.16751	0.3
269.04666	0.2
271.06021	0.1
273.00366	0.2
281.06738	2.2
282.07178	0.2
283.06207	0.2
290.22412	0.4
292.20587	0.2
306.22021	0.2
307.23962	0.3
308.23730	0.1
309.21884	0.8
311.05682	1.0
313.05634	0.1
322.25089	0.1
324.26611	2.6
325.27023	0.3
331.06830	0.5
333.23044	5.4
334.23743	0.5
339.27826	0.4
341.29300	0.2
350.24759	0.1
351.24088	1.4
352.24521	0.2
357.06277	1.1
358.06476	0.2
367.27219	1.3
368.27429	0.2
385.28119	0.5
391.23233	0.4
406.30774	0.2
415.30786	0.2
433.31949	8.8
434.32349	1.4
451.32996	100.0
452.09067	0.6
452.33313	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	452.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	26.8
60.01612	3.4
61.01692	2.7
61.98717	100.0
69.77901	1.1
69.78304	3.1
71.01276	6.5
73.02840	2.5
83.01296	0.7
85.02843	1.5
85.35653	0.6
87.00762	0.7
89.02329	4.5
101.02345	6.0
103.03908	1.8
113.02367	1.5
115.03941	0.8
119.03407	1.3
123.00809	0.8
124.01667	0.5
124.03976	0.7
125.02374	1.9
131.03442	0.8
143.03429	1.5
145.05070	0.7
161.04561	1.7
162.31284	0.6
163.06085	4.8
179.05679	0.8
190.98619	0.6
205.07185	2.2
227.16519	0.8
228.16824	0.9
247.11948	2.5
292.33133	0.8
391.22687	0.7
392.22885	2.0
393.17706	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	451.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60151	0.5
57.03341	1.2
57.07288	0.5
59.01262	3.9
61.04166	0.5
61.98714	2.6
69.03336	0.7
70.69982	1.0
70.70347	1.2
71.01279	3.1
72.02057	1.0
72.99206	6.1
78.95836	0.5
81.03368	1.0
81.06976	0.6
83.04919	3.5
84.02066	2.6
95.04932	0.9
97.06503	7.9
99.04430	1.0
99.08065	2.6
108.02129	0.7
109.06490	1.3
110.03535	0.6
111.08025	0.8
112.05218	0.9
115.07562	1.8
121.02920	0.9
123.04536	0.7
125.06012	37.2
125.09664	3.2
126.06358	1.6
127.07575	10.3
135.08110	1.6
137.09648	0.9
139.07547	2.0
141.09131	1.0
143.07083	84.0
144.07404	3.8
153.09167	7.0
155.10747	2.9
160.84155	2.3
160.89259	1.5
163.11232	3.1
165.12822	2.0
171.10236	8.3
178.09967	2.7
181.12260	0.8
185.11812	12.8
191.10699	1.7
191.14465	1.0
197.11829	13.2
197.13571	1.0
198.12462	0.6
207.10265	1.1
209.11830	54.1
210.12148	3.9
225.11507	0.6
227.12941	0.8
236.10545	1.3
238.12180	3.8
239.16594	0.8
245.19160	2.4
253.18066	0.9
255.12563	0.9
256.13266	1.5
263.20135	0.9
265.18137	1.4
279.19855	1.1
289.18207	7.0
307.19229	64.2
308.19556	6.4
325.20279	100.0
326.20621	11.2
391.18524	1.2
433.25851	1.3
451.08765	1.1
451.27161	28.6
452.03836	1.3
452.27527	4.4
472.90363	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	451.2865
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
55.01774	2.0
57.39519	0.2
59.01267	1.5
71.11349	0.4
78.95789	0.4
79.05428	0.2
81.03352	4.1
83.04915	1.0
87.61568	0.2
90.53612	0.2
91.05433	0.4
95.04941	1.3
96.95909	0.5
108.02097	0.3
109.02858	0.4
109.06503	0.3
122.03664	4.0
123.04457	8.5
124.04715	0.2
125.02337	0.4
133.06561	0.2
135.04459	5.4
136.05243	2.6
137.02423	0.3
137.06033	1.3
143.07210	0.2
145.08626	0.9
147.04390	0.3
148.05254	0.3
149.06029	4.2
150.06647	0.2
158.84511	0.2
159.04491	0.6
161.06013	1.1
163.07597	1.2
163.11122	0.2
164.08028	0.2
169.07767	0.2
175.07610	0.5
177.09177	0.3
182.04471	0.2
185.58604	0.2
189.09048	0.3
191.10760	0.5
205.12326	0.3
209.11882	0.9
216.51886	0.2
219.13849	0.4
225.11139	0.2
247.17035	0.2
260.87482	0.2
261.18652	0.3
273.18677	0.2
278.95154	0.2
287.20181	0.6
293.21271	0.3
299.20575	0.3
301.21753	0.6
305.17627	0.8
313.21902	0.4
315.23355	3.9
316.23831	0.5
323.18750	0.2
325.21658	0.3
327.23264	0.5
341.25027	0.3
351.27176	0.2
353.25107	0.4
365.28665	0.6
367.26572	0.6
377.25049	0.2
381.28091	1.1
391.18140	4.1
391.26495	0.7
392.18530	0.4
393.24094	0.3
395.25824	0.5
405.28287	0.3
407.29605	6.0
408.30179	1.1
409.27588	2.4
410.27631	0.3
419.42731	0.2
433.27829	0.2
451.28647	100.0
452.28970	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	451.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14495	0.3
52.61269	0.3
53.91570	0.3
57.03339	3.0
59.01262	3.6
61.98717	0.7
65.00220	0.8
69.74033	0.2
70.81817	0.6
71.01266	1.0
81.03344	5.2
83.01268	8.6
84.01626	0.4
85.02834	0.3
89.02357	0.6
93.03376	0.4
95.01296	0.4
95.04933	0.6
99.04412	0.4
101.02341	0.5
107.01286	0.5
108.02079	0.4
109.02856	6.6
110.03270	0.3
121.02852	0.6
123.04442	35.2
124.04758	1.3
125.02371	36.0
126.02727	1.5
134.36424	0.3
135.04457	3.3
137.02332	0.4
139.03894	0.4
145.02870	0.6
147.04544	0.3
149.02390	1.4
151.00290	2.1
152.00688	0.4
153.01915	0.3
161.02449	0.3
161.04558	0.4
161.06015	0.6
163.03935	0.9
167.03453	100.0
168.03790	4.2
177.01883	0.9
179.03447	2.3
187.03976	1.2
188.04742	0.3
189.01935	1.2
190.02715	0.4
191.03487	2.3
203.07147	0.7
216.00658	0.4
217.01375	1.0
219.02939	0.4
227.07126	0.8
231.02997	0.4
233.04616	0.4
245.08275	2.4
254.57094	0.3
271.06195	5.5
272.06476	0.6
288.06433	0.4
289.07251	80.5
290.07574	7.6
313.07352	0.6
341.06610	1.7
357.06378	1.4
390.22037	0.3
391.23349	0.9
451.10886	1.9
452.11243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79044	0.8
55.01760	1.5
57.03332	1.2
59.01269	13.0
61.98716	5.7
68.99668	0.9
69.47815	4.0
69.48235	3.3
71.01274	15.8
72.99178	1.0
73.02823	4.9
81.03360	5.4
83.01275	3.8
83.04926	11.7
85.02850	7.3
89.02341	2.4
93.03362	31.9
94.03734	1.2
95.01297	6.4
96.99216	2.2
97.02868	1.4
98.20552	1.6
99.00773	1.4
101.02359	14.3
108.02073	4.1
109.02883	3.9
109.99989	2.8
111.00793	3.2
113.02358	7.2
121.02892	2.7
123.00808	30.3
123.04439	3.7
124.01608	12.0
125.02330	2.5
135.04448	1.1
136.01613	4.3
137.02382	60.8
137.99483	2.4
138.03218	10.5
139.00311	43.8
139.03952	6.9
140.01018	3.5
147.04443	1.4
151.00249	1.7
151.03989	2.0
152.01115	4.9
153.01886	32.3
153.05496	0.9
154.02670	46.6
154.03929	2.2
155.03474	8.4
161.02370	1.5
161.04491	1.7
166.02672	1.0
167.03455	9.8
168.00632	0.9
168.04242	6.3
169.01418	1.4
169.05031	30.6
169.96307	1.1
170.05367	1.0
177.01974	2.2
177.49631	0.9
189.01927	3.5
191.03485	1.8
207.15012	2.4
209.04568	1.1
217.01463	2.1
221.04544	1.1
224.17734	1.7
225.16037	5.5
242.18819	1.2
244.58049	1.0
275.14819	0.9
277.10892	1.2
281.06750	77.3
282.07166	5.8
296.05295	1.1
297.06223	3.4
311.04681	1.5
311.07877	13.5
312.08191	1.1
333.22964	1.5
341.06750	5.8
347.46722	0.9
355.59372	0.9
391.23593	4.7
433.32043	2.7
445.49249	0.8
451.12595	100.0
451.32977	53.8
452.12915	13.9
452.33289	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.3
57.03349	0.5
58.00484	0.7
59.01266	100.0
60.01600	1.1
61.98712	1.4
70.02587	1.5
71.01273	11.9
72.99203	0.6
73.02849	0.9
75.00760	0.4
76.11798	0.3
83.01294	0.6
85.02840	2.7
87.00784	0.8
89.02341	18.9
95.01302	1.1
98.02411	0.3
99.00788	0.3
101.02345	7.8
108.02079	0.3
109.02902	0.5
113.02357	7.1
119.03423	9.0
119.04247	0.6
124.01643	0.3
125.02378	1.1
131.03462	0.7
139.03947	0.4
142.06560	0.4
143.03477	1.3
149.04538	0.7
153.01871	0.6
161.04495	5.4
178.53584	0.3
178.99760	0.3
179.05594	5.4
193.01427	0.6
203.08275	0.8
229.06288	0.6
229.18057	0.5
245.09409	0.5
313.08615	1.0
319.97281	0.3
391.23477	27.5
392.23834	3.4
451.08783	0.6
451.25949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71109	0.5
55.00800	0.5
59.00990	0.8
59.01266	13.8
61.98717	3.0
69.03330	0.6
70.90009	1.6
71.01267	2.8
72.99187	0.8
73.02814	0.8
75.00769	18.4
78.95795	0.7
81.03357	2.1
83.01287	2.1
83.04913	0.7
85.02827	0.8
89.02339	1.7
89.03854	0.8
89.43915	0.6
93.03362	9.3
95.01284	1.1
95.04920	1.8
96.95911	1.2
97.02827	1.0
99.00780	0.7
99.97918	0.6
101.02377	2.1
101.11123	0.6
107.01328	0.7
108.02077	0.8
109.02866	53.0
110.03195	1.8
111.04449	3.1
113.02335	1.6
117.03396	2.6
119.04953	3.4
121.02877	1.9
123.00806	2.8
123.04445	13.5
124.01595	2.2
124.04753	0.8
125.02379	25.9
126.02692	1.0
133.02885	7.1
134.03609	1.1
135.04433	1.9
137.02383	5.5
137.87868	0.6
138.02991	0.7
139.03947	20.4
141.01753	0.8
143.04976	0.8
145.02887	7.3
147.04448	5.4
149.02379	2.5
150.03116	0.8
151.00322	0.9
151.03973	7.3
153.01886	8.4
159.04446	2.3
161.02393	10.0
161.04469	1.4
161.06027	1.6
162.03102	2.8
163.00346	1.0
163.03937	2.1
165.01842	1.9
166.02702	2.9
167.03462	15.6
173.02345	0.7
175.03978	1.4
176.01131	3.1
177.01895	58.2
178.02249	3.7
179.03491	3.2
185.06062	1.0
187.03983	3.9
188.04584	1.0
189.01909	96.6
190.02596	13.8
191.03473	13.7
192.03850	1.0
201.01903	1.3
203.03508	7.8
213.05473	0.8
216.00645	16.7
217.01424	99.6
218.01787	8.1
219.02997	17.1
219.06499	0.9
220.03206	0.7
221.04446	1.2
222.01761	1.0
227.07124	1.3
229.05162	4.4
229.08705	0.8
231.03015	20.2
232.03517	2.4
233.04568	4.9
239.07098	0.8
241.05093	7.9
243.06653	1.5
255.06662	1.0
267.03134	0.8
268.03986	1.2
269.04623	7.0
270.04892	1.7
271.06183	7.2
272.06577	0.8
280.03793	1.0
281.04623	3.8
282.04971	0.8
283.06177	10.8
284.06467	1.5
287.05670	4.5
289.07254	10.5
297.04236	1.5
297.07703	2.2
299.05695	5.6
305.06723	6.4
311.05682	42.5
312.06046	5.9
313.06912	1.8
321.04099	1.1
323.05704	1.6
325.07263	2.8
339.05209	1.8
341.06741	100.0
342.07065	11.9
356.54257	0.6
357.06238	80.9
358.06561	10.3
391.23599	3.3
433.09360	1.6
451.10471	82.0
452.10803	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	451.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77874	0.7
57.03343	0.9
59.01268	25.1
60.01613	1.3
61.74504	0.8
61.98718	15.4
71.01273	9.0
71.52564	1.4
72.99197	1.2
73.02863	1.2
75.00771	9.4
81.03352	2.4
83.01278	0.9
83.04936	0.9
85.02840	3.1
89.02365	6.7
89.03894	1.2
93.03365	14.0
95.01288	2.0
96.95911	2.5
97.02859	1.1
101.02342	4.7
103.05396	0.8
105.77207	0.8
108.02084	3.6
109.02871	35.6
110.03193	0.9
111.00852	0.9
111.04443	5.9
113.02357	2.5
117.03358	3.8
119.03429	2.5
119.04963	3.9
121.02877	1.4
123.00798	4.3
123.04462	2.0
124.01572	2.2
125.02374	32.6
126.02753	0.8
133.02927	4.3
135.04445	1.0
137.02409	5.8
138.03061	1.2
139.00319	0.8
139.03960	24.2
140.04256	1.1
145.02884	8.3
147.04477	2.4
149.02353	1.5
151.03938	6.0
152.01103	2.5
153.01820	5.3
159.04489	0.9
161.02361	4.3
161.04562	2.1
162.03064	0.9
163.00336	1.8
165.01904	3.5
166.02675	4.6
166.99823	2.3
167.03474	11.3
173.04478	4.4
175.04036	1.0
175.57024	0.9
176.01117	2.9
177.01906	37.2
178.02315	2.3
179.03462	3.1
179.05661	2.0
187.04025	1.8
189.01912	84.7
190.02359	5.2
191.03462	9.1
193.01260	0.9
197.04579	2.7
203.03479	6.0
216.00629	10.0
217.01437	93.9
218.01759	6.4
219.02977	6.8
225.05598	1.1
227.07176	1.0
229.05035	2.3
231.03011	14.7
233.04596	5.4
241.05124	12.9
242.05392	1.8
255.06729	1.2
267.02994	1.3
268.03738	1.1
269.04620	9.1
270.04916	1.5
271.06320	7.0
274.01242	2.3
283.06183	13.1
283.10947	1.6
284.06473	1.7
287.05676	2.3
289.03439	0.9
305.06766	7.5
310.04895	1.3
311.05682	64.3
312.06049	8.4
313.07095	1.2
314.90887	1.0
319.17673	1.1
321.04263	1.8
325.07486	4.1
339.05228	2.2
341.06729	1.9
357.06250	93.6
358.06644	11.1
390.22366	1.1
391.23438	5.0
424.11951	0.9
433.09167	1.5
451.10434	100.0
451.25443	2.7
452.10764	16.7
461.33691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61103	1.1
59.01261	2.7
71.01271	1.3
71.51957	1.6
78.95817	3.6
85.02851	4.1
87.00772	3.0
89.02345	1.3
93.03362	2.4
96.95918	24.7
96.96828	5.5
98.20553	1.2
111.04459	1.2
116.96893	1.0
127.03945	2.0
127.79527	1.2
134.03680	2.8
135.04468	26.1
155.03494	1.1
161.02437	3.8
173.04507	4.7
177.99657	3.0
179.03484	25.5
180.03900	1.2
191.05594	100.0
192.05952	4.0
202.96762	1.3
259.62311	1.2
353.08777	36.9
354.09216	3.8
451.09250	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	451.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21486	0.1
57.03347	0.1
58.02868	0.2
59.01266	1.8
61.98718	1.6
69.03345	0.3
71.01270	1.1
71.60241	0.2
72.04432	0.2
73.02832	0.2
76.49969	0.1
80.04956	0.2
81.03353	7.4
83.01275	0.4
83.04917	21.1
84.05263	0.2
85.02847	0.4
87.00771	0.1
87.86954	0.1
89.02339	0.4
93.03359	2.3
95.01290	0.3
97.02827	0.3
99.00769	0.2
100.07572	0.2
100.79283	0.1
101.02350	0.9
102.02666	0.1
107.06066	0.7
108.02092	0.5
108.04466	0.8
109.02844	0.7
110.00000	0.1
113.02374	0.5
119.04914	0.2
121.02882	0.2
123.00788	0.9
124.01589	2.1
125.02375	4.3
125.07136	2.8
126.05502	0.4
136.01534	0.2
137.02385	4.2
137.99489	0.1
139.00302	1.8
139.03883	0.4
140.01053	0.2
143.08180	1.0
149.02293	0.1
149.99524	3.0
151.00230	0.4
151.03922	0.2
153.01901	1.0
154.02654	1.6
155.03348	0.3
161.04538	0.1
163.03850	0.1
167.03400	0.3
168.00603	6.4
168.04172	0.3
169.01360	0.6
169.05022	1.1
169.13211	0.1
173.86168	0.1
177.01935	0.7
179.03352	0.2
185.64159	0.1
189.01910	1.6
189.05513	0.1
193.01326	0.1
203.03328	0.2
203.12798	0.1
207.15030	2.6
208.13327	0.2
216.00581	0.2
217.01418	1.5
222.15955	0.1
224.15439	0.1
224.17686	4.0
225.16089	11.8
226.16235	0.3
229.04953	0.2
231.02872	0.2
241.05009	0.2
242.16655	0.1
242.18759	1.6
250.15479	0.3
257.07782	0.1
268.16443	0.4
269.04395	0.1
273.00311	0.2
275.59354	0.1
277.10764	0.2
281.06729	2.8
282.06934	0.2
283.06070	0.2
290.22293	0.3
306.21762	0.1
307.23810	0.2
309.21838	0.6
311.02734	0.1
311.05621	1.1
312.05920	0.2
313.05585	0.3
324.26614	1.7
331.06784	0.9
333.23016	4.2
334.20963	0.1
334.23422	0.1
339.27460	0.2
341.06348	0.2
341.29111	0.1
351.24155	1.2
357.06232	1.4
367.27258	0.8
373.72455	0.1
385.28101	0.5
391.23486	0.7
392.23450	0.1
397.72900	0.1
406.30469	0.1
433.07404	0.3
433.31912	6.0
434.31854	0.4
450.31155	0.3
451.08466	10.5
451.32986	100.0
452.08786	1.3
452.33322	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	451.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	2.3
65.03862	0.5
69.03336	1.5
69.77560	0.5
71.01292	0.6
71.37206	0.9
72.60407	0.5
81.03369	0.8
81.34221	0.5
83.01275	1.0
85.02867	0.9
89.02914	0.5
93.03363	34.7
94.03693	1.0
95.01299	1.6
95.81190	0.5
96.95933	0.8
97.02857	2.4
101.02350	0.6
105.46815	0.4
107.01298	1.0
108.02113	1.3
109.02885	1.0
121.02877	0.6
123.00806	6.4
124.01585	17.1
125.02380	35.4
126.02737	1.1
133.77501	0.5
135.04527	0.6
137.02382	61.3
138.02687	2.8
143.10733	0.7
149.02443	0.7
149.99536	32.1
151.00327	2.7
151.03926	1.1
152.00658	0.7
161.02415	0.8
167.03462	1.4
168.00603	75.8
169.01361	9.5
179.03523	0.8
183.04558	0.9
211.02284	0.5
223.09741	0.4
227.03500	6.5
228.03853	1.1
246.08578	0.5
295.56403	0.5
299.35587	0.6
313.05725	15.9
314.06061	1.6
331.06796	38.8
332.07111	3.2
451.08932	100.0
452.09250	16.7
452.15543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.3
58.40335	0.3
59.01267	9.6
60.01597	0.3
61.98719	100.0
65.00198	0.4
65.06000	0.2
71.01282	2.2
71.28440	0.3
71.60069	0.3
73.02837	0.9
83.01286	0.6
85.02849	0.9
87.00759	0.3
89.02352	1.3
89.98302	0.3
93.03376	1.4
96.95957	0.3
101.02357	1.6
103.10390	0.3
107.01319	1.0
109.02843	1.8
113.02380	0.9
119.03431	0.3
122.64626	0.3
123.00808	0.5
125.02391	1.9
135.04448	2.9
136.04808	1.5
137.02411	0.9
139.03973	1.1
145.02924	0.3
149.02461	0.3
151.00340	3.2
152.00639	1.9
156.90546	0.3
160.01675	0.4
161.02390	0.3
161.04539	0.9
165.01794	0.3
166.02699	0.7
166.05098	0.3
166.06297	1.6
167.03477	0.6
177.01878	1.7
179.03526	0.3
189.01901	4.2
192.04404	0.4
200.78723	0.3
203.03526	0.4
207.06660	0.4
210.05305	3.1
211.05806	0.3
216.00674	0.6
217.01427	4.2
225.07683	4.6
226.08020	0.5
231.03073	0.6
241.05199	0.7
242.08253	0.3
269.04745	0.9
271.06180	0.6
283.06287	1.0
287.05783	1.3
288.05963	2.2
305.06747	0.6
311.05707	4.3
357.06223	4.2
387.13101	5.1
388.13635	0.5
389.22043	1.2
390.22260	2.3
391.23438	0.7
450.11481	1.1
451.10593	5.3
451.25000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2708
Annotation	Usambarine
Peak:m/z	Relative Intensity
55.01788	1.7
59.01268	16.9
59.81075	0.3
60.01587	0.4
61.47640	0.3
61.86646	0.3
61.98709	0.4
62.77033	0.3
63.97263	0.3
71.01271	1.3
71.33472	0.8
73.02843	0.4
78.95794	1.7
81.03352	6.1
85.02845	0.8
91.05467	0.4
93.03349	0.4
95.04932	1.0
96.33536	0.4
96.95923	1.2
97.77641	0.4
99.98956	0.4
101.02363	1.1
107.04932	2.1
108.02095	0.4
109.02874	0.6
113.02368	0.4
115.05446	0.6
119.04932	1.3
120.29813	0.4
121.02838	0.4
121.06544	0.4
122.03654	5.2
123.04451	9.5
125.02361	0.5
135.04440	2.5
136.05249	2.7
137.02400	0.8
137.06017	1.4
146.03717	1.0
147.04468	3.1
148.05234	3.7
149.06035	9.7
150.06436	0.4
159.04468	7.6
160.05136	0.7
161.04510	1.2
161.06036	5.0
162.06755	0.9
163.07588	1.1
173.06013	1.0
174.06818	0.7
175.07646	0.8
185.06087	0.7
187.07640	0.6
188.08427	0.6
191.10779	0.5
194.05853	0.7
197.11752	0.5
198.49512	0.4
241.11040	0.4
261.18530	0.5
272.19925	0.4
283.51367	0.3
287.20227	3.3
289.21979	0.4
301.21848	1.3
311.20135	0.4
313.21771	1.9
325.21719	0.5
339.23895	0.4
363.26907	0.7
365.24890	0.6
389.21637	1.9
389.85349	0.4
405.28180	1.9
406.28345	0.4
407.26129	2.5
408.26669	0.6
431.26239	0.6
447.25461	0.4
449.27078	100.0
450.27429	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	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.6
59.01266	100.0
60.01607	1.3
61.98723	0.7
70.34860	1.0
70.35258	0.7
71.01279	6.0
72.48223	0.3
73.02840	3.0
75.00774	0.9
83.01308	1.2
85.02845	4.0
88.94174	0.3
89.02353	1.2
99.00789	1.7
101.02351	9.9
101.03015	0.6
113.02361	3.2
119.03447	0.6
143.03453	0.7
159.03044	0.8
161.04503	8.2
162.04929	0.5
199.54602	0.3
205.88423	0.3
227.16641	1.1
287.18881	0.6
325.22763	0.4
332.53375	0.4
389.21909	22.1
390.22177	3.9
449.24094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14782	0.4
57.03331	0.8
58.00480	1.5
59.01266	100.0
60.01606	1.4
61.98730	2.6
69.55376	3.6
71.01271	20.6
72.99213	1.5
73.02836	1.0
75.00775	3.1
83.01286	1.1
85.02857	3.2
87.00790	1.5
89.02341	31.8
90.02676	0.7
95.01306	0.9
96.95918	0.7
98.20615	0.7
101.02351	13.5
112.04285	0.6
113.02360	9.6
119.03423	15.0
119.70703	0.5
125.02367	1.2
131.03419	2.3
133.02882	0.7
134.03709	1.0
135.04456	0.7
143.02501	0.5
143.03389	2.7
149.04561	1.9
151.00307	1.2
151.11290	1.3
153.09174	3.1
155.54329	0.5
161.04507	7.1
169.12302	6.4
173.04608	0.8
177.01875	0.9
179.05580	13.8
180.05966	0.8
209.15515	3.4
213.11270	1.4
227.12991	0.9
227.16556	6.0
228.16971	0.5
231.10274	0.8
275.09360	3.3
317.06836	1.1
389.21912	34.1
390.22220	4.6
449.10760	0.7
449.20218	7.5
449.26068	0.6
450.21207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.4
58.00476	0.7
59.01267	100.0
60.01609	0.7
61.98729	0.4
62.64964	0.4
69.29324	1.3
69.29752	3.1
71.01273	17.8
72.01668	0.4
72.99206	1.3
73.02855	1.1
80.96413	2.6
83.01290	1.4
85.02841	3.1
87.00797	1.4
89.02341	28.5
93.03380	0.9
94.97997	0.4
95.01297	1.1
101.02345	9.6
107.01286	1.0
109.02914	0.5
113.02360	8.7
113.03156	0.4
117.03376	1.0
119.03414	13.1
119.04865	0.6
123.00817	0.4
124.01609	1.3
125.02374	1.6
127.24678	0.4
131.03429	1.8
135.04471	3.9
137.02402	1.0
141.23137	0.4
143.03430	2.9
145.02888	4.0
145.03941	0.5
146.03242	2.1
147.03464	1.2
149.04506	1.1
151.00322	5.0
153.09152	3.3
161.04521	6.0
164.98628	0.5
166.02678	0.7
177.01904	0.7
179.05574	13.2
179.86987	0.4
180.05930	0.7
189.01988	0.6
191.05626	1.3
201.05553	0.5
209.11591	0.4
209.15443	3.3
225.00836	0.5
227.16502	0.4
231.10243	0.5
241.05167	1.1
243.06750	1.7
269.04694	1.9
270.05151	0.5
275.03406	0.5
275.09396	1.0
286.45663	0.4
287.05728	6.3
288.06174	0.9
302.16330	0.4
308.08542	0.5
309.08868	0.4
311.05743	0.5
317.03174	1.2
359.20779	2.6
377.18423	0.4
389.21915	29.0
390.22302	3.3
449.11108	7.1
450.11969	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
57.03338	0.4
59.01267	100.0
60.01610	1.2
69.77173	0.4
69.77579	1.3
71.01273	5.7
71.04918	0.2
73.02838	1.6
75.02937	0.2
83.01281	0.6
85.02840	2.5
87.00803	0.2
89.02342	1.5
95.01306	0.4
99.00796	0.6
101.02351	3.3
113.02365	2.4
119.03456	0.7
125.02372	0.2
135.04460	0.2
139.07582	0.2
143.03470	0.5
155.10779	0.7
159.02979	0.5
161.04524	4.3
161.05812	0.3
163.89648	0.2
179.05580	0.5
189.62492	0.2
209.07234	0.2
227.16516	1.6
258.69577	0.2
389.21960	5.4
389.26654	0.4
390.22479	0.9
449.24228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04115	0.2
56.71189	0.2
57.03334	0.3
57.95210	0.2
59.01268	100.0
60.01606	1.7
61.98734	1.1
62.01668	0.3
71.01271	4.9
71.17645	0.6
73.02853	1.9
83.01283	0.7
85.02850	2.5
87.00784	0.3
89.02348	1.0
90.33002	0.2
95.01274	0.3
99.00811	0.8
101.02347	4.0
101.69791	0.2
113.02357	2.2
125.02399	0.6
133.02917	0.3
143.03479	0.4
159.02986	0.7
161.02458	0.4
161.04504	5.7
179.05583	0.3
203.97672	0.3
224.90045	0.2
227.16667	0.5
233.73776	0.3
270.64548	0.2
298.15933	0.2
304.73911	0.2
389.21893	6.3
390.22360	0.7
429.69827	0.2
433.20718	1.1
449.11060	0.8
449.24283	1.2
474.48956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58772	0.2
52.23382	0.2
55.01776	1.4
56.08984	0.2
57.03339	1.5
58.00485	1.0
59.01267	100.0
60.01603	1.5
61.01690	0.3
61.98721	5.7
62.79973	0.2
63.02290	0.7
65.00214	0.9
71.01271	19.1
71.52464	0.3
72.01622	0.4
72.99204	1.7
73.02837	7.3
73.55198	0.2
74.03200	0.3
75.00771	0.6
83.01282	4.5
83.04942	0.2
85.02847	10.4
87.00775	1.3
89.02341	5.0
91.00282	0.3
93.03365	0.7
95.01281	1.3
96.95929	0.7
97.02863	0.6
99.00788	3.2
101.02351	24.7
102.02685	0.8
107.01289	1.8
108.02079	0.2
109.02902	0.7
110.58472	0.2
111.00785	0.4
113.02364	8.6
117.03407	0.3
119.03429	1.8
119.04881	0.2
121.02873	0.6
122.78324	0.2
123.00778	0.3
123.04385	0.4
124.01616	0.7
125.02369	1.7
129.01900	0.3
131.03462	0.5
135.04459	0.6
135.48370	0.3
137.02385	0.6
139.00325	0.5
143.03438	1.4
149.02402	0.3
149.04497	0.3
151.00325	4.1
152.01097	3.1
153.01772	0.4
159.02934	2.0
159.04454	0.7
161.02348	0.7
161.04510	12.2
162.04884	0.5
164.03520	0.3
165.01900	4.3
167.03459	0.4
169.01395	0.8
173.06114	0.4
178.99834	2.5
179.05621	1.5
179.06999	0.3
183.04570	0.3
187.07599	0.5
191.05626	0.9
191.14513	0.2
197.06258	0.2
197.24670	0.2
201.05528	1.1
201.11191	0.4
202.06364	0.3
205.03561	0.6
213.05560	0.3
225.05586	1.1
227.16531	0.8
231.10190	0.3
235.05989	0.3
241.05107	0.9
243.06639	2.9
244.06953	0.3
269.04617	8.6
269.17661	1.5
270.04895	0.8
271.02621	0.5
275.09442	0.3
287.02399	0.5
287.05685	7.3
287.18729	1.0
288.06006	0.6
316.02240	1.1
317.03015	0.2
329.19901	0.3
389.21927	41.6
390.22278	6.0
401.74380	0.2
411.16766	0.7
419.11249	0.3
449.11215	6.0
449.17679	0.3
449.19565	0.4
449.24384	0.4
450.11581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1512
Annotation	Suvorexant
Peak:m/z	Relative Intensity
50.83307	0.4
59.01266	13.7
61.04134	0.4
61.98703	1.2
62.96298	24.2
63.79958	0.4
68.57099	0.4
69.83208	1.0
69.83620	1.3
71.01263	1.4
75.66457	0.4
78.95798	54.0
80.97364	32.3
83.01270	0.6
85.02803	0.6
87.00741	0.5
88.40633	0.4
89.02338	0.4
96.95937	1.0
96.96925	0.6
98.19791	0.7
99.00784	1.8
101.02357	0.8
104.47289	0.4
111.00819	0.8
113.02328	0.8
118.90968	0.4
144.44170	0.4
147.26657	0.4
149.00041	14.1
151.01604	0.8
152.99512	2.1
156.00592	5.3
161.02357	0.8
161.04558	0.6
177.05618	0.5
179.01120	1.8
191.03529	0.5
205.15947	6.9
230.89813	0.4
242.98314	5.3
285.12640	2.1
355.16888	15.3
356.17303	1.8
385.17950	21.1
386.18417	2.6
389.21002	0.9
419.20654	0.5
431.20667	1.0
449.15134	100.0
449.21387	5.6
450.15439	10.9
450.21844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66853	3.2
56.30368	3.5
59.00988	7.1
59.01270	100.0
61.98713	5.4
69.71745	23.6
71.01267	57.3
76.62755	3.8
85.02835	7.5
89.02340	79.4
101.02358	39.9
108.42561	4.0
113.02354	26.7
119.03432	39.5
125.02328	3.9
133.04845	3.4
143.03427	9.5
145.82477	3.4
161.02449	9.4
161.04471	6.9
176.04759	12.1
179.03525	17.0
179.05576	23.2
191.07095	4.3
194.05872	25.0
209.08195	81.9
210.08640	5.1
227.09090	8.9
389.14761	23.7
421.40729	3.6
435.03604	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	449.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	7.2
59.02398	0.2
61.98719	1.7
62.34377	0.2
62.82888	0.2
62.96303	0.3
63.31822	0.2
69.51218	0.5
69.51619	1.3
71.01271	0.5
73.36261	0.2
78.95797	49.2
79.08689	0.2
85.56182	0.2
96.95914	0.4
96.96868	6.1
96.97499	0.3
98.20535	0.3
99.00780	0.3
101.02355	0.5
113.02377	0.2
124.01644	0.2
143.03636	0.2
149.31956	0.2
150.97954	1.6
152.19055	0.2
152.99533	100.0
153.99875	2.1
161.04510	0.7
171.00600	3.8
174.28503	0.2
175.54080	0.2
177.05542	0.3
180.56255	0.2
198.05792	0.2
239.02562	0.2
295.22803	0.6
389.21783	0.6
449.23175	15.9
450.23529	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	449.2319
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
55.57899	0.1
59.01270	1.7
62.96298	0.2
70.07974	0.6
70.08392	0.3
78.95798	46.8
91.76736	0.2
96.96871	6.3
98.19878	0.2
116.92796	1.1
116.97156	0.2
143.76181	0.2
150.97984	2.0
152.99533	100.0
153.99863	1.8
154.99921	0.3
156.89481	0.3
161.02359	0.2
171.00609	4.1
195.13956	0.3
277.21771	0.2
278.21887	0.2
295.22952	0.6
302.33511	0.2
389.21631	0.3
414.59714	0.2
440.19788	0.2
449.23190	14.5
450.23566	2.0
470.16666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52842	0.5
55.01764	0.7
57.03342	1.2
58.00494	1.9
59.01268	100.0
60.01609	1.2
60.14892	0.5
61.98720	2.6
67.01798	0.5
71.01273	27.4
71.52372	0.5
71.52731	0.8
72.99206	2.1
73.02840	4.1
75.00767	0.7
81.03391	0.5
82.12578	0.4
83.01278	2.5
85.02842	6.3
87.00776	1.7
89.02342	25.1
90.02654	0.5
93.03375	0.8
95.01295	2.0
96.95937	0.7
97.02881	0.9
99.00780	2.3
101.02354	19.1
102.02710	0.5
103.78718	0.5
107.01340	0.9
108.02084	0.5
109.02883	0.7
111.00817	0.6
113.02358	12.2
117.03384	1.4
119.03424	10.8
119.04774	0.4
121.02834	0.8
123.04459	0.7
125.02363	4.4
131.03456	1.4
133.02884	1.5
134.03674	1.5
135.04465	3.9
137.02403	1.5
139.00339	0.6
143.03427	2.4
143.04503	0.7
146.02486	0.6
149.02380	0.7
149.04515	0.8
151.00316	4.1
153.01888	1.0
159.02986	1.1
161.02394	0.7
161.04507	9.9
162.01878	0.4
167.03430	2.0
173.04506	1.4
177.01888	1.4
178.02667	0.8
179.05588	7.9
185.04745	0.8
189.01918	0.8
191.05667	1.4
193.01344	0.5
197.15359	0.9
205.03610	0.5
213.07808	0.5
214.08780	0.7
215.07091	0.8
219.03015	0.5
224.07222	1.1
231.10289	1.8
242.08247	2.2
259.06186	1.0
269.04575	0.7
272.03137	0.6
275.09354	5.8
284.05768	1.3
287.02570	0.7
287.05695	4.0
302.03711	0.5
316.02386	0.9
317.03159	0.8
347.70193	0.5
359.20840	64.5
360.21204	7.5
360.56000	0.4
371.20605	0.8
389.21884	4.2
390.22217	0.6
449.09586	1.6
449.15274	0.9
449.22906	0.8
449.27750	1.7
450.08521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01602	0.8
69.61237	3.4
69.61660	1.9
70.78127	0.7
71.01278	5.5
73.02849	1.6
83.01298	0.9
85.02866	2.3
89.02338	1.5
94.65791	0.6
99.00819	0.7
101.02360	3.7
113.02390	1.9
118.94950	0.8
132.21741	0.7
161.04530	6.0
170.22481	0.8
236.72025	0.7
389.21915	4.8
433.21136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.95743	0.4
60.01609	1.4
61.73927	0.5
70.87522	1.1
71.01276	6.8
71.04929	1.1
73.02849	1.8
73.36141	0.5
83.01286	0.5
85.02835	3.2
89.02351	1.9
95.01270	0.6
99.00806	0.7
101.02351	3.8
105.55849	0.5
113.02354	3.2
125.02383	0.6
129.81345	0.6
131.97563	0.4
137.60963	0.5
139.07591	1.1
142.13219	0.4
143.03481	0.5
145.42261	0.5
155.10707	4.3
159.02986	0.8
161.04503	7.8
227.16556	5.0
389.21860	10.8
389.26682	0.7
390.22223	1.0
396.67715	0.4
433.21112	0.6
444.48083	0.5
449.24222	1.0
473.04846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.2
59.01268	10.5
61.98721	9.8
63.02287	1.2
65.00212	9.5
67.80743	0.2
69.30068	2.5
69.65337	0.3
71.01270	2.1
71.94645	0.2
73.02835	0.5
75.00777	0.2
78.91810	0.3
81.03362	0.4
83.01279	4.7
85.02859	1.0
89.02344	1.0
89.05725	0.2
96.00797	0.3
96.08105	0.3
97.01608	1.1
98.02396	0.3
101.02361	1.6
107.01299	18.2
108.02128	0.8
108.04472	0.3
108.99284	0.4
109.02869	1.7
109.05280	0.5
111.00799	0.3
113.02370	1.2
117.03404	0.5
118.79360	0.3
119.03389	0.4
119.04932	0.2
120.08130	0.7
122.12690	0.3
123.00837	0.4
124.01638	0.3
124.07603	7.3
124.72532	0.3
125.02385	5.0
133.02922	0.7
134.03645	1.2
135.04459	71.6
136.01617	0.3
136.04782	3.2
137.02383	0.5
138.05473	0.3
143.03500	0.2
145.02904	1.2
146.03262	0.7
151.00322	100.0
152.00642	4.0
159.04440	0.4
161.02455	1.7
161.04543	1.0
164.01152	0.9
165.01941	0.6
166.02582	0.3
169.01392	1.7
174.03123	0.4
175.03943	0.5
177.01892	1.1
186.39517	0.3
189.02040	0.3
191.05597	0.4
196.00119	0.5
201.05583	0.3
215.03517	0.3
225.07744	0.5
227.12918	0.3
231.10245	0.5
243.03107	0.7
243.15092	1.7
244.03236	0.4
245.03638	0.3
269.04611	0.7
271.02548	0.3
273.03070	0.6
275.09247	0.8
277.64847	0.2
283.05365	0.3
285.04388	0.4
287.05685	75.0
287.14075	16.1
288.06039	7.0
288.14459	1.2
297.09814	1.0
301.15646	0.7
302.03329	0.3
315.04712	0.3
323.07977	0.3
329.15137	1.1
387.13168	0.4
389.21896	3.6
449.10876	29.5
450.11151	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	448.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72034	0.3
52.93896	0.2
58.91249	0.3
59.01265	6.4
61.98718	100.0
66.85187	0.3
69.19829	0.6
69.20232	2.6
71.01300	0.6
72.99198	0.6
73.02853	0.3
78.95790	3.9
89.02354	0.4
89.21085	0.3
96.95914	0.4
96.96900	0.5
101.02328	0.3
113.02363	0.4
115.00266	0.4
116.92786	1.2
116.97208	0.5
117.03413	0.7
133.01367	0.4
133.02875	4.9
134.03693	0.5
135.04465	1.7
147.84267	0.3
152.99539	4.6
153.99902	0.6
161.02394	26.1
179.03497	0.4
287.22385	3.1
317.67892	0.3
333.20584	1.4
367.10620	0.3
389.22000	0.6
431.24683	0.5
448.22128	0.7
449.25632	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	449.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
56.40063	0.4
57.03345	0.6
58.00484	0.6
59.01265	76.5
60.01601	3.8
61.01698	2.7
61.98717	21.1
63.02288	0.5
64.83301	0.4
65.00208	7.7
68.99695	0.6
69.31653	3.1
69.32064	0.8
71.01269	14.2
72.01605	0.6
72.99193	0.8
73.01682	0.4
73.02846	2.3
78.95809	1.4
83.01281	4.4
85.02842	4.2
87.00780	1.5
89.02336	16.8
93.03361	17.4
94.03709	0.9
95.01296	1.5
96.96880	0.3
96.99239	0.8
97.02837	0.6
99.00797	0.7
101.02344	10.3
102.02734	0.6
103.02802	0.4
107.01299	13.9
107.04939	0.5
108.02084	14.0
109.02905	2.7
111.00745	0.4
113.02351	7.5
119.03416	6.2
121.02859	1.3
123.00742	0.6
123.04449	9.6
123.05301	0.7
125.02365	4.2
131.01315	1.0
131.03404	0.7
134.03671	1.0
135.04453	65.8
136.01610	1.4
136.04767	2.9
137.02373	29.6
138.02719	1.4
143.03444	2.2
147.04495	0.5
147.27042	0.4
149.04524	0.8
151.00310	85.6
152.01103	30.5
153.01535	1.2
161.02417	1.7
161.04506	5.8
162.04839	1.3
163.05052	0.8
165.01913	1.2
167.03450	42.8
168.03775	2.1
169.01402	1.9
175.00311	6.8
176.00728	0.5
177.01880	1.5
178.99773	0.7
179.03424	0.5
179.03741	0.5
179.05568	8.6
187.07655	0.5
191.03502	0.7
191.05566	0.7
193.01390	1.8
205.01469	0.6
212.03659	0.5
213.03903	0.7
225.05540	0.5
250.62523	0.4
257.05630	0.5
259.02362	0.4
269.04712	3.2
277.22809	0.3
281.06732	30.8
282.07025	2.4
287.05673	100.0
288.06027	10.2
313.05746	0.8
316.02237	1.3
317.03085	0.4
329.06808	0.4
329.63718	0.4
387.20413	0.9
388.20642	1.9
389.21475	9.5
390.21936	0.5
405.11966	0.4
449.11020	37.9
449.24377	1.0
450.11365	6.3
471.27744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1105
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03322	0.3
59.01270	6.6
61.98719	6.5
63.02288	1.2
65.00212	8.7
66.00558	0.3
69.49925	0.7
69.50353	1.0
71.01276	1.5
73.02850	0.4
73.45004	0.2
75.25903	0.2
81.03346	0.3
83.01281	4.8
83.10180	0.2
85.02841	0.9
87.00774	0.2
89.02345	0.9
93.03323	0.3
95.01345	0.3
96.08101	0.4
96.95910	0.3
97.01604	0.9
98.06031	0.4
99.00787	0.3
101.02385	1.0
107.01302	18.1
107.04922	0.4
108.01537	0.4
108.02168	0.4
108.04493	0.3
108.99242	0.3
109.02873	1.6
113.02355	0.7
117.03415	0.2
119.03478	0.3
120.08119	0.8
124.01605	0.3
124.07603	7.4
125.02367	4.6
125.07993	0.4
126.05561	0.3
133.02841	0.5
134.03683	1.0
135.04454	69.9
136.01573	0.4
136.04788	3.6
137.02357	0.4
138.05559	0.3
145.02899	1.0
146.03288	0.5
146.73247	0.2
151.00317	100.0
152.00653	4.4
159.03053	0.2
159.04495	0.3
160.01561	0.2
161.02417	1.5
161.04520	0.7
164.01099	0.8
165.01886	0.8
165.94725	0.2
169.01366	1.7
174.03246	0.3
175.03885	0.3
177.01878	1.0
178.02556	0.3
178.08734	0.2
183.04570	0.2
189.02017	0.3
191.05600	0.3
192.06584	0.2
196.00082	0.4
215.03676	0.2
225.07652	0.3
231.10315	0.2
238.24673	0.2
243.15031	1.2
245.03578	0.2
269.04672	0.7
271.02484	0.3
272.03018	0.3
275.09354	0.6
286.04849	0.2
287.05695	63.8
287.14081	13.7
288.06042	5.7
288.14395	1.3
297.09882	1.0
301.15674	0.7
316.05157	0.3
323.07767	0.2
329.15109	1.5
337.09406	0.3
389.21909	2.1
389.26181	0.3
449.10910	24.5
450.11356	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	447.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92179	0.5
59.01269	11.9
69.82877	2.1
71.01271	1.4
78.95795	5.7
79.95652	0.5
80.96417	1.4
101.02356	1.0
104.97397	0.4
110.98436	3.9
113.02383	0.8
117.03379	0.5
145.02893	1.0
147.49380	0.4
152.99548	3.0
161.04543	0.9
167.01093	1.7
181.31822	0.4
185.02173	3.5
225.15019	0.8
279.23361	100.0
280.23697	12.2
309.91077	0.4
387.20172	1.1
419.60193	0.5
446.71347	1.9
447.25339	6.9
447.31271	3.1
448.25485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72494	0.4
57.43326	0.3
57.56220	0.3
59.00990	0.6
59.01270	10.9
71.01279	1.4
71.36044	0.7
73.02847	0.4
77.03353	0.3
78.95792	2.3
79.95641	0.5
80.96416	1.1
85.02850	0.4
89.02335	0.6
94.98001	0.4
101.02366	1.0
110.98464	0.8
113.02358	0.8
117.03383	23.8
118.03700	1.1
119.04941	5.8
120.05313	0.5
121.02866	5.9
122.60045	0.4
123.04446	1.5
133.02873	1.2
134.03659	0.4
145.02895	56.9
146.03258	2.4
147.04504	0.7
152.99516	1.6
153.09221	0.4
161.02348	0.6
161.04483	0.7
162.03169	1.3
163.03978	4.0
170.59386	0.3
185.02153	0.7
185.05873	0.4
225.14952	0.5
279.23364	28.1
280.23703	3.3
299.25592	0.4
315.03851	0.4
365.52457	0.5
387.20197	1.3
387.24997	0.4
393.90506	0.4
445.29828	0.6
446.71335	1.2
447.31259	100.0
448.31589	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	447.3128
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
59.01266	6.8
63.69143	0.2
63.92256	0.2
70.85087	0.2
71.01263	0.6
73.02830	0.3
78.95795	0.7
79.95638	0.4
80.96423	0.6
89.02341	0.5
93.03341	0.4
101.02353	0.6
105.76256	0.3
111.20730	0.2
113.02382	0.3
117.03384	24.1
118.03725	1.0
119.04949	7.6
120.05276	0.4
121.02879	7.0
123.04453	1.6
133.02844	1.3
134.03659	0.5
145.02896	60.6
146.03244	3.4
147.04445	0.7
152.99510	1.3
158.88116	0.2
161.04491	0.5
162.03214	1.3
163.03973	4.0
164.04434	0.3
195.56433	0.3
232.59424	0.3
279.23395	2.7
280.23798	0.5
281.03046	0.2
342.91333	0.3
385.96161	0.2
386.01938	0.2
387.20233	0.6
429.30127	0.2
445.29639	0.8
446.71362	0.3
447.31268	100.0
448.31583	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	448.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05709	0.5
59.01269	41.6
59.53043	0.4
60.01606	1.6
61.98721	100.0
65.00222	0.6
69.64171	3.6
71.01273	5.6
73.02841	0.9
77.95257	0.4
83.01276	1.3
85.02861	1.7
87.00761	0.4
89.02343	4.9
93.03355	3.0
99.00777	0.5
101.02362	4.1
107.01319	0.6
109.02885	1.1
111.04445	0.7
113.02341	2.7
119.03425	2.5
121.02880	0.8
125.02385	4.5
135.04451	4.5
144.61150	0.4
151.00325	4.4
153.01874	0.5
154.99741	0.5
155.03236	0.4
161.04485	2.7
165.05556	0.5
173.04514	10.9
173.06013	0.7
178.99873	0.8
179.05609	1.6
187.03952	0.5
191.05682	0.7
193.01405	1.0
216.04274	0.6
227.16553	1.7
231.06671	1.2
259.06168	3.3
269.04657	2.5
269.17773	1.7
275.05725	0.7
287.05707	5.6
329.06799	1.7
351.99692	0.5
388.20764	4.3
389.22006	3.1
390.40045	0.5
437.96533	0.5
449.11151	5.4
449.24432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	0.4
59.01267	100.0
60.01596	1.2
61.34305	0.2
65.03068	0.2
67.79073	0.2
70.87968	0.3
71.01273	7.3
72.99214	0.4
73.02834	0.3
81.54282	0.2
83.01295	0.3
83.57040	0.3
85.02850	0.7
87.00781	0.4
89.02343	14.0
95.01318	0.6
95.86237	0.2
98.19809	0.4
101.02361	4.3
113.02364	3.7
119.03422	6.8
125.02383	0.3
131.03432	0.7
143.03438	2.1
149.04495	0.9
151.00337	0.3
159.51033	0.2
161.04533	2.5
179.05573	7.2
180.06009	0.3
180.24599	0.2
227.03511	4.9
228.03976	0.5
229.04907	0.3
255.03012	6.1
256.03513	1.0
284.03320	6.7
285.03992	2.3
387.20300	2.3
409.82996	0.2
447.09454	12.9
447.22467	2.3
448.09683	2.1
448.22986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.3
59.01266	100.0
60.01591	1.3
61.98721	0.5
70.64428	0.3
70.64780	0.8
71.01272	7.2
72.99173	0.3
73.02854	1.2
83.01278	0.7
83.02367	0.3
85.02842	2.0
85.49709	0.3
87.00786	0.4
88.54469	0.2
89.02346	4.5
95.01291	0.5
99.00799	0.7
101.02347	5.1
113.02369	2.7
119.03423	2.4
119.35615	0.3
125.02326	0.4
137.06059	0.2
139.00322	0.6
143.03484	1.1
159.02985	0.8
161.04503	6.1
162.04883	0.4
179.05612	1.3
225.15050	0.5
272.52167	0.3
387.20355	16.0
388.20581	1.6
431.19604	0.3
447.22501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.6
57.03338	0.5
58.00477	0.2
59.01267	100.0
60.01609	1.1
61.98733	0.3
65.47123	0.1
67.09526	0.1
68.99721	0.1
69.21244	1.5
71.01273	8.9
72.99206	0.4
73.02842	2.4
75.00761	0.2
76.49308	0.1
83.01269	0.8
85.02850	3.3
87.00795	0.3
89.02342	4.1
95.01318	0.6
99.00788	1.1
101.02349	7.3
102.02730	0.1
108.98370	0.1
109.02888	0.3
111.00852	0.2
113.02362	4.3
114.02715	0.2
119.03415	1.9
120.72736	0.1
123.00780	0.2
123.04450	0.4
125.02390	0.4
131.03479	0.3
133.02882	0.2
137.09689	0.2
143.03371	0.7
149.02367	0.1
149.04510	0.2
152.47266	0.1
153.01901	0.3
159.02942	0.9
161.02539	0.8
161.04507	8.5
162.04881	0.3
179.05583	0.7
182.76195	0.1
195.02983	0.3
196.03317	0.1
205.03590	0.3
239.09230	0.2
255.05231	0.6
256.05551	0.5
308.07321	0.2
323.07895	0.2
387.20340	17.1
388.20642	2.4
400.43607	0.1
431.19415	1.2
447.13007	0.5
447.22427	1.3
447.28555	0.2
448.22601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67885	0.2
59.01273	2.4
61.98738	0.5
62.96303	0.3
66.12656	0.2
70.59501	0.4
70.59834	0.4
71.01288	0.5
72.99210	1.1
78.95798	50.3
89.02328	0.3
96.96870	6.2
113.09632	0.3
115.00284	0.8
120.43692	0.2
122.19170	0.2
133.01372	0.2
139.07520	0.3
139.94978	0.2
150.97952	1.7
152.99532	100.0
153.99878	2.3
171.00616	4.9
209.11661	0.3
238.64424	0.2
293.21329	0.9
331.18970	3.4
332.19348	0.6
447.21570	13.3
448.22000	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52889	0.2
55.01746	0.2
59.01266	9.6
61.98715	0.5
69.03325	0.3
69.50570	0.5
69.50990	1.5
70.85147	0.3
71.00890	0.4
71.01269	4.8
72.99207	0.4
73.02847	1.2
73.57349	0.2
75.00759	0.3
83.01275	0.5
83.04930	0.3
84.45885	0.2
85.02856	1.1
87.00787	0.6
89.02338	4.4
89.02843	0.4
95.01287	0.4
99.00781	0.6
101.02343	4.1
111.38724	0.2
113.02349	1.9
119.03425	1.3
125.02395	0.3
130.47183	0.3
131.03427	0.4
143.03372	0.4
149.04480	0.6
161.04488	1.4
165.12840	0.3
167.10634	0.4
167.14371	0.6
179.05627	0.7
183.13876	5.6
191.05382	0.3
193.12279	1.5
211.13391	100.0
212.13718	7.0
221.26982	0.2
225.14938	0.5
235.08293	0.5
241.09816	0.7
253.09338	11.5
254.09695	0.7
266.09784	0.2
275.41025	0.3
291.06754	0.2
300.03223	0.3
315.18210	0.9
387.20309	0.8
447.22360	4.9
448.22723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03345	0.5
58.00476	0.2
59.01267	100.0
60.01600	1.1
60.52896	0.2
64.92334	0.2
70.29383	0.7
71.01272	10.3
72.99213	0.4
73.02839	3.1
75.00764	0.2
83.01279	1.0
85.02844	3.9
87.00792	0.6
89.02348	4.0
95.01309	0.8
97.02886	0.3
99.00773	1.3
101.02351	8.6
108.09745	0.2
109.02879	0.3
111.00850	0.2
113.02369	4.5
117.89548	0.2
119.03416	1.6
127.94621	0.2
133.02869	0.2
142.17108	0.2
143.03441	0.9
149.04497	0.2
151.00342	0.4
151.04103	0.2
153.01924	0.5
154.02263	0.3
159.02931	1.6
161.02417	0.5
161.04509	11.5
162.04910	0.4
176.51160	0.2
179.05600	0.6
195.02980	0.7
196.03357	0.3
205.03493	0.3
212.03691	0.2
225.11273	0.3
225.15030	0.4
255.05205	0.7
256.05569	0.9
284.03339	3.5
285.04111	6.9
286.04584	0.8
387.20352	18.2
388.20663	2.5
447.09271	4.4
447.22476	0.9
448.09534	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1308
Annotation	5-Hydroxy-3,6,7,8,3',4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
52.70962	0.3
55.01774	0.3
57.03326	0.3
59.01268	23.9
60.01596	0.6
61.98717	0.9
70.79286	0.9
71.01271	7.0
73.02851	1.5
83.01273	0.9
85.02857	3.7
89.02354	2.5
89.71441	0.4
95.01263	1.6
97.02830	0.5
99.00797	0.7
101.02345	2.7
108.01506	0.2
108.02084	15.3
109.02874	16.3
110.03181	0.7
113.02364	3.0
117.03381	15.1
118.03710	0.4
119.03429	1.1
119.04939	4.4
121.02913	0.8
123.00805	5.7
123.04488	0.5
124.01601	6.0
125.02377	0.7
132.02098	15.5
133.02907	3.7
134.03664	12.9
135.04536	1.6
137.02397	1.5
138.03152	1.4
139.03946	3.3
145.02892	56.3
146.03227	2.3
147.04524	0.4
149.06030	2.4
151.03996	0.5
160.01613	76.4
161.02386	13.3
161.04562	1.1
162.02832	0.5
163.03964	3.7
175.03967	93.3
176.01068	0.4
176.04303	5.8
178.02658	1.1
179.03484	1.6
179.05612	0.7
184.22246	0.4
191.07130	0.3
193.05038	10.9
194.05319	0.6
208.16133	0.3
217.05086	0.6
221.04561	0.4
251.05594	0.4
255.03110	0.5
277.07495	0.3
300.02856	0.6
301.03641	0.6
304.38129	0.4
307.08325	10.0
308.08755	1.0
323.07764	3.9
337.09375	19.8
338.09830	1.7
357.77847	0.4
385.99512	0.3
387.20313	0.6
407.20636	0.3
432.10938	0.6
447.13104	100.0
448.13461	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79755	0.2
59.01265	4.2
61.98711	0.3
62.96295	1.2
65.68959	0.1
69.54713	1.2
71.01269	0.6
78.95796	41.0
84.76714	0.2
85.02854	0.3
89.02353	0.2
96.95916	1.0
96.96867	3.0
101.02373	0.2
107.56792	0.2
113.02334	0.2
133.97668	0.2
142.53627	0.2
149.00038	19.2
150.00397	0.4
151.01617	0.2
152.99539	5.9
153.99828	0.2
158.92493	1.8
161.04469	0.2
171.00574	0.2
179.01114	2.3
183.03868	0.2
205.15964	1.5
240.96788	0.3
267.11646	0.4
331.19095	0.6
333.06607	0.2
347.08127	0.4
387.20465	0.5
417.12671	1.0
431.10394	2.7
432.10703	0.3
447.13538	100.0
448.13876	12.9
448.20453	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.2
61.98709	0.8
62.96306	1.1
69.97831	0.6
70.43307	0.1
78.95797	35.6
96.96849	2.2
109.89932	0.1
110.62112	0.1
149.00038	16.0
150.00346	0.3
151.01602	0.2
152.99553	1.7
158.92506	1.5
179.01118	2.1
181.84044	0.1
205.15913	1.2
240.96669	0.2
267.11542	0.4
331.18988	0.2
333.06598	0.2
347.08316	0.6
417.12668	0.9
418.71930	0.2
431.10355	2.2
432.10577	0.4
447.13528	100.0
448.13873	12.9
448.20624	0.2
464.10199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89118	2.1
59.01266	61.9
59.10886	1.7
69.45014	3.3
69.45417	15.4
71.01295	13.0
73.02840	80.2
73.03250	4.5
75.00787	3.4
83.01280	2.9
85.02845	33.6
89.02348	4.5
95.01289	2.3
96.95936	2.9
97.02866	1.9
98.19794	4.0
99.00702	1.9
101.02354	8.5
103.03919	85.5
106.91513	2.1
108.58649	2.0
111.00788	2.4
113.02383	4.8
119.03445	3.0
121.02878	2.4
123.00809	71.0
124.01602	65.7
125.02369	2.3
138.03168	49.6
139.00337	3.5
139.03957	92.3
140.04260	2.7
145.05016	3.2
149.02420	3.1
150.03165	6.0
161.01167	2.3
161.04517	16.1
165.05487	9.4
179.05653	3.8
181.05083	3.3
217.07115	10.2
220.48758	2.2
229.05078	2.2
283.08307	100.0
284.08453	10.9
301.09406	3.2
357.12070	18.6
359.29861	2.1
359.34134	2.3
369.12064	4.1
387.20404	4.0
387.64825	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	447.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01352	0.4
57.03386	0.7
59.01321	16.3
61.98482	0.7
61.98721	2.2
70.93910	1.1
71.01270	5.7
71.67227	0.5
73.02905	1.4
75.00769	4.3
77.85163	0.5
78.00949	0.4
83.01318	0.8
84.76143	0.4
85.02844	2.7
89.01917	0.5
89.02318	2.3
95.01351	1.3
99.00834	0.7
101.02339	3.4
107.01335	0.6
108.02080	4.6
109.02866	4.2
111.00840	0.4
113.02348	2.5
117.03384	23.8
117.40083	0.5
118.03745	1.1
119.03448	0.5
119.04948	7.1
121.02858	0.7
123.00810	5.1
123.04425	0.8
124.01585	11.7
124.02429	0.8
125.02375	1.8
132.02101	3.4
133.02913	2.0
134.03648	4.3
135.04510	0.7
138.01918	2.9
138.03067	1.0
139.02263	1.3
139.03932	5.0
145.02895	92.0
146.03218	4.7
149.06058	1.2
151.00342	3.7
153.01808	0.6
160.01605	21.9
161.02422	5.5
161.04518	2.2
161.06084	0.5
163.03961	5.9
171.04497	0.8
175.03975	26.4
176.04318	1.5
178.99828	1.1
187.03885	0.8
192.02867	0.5
193.05042	2.6
199.03998	3.7
201.01808	1.6
203.03528	0.9
203.07002	0.6
204.04163	0.5
211.13260	0.6
215.03500	3.8
220.18073	0.4
226.02541	1.5
227.03523	4.3
229.01421	0.8
231.28862	0.7
242.02228	8.6
243.03024	41.4
244.03336	3.0
255.02957	3.3
257.04614	12.2
258.04871	0.8
270.01736	10.9
271.02536	45.2
272.02859	3.5
284.02985	1.4
285.04120	23.1
286.04797	7.3
299.02045	8.1
300.02823	13.3
301.03555	4.0
307.08319	11.6
308.08438	0.6
313.81213	0.5
314.04404	50.0
315.04984	11.0
323.07483	1.0
337.09332	5.1
357.05920	0.6
387.20297	2.7
447.08542	100.0
447.21661	3.1
448.08896	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	447.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.1
61.98721	0.3
62.96284	0.3
70.76380	0.3
70.76742	0.2
70.99821	0.1
71.01259	0.3
73.02857	0.1
78.95798	49.5
89.02384	0.2
89.96778	0.1
92.43964	0.1
92.53738	0.1
96.95947	0.7
96.96869	6.2
101.02342	0.2
113.02385	0.2
123.39460	0.1
150.97964	1.7
152.99533	100.0
153.99886	1.5
161.04523	0.2
171.00592	4.2
195.20569	0.1
196.68344	0.1
212.92564	0.1
225.14899	0.2
226.59854	0.1
275.20184	0.1
293.21301	0.5
311.22437	0.2
387.20261	0.4
447.13812	0.7
447.21631	14.9
448.21930	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	447.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88777	0.2
59.01268	6.3
61.98726	1.4
62.96290	0.2
68.82923	0.2
69.43243	0.8
69.43672	0.7
71.01266	0.6
71.89418	0.2
72.99211	0.3
78.95795	52.4
89.02345	0.3
96.95902	0.6
96.96864	6.8
97.02863	0.3
101.02332	0.3
111.77602	0.2
111.98947	0.2
113.02356	0.3
113.09615	0.3
115.00278	0.4
119.03451	0.2
146.01395	0.2
150.97937	1.6
152.99530	100.0
153.99876	1.8
161.04478	0.4
171.00595	4.6
171.62003	0.2
195.52373	0.2
211.13390	0.3
225.14966	0.4
261.11179	0.3
262.11942	0.8
285.04260	0.2
293.21365	1.0
323.05554	0.2
331.18817	1.1
360.69751	0.2
372.23337	0.2
387.20401	0.4
447.21591	12.7
448.21854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	13.7
61.98726	3.9
69.78086	1.0
69.78496	0.9
71.01276	1.5
78.95798	50.6
85.02837	0.6
89.02348	0.8
96.95911	0.7
96.96867	6.9
98.68742	0.3
101.02326	0.8
113.02338	0.6
121.02850	0.4
124.82353	0.3
136.01570	0.5
139.11520	0.3
150.97963	2.0
152.99532	100.0
153.99892	1.9
154.90746	0.3
161.04462	1.3
167.03773	0.3
171.00600	4.3
177.49927	0.3
179.05679	0.4
207.19821	0.3
211.13303	0.4
225.15002	0.5
293.21353	0.7
298.34103	0.3
387.20215	1.5
429.22345	0.4
430.93985	0.4
447.01956	0.5
447.08841	0.5
447.21530	15.2
448.21689	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	447.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.0
59.40400	0.6
63.02283	0.7
65.00201	1.5
70.92598	1.5
83.01273	1.6
107.01281	4.0
108.02079	1.6
109.02861	3.4
121.02866	3.5
135.00809	1.0
148.01567	1.7
149.02303	0.7
151.00307	16.4
152.00671	1.0
163.00317	4.8
164.01057	1.2
178.99828	9.4
183.04468	1.1
199.04030	1.2
211.04008	1.8
226.02773	1.2
227.03548	4.3
229.05043	1.5
240.04292	0.6
243.03061	7.9
244.03313	0.7
245.04573	2.4
254.02240	1.8
255.03043	24.7
256.03439	2.6
271.02530	46.2
272.02994	5.2
273.04053	2.1
283.02518	2.5
284.03210	2.2
299.01941	0.9
300.02817	88.8
301.03568	79.2
302.03918	7.5
447.09424	100.0
448.09671	15.3
468.20135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	22.9
60.01585	1.0
61.98721	0.9
65.00203	2.1
69.73083	4.3
71.01270	4.1
72.99183	1.2
73.02827	1.9
83.01292	2.2
85.02836	1.1
85.33022	0.8
85.84718	0.6
88.83350	0.7
89.02337	2.3
93.03361	3.8
95.01289	2.2
96.95897	0.7
101.02356	3.1
107.01278	1.6
108.02075	1.1
109.02866	2.0
110.00023	0.9
111.00777	1.8
113.02359	1.8
119.03427	1.1
121.02875	1.1
122.06033	4.5
123.00774	1.7
124.01605	1.7
125.02377	2.0
136.98677	1.3
137.02383	2.0
139.00276	1.2
145.02892	1.3
149.02428	0.7
150.03180	2.3
151.00316	9.0
152.01039	2.1
153.01889	1.4
157.06427	0.9
159.04430	1.1
161.02443	0.8
161.04546	2.5
163.00272	1.7
165.05499	2.4
165.99063	1.5
166.51672	0.6
171.04468	1.8
173.02487	1.3
173.05922	1.0
178.99843	3.4
179.05560	1.2
181.01428	0.9
183.04446	1.9
185.05875	0.6
187.03938	3.1
199.03938	3.3
200.04590	1.0
201.05602	1.3
211.03984	2.9
211.13382	1.9
215.03505	2.1
225.14986	1.3
226.02834	1.4
227.03485	10.6
228.04131	1.1
229.05038	2.0
239.03459	1.8
243.03018	12.1
244.03615	1.8
245.04593	1.2
252.25914	0.7
254.02257	1.5
255.03027	38.2
256.03519	3.3
257.04611	12.7
258.04889	0.8
261.66663	0.7
271.02533	38.0
272.03214	11.6
273.03961	3.3
281.06802	2.3
283.02533	8.2
284.03177	2.5
285.12555	4.2
299.01956	0.7
300.02802	46.4
301.03564	52.4
302.03995	4.5
387.20438	4.1
393.71561	0.8
429.08972	0.8
447.09415	100.0
448.09735	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	447.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.3
59.01266	32.4
60.01604	0.5
61.92961	0.2
61.98719	1.9
63.02274	0.3
63.22900	0.2
69.36739	0.5
69.37150	1.9
69.71812	0.2
71.01273	3.6
72.99216	0.6
73.02847	0.7
75.00752	0.3
83.01286	0.5
85.02860	0.8
87.00773	0.5
89.02336	3.1
90.02682	0.3
93.03380	0.6
94.32310	0.2
95.01309	0.4
96.95885	0.3
99.00816	0.3
101.02353	2.3
102.10367	0.2
107.01302	0.9
109.02895	0.3
109.56749	0.2
113.02357	1.5
117.03371	0.5
119.03404	1.4
121.02880	0.3
125.02386	0.4
133.02882	0.6
135.00800	0.3
135.04428	2.0
137.02403	0.3
139.03947	0.6
143.03442	0.7
145.02954	0.6
149.06021	0.4
151.00314	2.1
153.01846	0.6
159.04480	0.3
161.02414	1.9
161.04485	1.9
161.05716	0.4
163.00296	0.7
169.01431	0.4
174.03197	0.4
175.03983	0.4
177.05481	0.9
178.99774	0.2
179.03470	3.0
179.05539	1.1
183.04462	1.1
185.06088	0.3
187.03958	0.5
199.03954	0.2
209.11812	0.7
210.12154	1.1
211.04030	1.6
212.04831	0.3
213.05515	0.4
221.04539	1.4
227.03503	70.2
228.03847	5.5
229.05064	2.0
235.42578	0.3
239.03520	0.6
241.04956	0.6
243.02933	0.2
251.05603	1.3
255.03026	86.5
256.03589	12.1
257.04440	1.6
271.06058	0.3
281.06714	2.5
283.02347	0.4
284.03323	65.9
285.04022	27.5
286.04391	2.3
327.05109	1.0
341.08911	1.5
387.20261	2.6
447.09409	100.0
448.09732	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	447.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	9.2
61.98722	0.3
65.00211	0.5
65.49599	0.3
69.32346	2.2
72.99208	0.3
85.02826	0.4
89.02332	1.0
93.03358	0.7
96.97511	0.3
101.02315	0.4
101.34294	0.2
107.01299	0.9
108.70950	0.3
113.02331	0.4
118.82536	0.3
119.03395	0.3
125.02387	0.3
131.46611	0.3
133.02867	0.3
134.06433	0.2
135.04469	0.6
140.73999	0.3
151.00308	2.3
153.01913	0.7
159.04425	0.3
161.02383	0.9
161.04510	0.8
163.00352	0.8
174.03203	0.3
177.05486	0.3
178.99806	0.7
179.03464	1.1
179.05519	0.5
182.03670	0.4
183.04475	0.9
185.06070	0.4
187.04027	0.4
211.04079	1.4
221.04637	0.5
227.03514	70.9
228.03871	5.8
229.05055	2.1
239.03587	0.7
243.03062	0.4
255.03038	89.0
256.03592	12.3
257.04370	1.5
281.06622	0.7
284.03336	68.6
285.04025	30.8
286.04422	2.3
327.05124	0.9
341.08987	0.4
387.20331	1.0
447.09439	100.0
448.09781	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2972
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
54.95943	0.3
57.28213	0.4
59.01263	2.8
66.43737	0.5
71.01250	0.5
93.03349	0.4
121.02874	0.7
133.02890	17.8
134.03705	6.1
135.04465	6.2
137.02376	4.9
139.03976	1.7
150.03177	0.4
161.02405	32.6
162.02727	1.5
178.02663	1.2
179.03445	2.3
292.33664	0.4
445.29697	100.0
446.30045	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	446.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38623	0.7
57.03340	1.1
59.01267	71.1
69.43082	4.3
69.43491	1.6
71.01274	9.8
72.99188	1.2
73.02831	3.0
74.29478	0.7
83.01265	1.2
85.02852	3.3
89.02359	3.9
95.01292	0.9
99.00824	1.0
101.02342	7.8
107.35295	0.8
108.02055	1.2
109.02868	19.9
111.00789	1.5
113.02393	4.2
113.03062	0.8
119.03422	2.2
123.00821	1.3
123.04446	2.4
124.01599	1.3
151.03944	2.0
152.01108	12.4
153.01900	34.0
154.02252	1.5
161.04547	7.6
165.01857	0.9
167.03445	1.9
195.02985	52.3
196.03308	2.7
209.40059	0.8
213.99709	0.7
225.04027	1.4
225.11409	0.8
255.05161	100.0
256.05560	6.8
284.03433	1.4
285.04111	2.5
315.07315	14.7
316.07568	1.2
387.20383	14.4
447.09573	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	446.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	8.5
59.01268	41.0
61.98716	4.7
67.45524	1.0
71.01279	12.4
71.52526	1.1
71.52933	1.0
72.99209	6.5
73.02837	3.0
75.00766	58.5
76.01070	1.3
78.95820	1.1
83.01284	2.2
85.02853	11.3
87.00779	7.6
89.02338	13.8
97.02855	5.2
99.00792	2.4
101.02344	6.9
102.34315	1.0
107.04987	1.3
108.02020	1.4
113.02348	3.7
115.00272	3.0
117.01875	2.0
119.03436	1.7
119.87610	0.9
125.09673	5.3
128.11989	0.9
129.01868	65.9
130.02251	1.8
135.02927	100.0
136.03325	2.4
143.03497	1.4
145.02873	1.5
149.04489	1.7
161.04544	2.5
171.10158	1.4
175.02446	7.9
179.05647	1.1
179.07202	1.0
183.13901	4.1
187.09746	3.3
195.13867	1.8
209.11916	6.9
211.13399	77.6
213.11403	1.2
221.11832	1.6
225.15077	1.2
227.12967	2.1
239.12823	2.5
249.11429	1.8
253.09296	9.5
267.12500	5.1
271.02664	3.4
279.12582	1.9
299.01929	4.1
314.04431	3.8
315.05200	3.1
315.18033	1.5
374.13412	1.3
387.20285	4.5
419.15805	5.9
447.09409	6.3
447.22418	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	446.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34828	0.3
59.01267	8.3
59.63558	0.3
61.98720	100.0
69.56050	2.3
71.01295	0.7
76.38615	0.3
78.95802	4.3
89.02357	0.6
96.95935	0.9
96.96898	0.6
98.20436	0.7
101.02334	0.4
113.02325	0.4
113.58948	0.3
130.77719	0.3
137.02379	0.5
152.99539	6.5
153.99831	0.6
187.91270	0.3
197.19896	0.4
218.70088	0.3
223.13425	0.9
223.64404	0.3
224.56587	0.4
249.14990	0.4
387.20447	0.7
447.13724	1.7
447.23151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.0
61.88271	0.3
61.98721	100.0
62.21224	0.3
62.96296	0.5
62.98433	0.3
71.01275	0.3
71.24083	0.5
78.95800	17.8
79.17515	0.3
88.71165	0.3
91.11829	0.3
96.80547	0.3
96.96846	1.9
101.02351	0.3
109.03810	0.3
113.96398	0.3
149.00047	8.3
152.99547	4.0
158.92516	0.8
161.04457	0.3
171.00615	0.3
179.01105	1.1
205.16019	0.6
270.62424	0.3
386.19980	0.3
387.20435	0.6
409.74411	0.3
417.12729	0.4
431.10483	1.1
446.21051	0.3
447.13565	49.7
450.32184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2244
Annotation	Atranone B
Peak:m/z	Relative Intensity
59.01268	8.6
61.82108	0.6
61.98716	1.8
67.01791	1.3
71.01277	2.7
74.54372	0.6
78.95794	1.4
80.91582	1.0
83.01287	1.4
87.00720	0.7
89.02359	1.4
95.01291	2.8
96.01039	0.6
96.95924	2.0
108.02085	4.0
109.02867	55.7
110.03184	1.1
111.00793	8.9
112.93412	0.7
113.02376	0.8
122.03654	0.7
123.00803	5.3
124.01591	9.9
137.02426	1.1
139.00287	1.8
145.02861	0.7
145.66446	0.7
151.00308	2.0
152.01111	14.9
153.01886	66.9
153.09209	1.5
154.02228	2.7
165.12846	1.2
186.54517	0.6
209.93481	0.6
211.13379	0.8
223.13402	1.0
247.20662	1.5
273.18784	0.7
291.19708	8.9
292.20267	1.1
298.87891	0.7
309.20789	19.9
310.21182	2.1
354.31299	0.6
383.22165	1.1
385.19040	0.7
391.10388	0.7
401.23401	2.7
427.21423	2.4
445.22415	100.0
446.22696	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	445.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04071	0.3
59.01269	100.0
60.01609	1.0
61.98726	0.5
62.13716	0.3
63.65888	0.3
69.72820	0.6
69.73225	1.8
71.01270	0.7
78.95800	5.5
84.03054	0.3
89.02347	0.8
96.95921	1.3
96.96888	1.1
100.44435	0.3
101.02370	0.4
105.09222	0.3
113.02382	0.4
121.02850	0.5
152.99541	4.7
154.89717	0.3
161.04468	0.3
163.11253	0.7
167.10764	0.4
249.22340	0.4
264.47131	0.3
293.21335	22.0
294.21640	2.3
311.22375	31.8
312.22687	3.9
375.65118	0.3
401.01401	0.3
445.03864	1.1
445.19980	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33442	0.3
57.03890	0.3
57.81967	0.3
59.01269	100.0
60.01605	1.2
61.98725	3.2
70.91680	0.9
71.01283	0.6
75.79401	0.3
78.09446	0.3
78.37943	0.3
78.95801	1.4
89.02350	0.9
91.03909	2.3
91.32241	0.3
96.95940	1.2
119.99552	0.3
121.02913	0.4
129.09219	0.4
137.02400	0.4
148.31966	0.3
152.99557	2.1
153.09167	0.4
161.04498	0.3
197.11911	0.8
211.13434	1.9
218.07672	0.3
227.49983	0.3
293.21420	1.0
298.96014	0.3
311.22372	13.5
312.22852	1.1
385.18820	0.6
445.22437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	4.3
61.98709	1.2
65.06660	0.3
65.08152	0.3
68.99147	0.3
71.01279	0.7
71.53825	0.5
78.95796	53.6
85.02850	0.4
89.02346	0.5
96.95947	1.6
96.96867	5.5
101.02359	0.4
108.70135	0.3
113.02358	0.4
121.02892	0.4
137.02348	0.4
150.97960	1.4
152.99541	100.0
153.09177	0.7
153.99907	1.7
167.57950	0.3
171.00598	5.5
209.11975	0.5
209.19870	0.3
291.19897	0.9
306.85226	0.3
445.20062	9.8
445.26068	0.6
446.20300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03340	0.5
58.00488	1.3
59.01268	100.0
60.01601	1.1
61.98715	3.0
67.09959	0.3
70.68165	0.3
71.01273	24.3
71.29170	0.6
72.01627	0.3
72.99204	1.4
73.02847	1.7
83.01287	0.9
85.02847	4.7
87.00777	1.2
89.02343	32.5
90.02679	0.7
95.01294	1.7
96.95955	0.5
97.02845	0.7
99.00787	0.5
101.02348	13.1
102.02729	0.3
113.02361	10.1
113.90424	0.3
118.91252	0.3
119.03424	12.4
120.03837	0.4
121.22291	0.2
123.00754	0.3
123.08095	0.4
125.02403	0.5
125.98405	0.3
131.03462	1.9
133.17415	0.3
136.05281	0.5
138.01915	0.4
138.06816	1.6
139.07613	0.6
143.03435	3.4
149.04503	1.1
151.07623	1.6
152.08401	3.5
153.09169	9.4
154.09578	0.6
159.03004	0.9
161.04517	8.8
162.04802	0.3
168.04291	0.6
179.05582	17.3
180.05916	0.7
183.06610	0.5
199.56551	0.3
205.12306	3.9
205.14044	0.3
209.11938	0.5
221.06644	0.4
223.13405	4.1
224.13725	0.6
240.03093	0.3
385.18793	7.7
386.19278	1.3
445.21228	0.8
454.75995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
57.03342	1.8
58.00488	0.9
59.01269	100.0
60.01608	1.3
61.98721	0.5
71.01276	21.0
71.23546	0.4
71.23906	0.2
72.01614	0.3
72.99203	2.1
73.02845	2.8
75.00768	0.5
81.03366	0.4
82.68894	0.2
83.01278	2.1
83.04934	0.6
85.02846	5.1
85.03356	0.3
85.06499	0.3
87.00786	1.2
89.02345	21.3
90.02687	0.5
93.03357	0.2
95.01292	1.5
96.39615	0.2
96.95956	0.2
97.02869	0.5
97.06513	0.6
97.09812	0.2
98.03652	0.4
99.00782	1.1
101.02354	19.8
102.02705	0.5
108.02105	0.7
109.02873	1.1
109.06528	0.2
111.00798	0.3
113.02367	8.3
113.06008	0.5
114.02694	0.3
119.03426	13.2
120.03812	0.2
121.02955	0.2
121.06549	0.5
123.00838	0.3
124.01624	0.3
125.02421	0.6
129.01881	0.4
131.03404	0.9
135.08075	0.4
137.09639	0.9
143.03459	2.3
149.04547	0.8
149.06136	0.2
151.07617	0.5
152.01083	0.2
153.01886	2.0
153.09183	0.7
159.02962	1.4
161.04514	11.0
162.04987	0.3
163.07668	0.3
163.11218	0.9
165.09167	1.6
179.05582	10.4
179.10864	0.5
180.05992	0.4
187.11279	0.3
195.03040	0.6
195.06778	0.2
197.04604	0.3
203.10767	0.2
205.12410	1.7
209.11844	0.5
211.06049	0.5
223.13411	13.2
224.13821	0.9
229.12386	0.5
229.62576	0.2
233.11856	0.3
235.13399	1.7
237.14986	1.5
247.13423	1.3
248.13846	0.2
255.05217	0.5
261.14908	0.2
265.11664	0.4
265.14502	4.6
265.17236	0.3
266.15048	0.5
283.12207	0.2
307.15750	0.5
315.07312	1.7
339.25751	0.2
357.26715	0.4
370.66837	0.2
377.96133	0.2
385.19046	0.5
401.25427	0.3
445.14548	0.4
445.20718	2.5
446.21140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95221	0.5
59.01266	7.8
70.61978	0.7
71.01266	4.2
74.02336	0.7
75.00768	77.7
75.95175	0.7
76.01108	1.1
78.95795	1.8
83.01272	0.9
85.02853	1.6
87.00768	0.8
87.13720	0.8
89.02322	5.8
89.95235	0.6
94.17106	0.6
96.95902	2.5
96.96872	3.0
97.59349	0.6
101.02338	2.0
103.00279	100.0
104.00607	1.4
104.03451	2.6
109.02827	0.7
110.02397	3.1
111.00811	1.6
113.02368	1.3
118.95570	0.6
119.03447	2.1
119.04938	0.6
123.04430	0.7
135.02895	1.9
135.04460	1.0
149.04500	0.9
151.02591	0.6
169.62747	0.6
179.05576	2.9
181.09805	0.9
191.05560	3.1
198.91412	0.6
214.02762	1.7
223.11978	2.6
240.03162	0.8
242.02240	2.3
257.04535	5.4
267.11154	2.0
268.02649	0.8
283.04898	1.1
329.11249	1.1
341.11002	9.6
342.11514	1.0
347.12039	3.3
348.12885	1.3
446.11035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48851	0.1
57.03328	0.3
59.01266	1.6
59.13689	0.1
60.77167	0.1
61.98721	0.3
62.96294	0.2
69.19770	1.3
71.01266	0.4
73.02837	0.2
78.95795	53.4
83.01281	0.2
89.02319	0.3
96.95937	0.3
96.96864	6.6
101.02332	0.3
116.03268	0.1
121.02982	0.2
125.09657	1.4
128.34109	0.1
144.67258	0.1
150.97975	1.8
152.99530	100.0
153.09105	0.2
153.99899	1.7
165.12799	0.6
171.00601	5.1
171.20267	0.2
185.11821	1.3
209.11794	0.6
227.12872	1.4
235.08147	0.2
246.11223	0.1
247.20778	0.2
273.18674	0.2
291.19644	0.8
335.29260	0.2
401.29257	0.2
445.20142	12.5
446.20596	1.8
450.07642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2815
Annotation	Sesterstatin 7
Peak:m/z	Relative Intensity
55.01773	2.3
57.03341	4.8
59.01266	57.5
60.01606	0.5
61.98721	1.1
62.04348	0.3
62.26183	0.4
65.03856	2.8
67.01785	2.1
69.84715	2.5
71.01260	0.4
78.95794	0.9
83.04915	0.4
85.69774	0.4
93.03351	0.4
95.01295	3.3
95.04935	1.7
97.02884	1.2
108.02097	1.0
109.02862	5.0
111.04430	0.6
123.04486	0.6
134.64323	0.3
135.04500	0.5
136.05211	2.1
137.02383	6.0
137.06030	0.8
138.95062	0.4
149.06030	1.3
151.62381	0.4
152.99547	0.6
181.23058	0.4
193.25879	0.4
209.11781	0.7
225.24872	0.4
246.51041	0.4
247.20738	0.4
291.19785	1.0
309.20770	1.9
333.24469	1.2
341.24936	9.2
342.25217	1.0
347.26059	1.3
355.26428	0.6
355.30203	0.5
357.24524	3.0
357.28201	3.6
358.24783	0.4
373.27734	0.6
381.28195	1.4
382.28595	0.4
383.26004	6.2
384.26404	0.8
385.23953	22.7
386.24304	3.7
397.27689	0.5
399.29190	8.9
400.29507	2.0
401.27167	3.3
402.27158	0.7
425.27090	6.8
426.27414	1.5
443.28137	100.0
444.28491	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	444.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05103	0.3
57.59835	0.3
59.01267	12.3
69.55298	2.3
71.01270	3.2
73.02824	0.4
78.31567	0.3
82.53809	0.4
83.04880	0.5
85.02861	1.5
87.00774	0.5
89.02338	1.5
95.01316	0.3
99.00760	0.4
101.02338	2.0
113.02346	2.0
119.03433	0.7
122.24676	0.3
161.04498	1.6
165.01884	0.3
171.04460	3.2
173.05820	0.3
173.44537	0.3
179.05550	0.4
192.04514	1.5
193.05331	0.3
195.06606	0.5
199.04097	1.8
202.02519	0.4
208.04059	1.3
209.04576	0.6
209.11835	14.1
210.03290	0.4
210.05460	0.4
211.04054	1.4
214.02747	0.9
220.04100	0.9
221.04727	0.6
222.05573	0.8
222.12379	0.3
226.02739	2.2
227.03470	2.2
229.01450	1.5
230.02251	0.6
235.02773	0.5
236.03558	11.1
237.01990	1.1
237.04228	1.6
238.02707	1.2
238.04955	0.4
239.03488	1.0
248.03539	0.9
253.03795	0.5
253.09325	1.9
254.02113	0.5
255.03044	81.7
256.03375	7.0
264.03079	15.9
265.03848	26.3
265.08023	0.4
266.04626	28.7
267.04852	2.1
269.04572	2.8
280.02560	1.1
281.03375	0.7
282.04089	2.1
292.12546	0.3
368.05692	0.3
385.18823	1.7
417.08377	0.7
444.09470	100.0
445.09808	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	443.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53787	0.5
55.01762	2.2
57.03347	2.9
59.01266	100.0
60.01625	1.1
61.98727	1.0
63.99877	0.4
65.03851	1.7
66.84579	0.5
67.01785	2.2
69.94833	0.4
71.53426	0.6
78.95840	0.6
86.81245	0.5
95.01302	2.6
95.04950	0.8
97.02908	0.8
108.02092	0.9
109.02876	3.8
111.04438	0.6
113.75562	0.4
122.03646	0.6
136.05244	1.5
137.02374	4.2
138.03218	0.5
149.06044	1.1
152.01091	0.5
152.99532	0.8
189.01874	0.6
203.03598	1.6
209.11874	1.0
229.41510	0.5
249.93967	0.5
271.13654	0.7
291.19846	2.5
300.04745	0.5
301.21780	0.9
303.02066	0.5
309.20908	3.8
321.23727	0.5
333.24374	0.8
339.23071	0.5
341.24927	5.6
347.25903	0.9
357.24298	2.6
357.28134	2.1
381.27979	1.1
383.13104	1.1
383.26038	5.1
384.26392	0.6
385.23935	15.3
386.24481	2.4
397.27518	0.7
399.29239	6.0
400.29431	1.0
401.27084	2.2
425.27045	5.8
426.27536	1.1
443.21323	3.1
443.28110	75.0
444.28537	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	100.0
60.01602	0.9
60.88673	0.3
61.98731	0.5
71.01286	0.4
71.62077	0.5
75.07685	0.3
96.95937	0.8
97.02863	0.3
109.06550	0.3
111.66473	0.3
163.11267	0.7
165.12875	0.9
167.14536	0.3
179.14430	0.6
181.12479	0.4
193.15948	0.4
207.10336	0.8
211.13422	0.4
223.13417	0.5
223.42584	0.3
247.20792	1.6
260.84976	0.3
273.18814	0.6
280.47891	0.3
291.19736	25.9
292.20023	2.9
295.59375	0.3
309.20792	30.3
310.21069	3.4
392.28488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33524	0.3
59.01268	100.0
59.56192	0.3
60.01602	1.1
61.98718	0.9
67.48193	0.3
69.99513	1.6
70.65597	0.3
71.01276	0.3
78.95834	0.9
89.02362	0.3
90.11436	0.3
91.03899	1.9
96.95920	15.8
99.92525	1.0
110.44613	0.3
111.08067	1.6
111.45567	0.3
126.59975	0.3
152.99541	0.4
169.12172	0.3
185.67499	0.4
197.10081	0.2
197.11809	5.7
197.13495	0.4
198.12132	0.3
199.13423	0.5
207.10310	0.6
209.11975	0.5
211.13396	0.6
291.19733	3.8
297.57449	0.3
309.20786	8.7
309.24210	0.5
310.21176	1.2
336.69623	0.3
345.17139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74302	0.6
59.01269	100.0
60.01616	1.0
61.98733	3.0
66.74376	0.6
71.52942	0.9
78.95817	1.2
83.04985	0.8
89.02372	1.3
90.65662	0.6
91.03902	4.4
96.95921	18.9
96.96520	1.1
96.96871	0.8
111.08099	2.6
118.60030	0.6
119.47093	0.7
164.04393	0.6
173.98425	0.6
197.11848	6.5
199.09811	0.6
199.13263	0.6
211.13522	0.7
217.68178	0.7
218.94963	0.6
291.19791	6.6
309.20816	13.0
309.24237	0.7
309.85394	0.6
310.21292	2.1
318.48737	0.7
319.27695	0.8
330.56595	0.7
341.11069	0.8
369.06274	0.6
383.12000	1.1
408.13834	0.8
425.09619	0.8
443.24371	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	443.2086
Annotation	DEL-22379
Peak:m/z	Relative Intensity
59.00986	0.7
59.01268	6.5
61.98700	2.0
71.53206	1.2
75.69067	0.6
78.95787	2.2
96.95941	3.9
96.96861	0.7
108.02105	1.0
109.02886	1.8
115.16804	0.7
117.06958	0.6
121.02976	0.7
122.37862	0.8
132.14151	0.8
137.02333	0.8
146.03687	7.6
152.99512	2.6
159.04465	12.4
161.02408	3.8
162.03134	1.0
163.03900	1.2
173.02492	0.9
173.06050	2.1
174.03224	1.2
174.06808	1.4
175.03976	1.9
176.01144	2.1
181.73369	0.6
183.04547	0.8
187.03987	10.3
187.07625	1.8
188.04727	2.3
189.01912	22.8
189.03619	1.3
190.02585	4.3
194.60228	0.7
199.03929	0.8
201.05582	19.4
202.05923	0.9
203.01582	1.2
203.03494	20.7
204.03877	1.2
213.05554	1.0
215.07135	4.3
229.08795	1.4
231.02960	2.0
245.04572	0.8
245.08267	0.8
256.11124	5.9
257.11609	1.1
259.09799	1.9
271.13501	16.2
272.13907	1.7
273.11282	0.8
286.15652	0.8
289.14569	5.9
290.14816	0.8
291.19733	1.3
315.12537	1.0
330.14883	6.0
331.14856	0.8
332.12833	2.2
333.13531	3.0
341.10794	1.3
360.12289	1.1
373.13000	1.2
381.20770	5.8
382.21265	1.1
383.11572	0.7
399.22073	3.1
418.34949	0.8
425.19650	1.1
437.17322	0.8
443.20871	100.0
444.21164	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	443.2088
Annotation	DEL-22379
Peak:m/z	Relative Intensity
59.01281	4.0
61.98711	1.1
71.62720	0.9
78.23792	0.6
78.95792	1.4
89.02343	0.7
108.02090	0.7
109.02842	1.2
114.12283	0.6
115.05416	1.0
116.41302	0.6
121.02888	1.0
122.03667	4.2
123.00817	0.6
124.01622	0.7
130.04181	1.3
131.04942	0.9
136.01581	1.6
146.03671	4.9
148.01578	0.8
149.02364	1.6
149.09616	0.8
152.99551	1.3
158.03688	0.6
159.04478	4.1
160.05103	0.7
161.02412	1.7
173.02458	1.2
173.06097	0.7
174.03215	0.9
174.06802	1.1
175.03883	0.9
176.01118	2.1
184.76328	0.5
185.06006	0.8
187.03944	2.5
188.04784	1.6
189.01923	14.7
190.02696	6.1
201.05579	7.9
201.09302	0.5
203.03494	59.6
204.03809	3.2
205.01366	0.6
215.07172	1.3
217.05125	1.4
220.50729	0.5
227.03357	0.7
245.08037	1.4
245.15488	2.4
253.12376	0.8
259.09744	1.8
271.13470	22.3
272.13824	2.4
273.11407	1.6
287.12796	0.6
289.14539	6.9
315.12494	4.0
330.14767	0.6
332.12762	5.3
333.13474	5.9
334.13974	0.9
353.21393	0.6
381.20868	6.1
382.21048	0.8
399.21786	4.8
425.19794	2.0
443.20859	100.0
444.21158	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	443.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76492	0.3
57.03340	1.6
59.01265	2.7
69.37981	0.3
70.78342	0.7
70.78717	0.6
71.01283	0.3
75.01255	0.3
96.95915	0.5
97.06525	0.4
107.04982	0.4
108.02090	2.7
109.02851	1.3
112.32972	0.4
121.02866	0.6
121.06509	0.7
122.03662	8.1
123.00795	0.6
123.04452	1.0
124.01574	1.9
125.09600	0.5
127.07617	0.4
130.04146	0.7
131.04961	0.8
133.02888	1.0
134.03685	0.5
135.04451	6.9
136.01607	3.4
143.04907	0.4
145.02861	0.6
146.03703	1.7
147.04515	1.6
148.05228	5.1
149.05995	0.5
149.09724	0.4
152.01050	1.1
153.01866	0.4
158.03702	0.7
159.04485	3.1
160.04999	0.3
161.02417	1.6
161.06030	2.7
164.70439	0.4
172.05202	0.3
173.02406	1.3
173.06033	1.3
174.03159	1.9
175.04022	1.7
175.07706	0.3
176.08348	1.0
177.01927	2.5
178.99869	0.4
185.06013	1.7
186.06808	1.3
187.03960	2.4
187.07568	0.8
188.04695	1.2
189.01900	9.6
189.05544	1.1
190.02710	11.1
191.03098	0.6
195.72623	0.3
196.05296	0.3
199.03925	0.4
201.05586	0.9
201.09085	0.4
202.02594	0.3
203.03505	4.6
204.04105	0.6
208.82002	0.3
209.06003	0.4
211.04126	0.3
211.07629	0.5
213.05583	1.0
215.07175	0.4
217.12349	3.7
218.02136	0.4
218.05821	1.4
218.12624	0.5
225.09320	0.7
226.09758	0.3
227.07190	0.4
229.12372	2.5
231.03047	1.4
241.08780	0.4
243.06686	0.5
243.10262	2.3
244.10999	0.4
245.15549	1.8
253.12419	0.5
254.13052	0.3
255.10303	2.0
256.11066	1.0
257.11920	0.3
258.12677	12.5
259.13208	2.4
261.11346	0.8
265.12338	0.8
269.11984	1.2
271.10706	0.6
271.13461	5.0
272.13663	0.6
273.11435	1.1
284.10623	0.4
285.05841	1.4
287.09372	0.7
289.14545	13.8
290.14871	1.8
291.12396	0.8
291.19736	0.5
300.10089	6.3
301.10440	0.9
305.10373	0.5
315.12396	1.1
320.64124	0.3
333.13541	1.2
355.22961	2.8
363.19870	1.9
381.20755	4.4
382.21313	0.5
399.21878	10.9
400.22226	1.8
425.19922	2.1
443.20850	100.0
444.21194	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	443.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.5
58.39916	0.4
59.01273	3.1
61.98709	0.7
68.80056	0.4
71.53651	0.5
79.63461	0.3
84.67194	0.3
93.03348	0.4
96.95920	1.1
108.02057	2.3
109.02859	1.6
111.00799	0.5
120.40437	0.3
121.02872	0.4
122.03625	0.5
124.01641	0.5
125.09713	0.4
130.04190	0.6
133.02853	0.9
146.03687	10.1
147.04420	1.4
148.05226	1.4
152.01071	0.9
157.96375	0.5
159.04457	8.2
160.05145	1.1
161.02397	1.2
161.06104	2.1
162.03171	0.6
163.03969	0.6
172.05272	1.5
173.02438	0.9
173.06047	6.7
174.03229	1.2
174.06747	1.7
175.03967	1.5
175.07578	1.6
176.01088	0.5
177.01898	0.5
185.06055	1.0
185.59721	0.4
186.06708	0.5
187.04013	5.8
187.07614	3.0
188.04732	1.6
189.01912	8.8
189.05580	1.3
190.02713	11.6
191.03127	1.1
199.07712	0.6
201.05557	2.9
201.09203	1.0
202.02609	0.7
203.03436	2.4
210.06850	0.5
211.07616	0.8
213.05556	0.7
213.09271	0.6
214.10036	0.4
215.03372	0.5
215.07181	1.3
215.10782	0.9
218.02200	1.4
218.05751	0.5
225.09245	2.0
227.07170	0.7
227.10783	0.5
229.12399	2.0
231.03014	1.9
243.06691	0.8
243.10266	1.1
243.14059	0.7
245.02580	0.7
255.10307	1.5
256.11072	4.4
257.11661	1.0
258.12689	6.0
259.13126	0.8
261.11215	0.5
269.11774	0.7
270.12537	0.6
271.13474	11.7
272.13748	1.0
273.11398	1.2
283.09778	0.4
287.12994	0.5
288.13809	0.5
289.14523	5.2
290.14975	0.5
291.19788	0.8
294.12534	0.5
300.10107	6.3
301.10580	0.7
309.20853	1.2
315.12561	2.3
333.13507	5.7
363.19888	3.6
364.20270	0.6
381.20792	8.7
382.21204	1.3
383.12860	0.9
399.21759	5.2
400.22220	0.9
425.19815	2.8
437.11569	0.4
443.20853	100.0
444.21164	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	443.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01278	2.1
60.58699	0.2
61.98708	0.7
62.01311	0.3
63.16776	0.3
71.01286	1.6
71.59782	0.4
72.99195	0.3
73.02853	0.3
81.03368	0.3
89.02377	0.3
93.03350	0.3
95.01292	0.5
96.95951	0.3
97.02868	1.2
101.02339	0.8
107.01320	0.4
108.02083	0.9
109.02868	39.1
110.03202	1.1
113.02327	0.6
123.00803	0.9
124.01585	0.9
125.02275	0.4
133.01614	0.4
134.02414	11.7
134.06033	0.4
135.00861	0.5
135.02773	0.6
136.07620	3.1
137.02394	0.6
146.06068	12.7
147.06389	0.4
153.01886	1.9
160.07681	0.4
162.05571	21.8
162.09175	0.7
163.05893	1.3
178.08739	0.4
190.08698	0.7
208.13297	0.4
210.09215	0.8
213.53439	0.3
215.65692	0.3
226.08791	1.1
239.05934	0.7
253.07361	1.7
254.08269	100.0
255.08601	9.2
256.09711	0.3
272.09393	1.5
281.09396	24.7
281.14252	0.9
281.17291	1.4
282.09607	2.3
296.09402	0.5
305.17322	0.3
393.36465	0.3
408.48877	0.3
416.13617	13.2
417.13736	1.6
443.14682	56.7
444.14987	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1934
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01766	1.4
57.03332	1.6
58.00481	1.3
59.01266	26.4
70.85590	2.5
71.01273	23.0
71.36027	0.6
72.01586	0.7
72.99215	1.9
73.02832	3.6
83.01270	3.4
83.04915	1.2
85.02850	8.8
87.00770	1.5
89.02339	14.1
95.01278	2.1
96.95913	1.0
99.00773	1.9
101.02354	18.3
113.02371	8.8
114.07986	0.7
119.03432	6.5
123.08154	0.8
154.51079	0.6
161.04510	1.4
189.12787	1.4
192.04527	0.6
236.00043	0.6
237.14917	1.5
281.14029	1.4
425.98727	0.8
433.85928	0.8
443.19345	100.0
444.19693	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	441.2656
Annotation	Stypotriolaldehyde
Peak:m/z	Relative Intensity
55.01778	1.9
57.03347	4.4
58.41900	0.3
59.01271	3.4
61.98728	2.4
62.70234	0.4
65.03863	1.6
66.45818	0.3
67.01776	2.8
69.03341	0.9
71.01299	0.3
71.52262	0.5
78.95820	0.3
81.03340	0.5
83.04926	0.4
83.24728	0.3
93.03352	1.1
95.01302	4.9
95.04945	2.8
97.02861	3.7
101.02319	0.4
108.02085	8.2
109.02873	8.6
109.06526	0.5
111.04440	0.9
121.02860	0.7
122.03682	1.0
123.04462	0.7
129.01888	0.5
134.03650	1.4
135.04466	2.2
136.05270	2.1
137.02385	6.2
137.06026	0.4
139.03932	1.0
149.06030	3.0
151.03954	0.4
159.04549	0.4
162.06818	1.6
163.07655	0.6
165.91495	0.3
168.04321	0.4
193.70357	0.3
198.05231	0.3
209.40013	0.3
217.00327	0.8
258.38678	0.3
273.18607	0.9
287.20233	0.5
289.21780	2.2
290.22052	0.6
301.21756	1.6
307.19220	0.4
313.21790	0.4
331.22794	0.7
337.21780	0.4
339.23346	5.9
340.23822	0.8
345.24380	1.5
353.24765	0.7
355.22818	2.3
355.26624	2.3
379.26572	1.1
381.24445	3.1
383.22375	16.7
384.22641	2.4
397.20374	1.0
397.27655	4.7
398.27939	0.8
399.25583	2.2
405.24680	0.4
423.25546	5.8
424.26083	0.4
441.26572	100.0
442.26898	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	441.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
57.03333	3.6
59.01266	100.0
61.98713	2.3
67.01763	1.8
69.83974	4.5
81.03378	1.5
91.93039	0.9
95.01291	1.8
95.04953	1.5
96.95921	1.1
98.20546	1.3
109.02882	3.1
123.04440	1.8
136.05219	2.0
137.02385	3.2
137.05997	1.9
149.05994	2.0
157.88075	0.9
158.51375	0.9
209.11775	1.5
245.19191	0.8
289.18143	2.3
307.19299	5.7
339.23438	3.8
340.23694	1.2
355.22754	2.1
355.26721	1.3
359.01373	0.8
379.26205	1.4
381.24243	2.7
383.22379	10.7
384.22787	1.9
397.27612	4.9
399.25357	2.0
423.25690	4.0
441.26590	50.8
442.26974	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	441.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48802	1.4
55.78647	1.6
57.03337	4.0
58.00476	3.5
59.01265	9.9
61.98715	4.2
69.43573	1.6
71.01288	8.6
74.17019	1.4
78.95789	3.0
83.04942	2.4
83.48020	1.6
85.02847	3.0
87.00783	21.2
88.43628	1.6
96.95911	2.7
96.96873	3.9
99.62756	1.6
101.02335	3.3
109.06510	2.1
111.00784	7.8
111.08072	2.8
115.00263	3.5
127.07573	22.5
141.09128	2.5
147.02943	7.6
148.05225	1.3
165.12802	17.0
179.14320	1.7
181.12334	1.8
183.13898	3.5
209.11794	7.1
211.13310	2.6
213.14944	16.0
223.13382	5.6
225.14856	2.7
227.12910	4.3
235.13454	2.8
241.14487	48.5
242.14908	3.3
253.14551	14.3
259.13437	12.3
271.20929	1.9
277.14536	21.2
278.14828	2.2
289.21780	1.8
293.21313	100.0
294.21658	11.1
296.37057	1.7
307.19244	3.5
313.16702	2.2
315.19574	2.9
325.20251	3.3
333.20859	27.1
334.21051	3.9
345.20779	5.6
351.21747	5.7
369.20825	2.0
375.22076	2.2
399.01639	1.6
405.22894	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2657
Annotation	Chabrolohydroxybenzoquinone C
Peak:m/z	Relative Intensity
55.01779	1.8
57.03339	4.1
59.00993	0.4
59.01268	6.0
65.03857	2.8
67.01777	2.6
68.01755	0.2
69.03349	0.2
71.44711	0.4
81.03349	0.8
83.04916	0.5
93.03355	0.4
95.01284	2.8
95.04926	1.6
97.02875	0.8
97.06510	0.3
107.04949	0.3
108.02070	1.2
109.02869	6.6
109.06518	0.4
111.04449	0.7
121.02903	0.5
121.06458	0.2
122.03690	0.5
123.04433	1.3
135.04471	0.4
136.05258	1.8
137.02380	4.9
137.06024	1.7
138.03139	0.3
138.06337	0.3
139.03888	0.3
142.02652	0.3
147.04457	0.7
147.72285	0.3
149.06053	3.0
156.04324	0.3
161.06023	0.7
162.06831	0.4
163.07594	1.0
170.02141	0.5
177.07344	0.2
177.09210	0.3
179.07109	0.9
192.48286	0.2
205.12347	0.3
219.13821	0.3
245.15527	0.3
261.18726	0.5
263.97711	0.2
273.18805	1.0
275.20303	0.4
279.78009	0.3
283.20587	0.4
285.18744	0.4
287.20313	0.7
289.18008	0.2
297.18741	0.3
299.20276	0.8
301.21887	0.7
307.19467	0.3
313.21841	0.7
317.17734	0.4
321.16180	0.3
327.19724	0.3
329.21271	0.3
331.22964	0.9
339.23337	8.6
340.23697	1.3
341.21292	0.4
345.24509	1.3
355.22772	3.0
355.26663	2.2
356.23080	0.4
365.21353	1.1
369.28033	0.4
371.26117	0.4
379.26642	1.2
381.24463	3.3
382.24774	0.5
383.22385	17.0
384.22684	2.8
397.27582	7.0
398.27954	1.0
399.25549	3.5
400.26245	0.4
413.27509	0.3
423.25528	7.4
424.25800	1.1
441.26584	100.0
442.26932	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	441.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55435	1.1
59.01263	5.1
61.98720	4.1
69.03335	1.3
71.01273	49.8
71.04916	1.9
72.99203	9.9
78.95778	1.6
81.03353	1.4
83.04933	3.6
84.02074	1.8
87.00769	1.3
88.98712	3.7
92.04314	1.3
95.04896	1.6
96.95940	1.7
97.06528	2.1
99.08058	2.3
112.05212	1.5
115.00292	14.6
123.04471	1.4
125.09660	4.2
127.07568	11.0
133.01367	14.5
135.08063	1.8
137.09663	1.8
139.07602	2.4
153.09146	10.6
155.10817	2.2
163.11256	2.9
165.12791	2.7
171.10240	14.0
178.09984	1.9
185.11821	11.1
191.14352	1.5
197.11801	11.3
209.11821	55.4
210.12090	3.7
213.14899	2.1
229.57060	1.2
233.11687	1.8
236.10658	2.0
238.12134	5.4
241.14470	2.9
245.19130	3.1
263.20026	1.5
279.19620	2.3
289.18250	10.5
293.21262	8.6
307.19229	96.3
308.19647	9.9
325.20288	100.0
326.20630	13.0
333.20764	2.0
351.21622	1.8
415.78458	1.5
423.20422	5.6
441.21359	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	441.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01610	1.1
61.98712	0.6
69.77057	1.8
71.01289	0.3
81.03370	0.5
83.85109	0.3
98.19751	0.3
123.04466	1.5
128.23775	0.3
152.08463	0.3
169.12263	0.3
171.10303	0.4
188.15500	0.3
191.14613	0.3
209.11839	0.4
245.19159	0.4
272.70282	0.3
274.15967	0.3
289.18201	3.0
290.18579	0.4
307.19269	2.9
308.19727	0.4
441.26285	0.3
459.68353	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.7
57.03330	1.6
59.01269	45.1
62.95557	0.9
70.53943	3.1
71.01270	25.3
72.99195	1.2
73.02844	15.5
83.01276	9.8
84.70217	0.8
85.02843	15.8
87.00773	1.3
89.02354	3.3
95.01295	1.7
99.00756	5.5
101.02352	40.1
113.02355	12.9
125.02354	1.5
143.03496	1.6
143.07210	1.0
158.75211	0.9
159.02937	2.3
159.31668	0.8
161.04518	10.1
163.35603	1.1
164.86038	0.9
178.11897	0.8
178.56566	0.9
229.07405	1.1
235.11896	70.6
236.12242	4.1
239.32431	0.9
262.55493	1.0
286.84793	1.0
312.57285	1.0
326.75232	0.9
381.17749	100.0
382.18106	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	441.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.3
58.00483	1.6
59.01267	5.9
61.98738	1.9
62.06586	0.7
71.01272	27.3
71.04895	1.5
71.59563	1.1
72.99192	2.5
73.02844	1.4
76.27289	0.7
78.95771	0.9
80.02527	0.9
81.03355	1.0
83.04906	4.4
84.02050	1.9
85.02853	1.1
87.00776	7.2
89.02330	1.1
93.03368	0.9
95.04925	1.6
96.95935	1.4
96.96889	1.3
97.06487	2.2
99.04406	1.7
99.08056	2.8
109.06512	1.5
111.08035	2.7
112.05249	0.9
115.00284	2.5
115.07561	1.9
121.08084	0.8
123.08069	1.8
125.06013	1.3
125.09635	4.1
127.07569	16.8
128.07898	1.2
133.01357	3.0
135.08080	1.2
137.09631	1.7
139.07594	2.9
141.09125	2.6
147.02954	2.3
153.09148	10.3
155.10748	1.9
163.11284	4.6
165.11548	1.0
165.12814	12.9
171.10233	9.9
178.09953	3.5
179.10776	0.9
181.12300	2.1
181.78682	0.7
183.13878	1.7
185.11801	12.3
191.10692	1.1
191.14397	2.6
195.13965	1.0
197.11832	13.1
197.15350	1.0
198.12109	1.1
207.10226	1.4
209.11826	58.9
210.12149	4.3
213.14900	4.8
221.11855	0.9
221.41528	0.8
223.13431	1.8
225.64037	0.9
227.12897	3.5
234.32390	0.7
235.13451	1.1
238.12180	5.4
239.16565	0.8
241.14473	14.3
245.19101	3.1
253.14487	5.0
253.18205	0.9
255.12207	0.8
256.13147	2.2
259.13431	4.7
263.19940	1.2
277.14505	6.0
279.19736	2.4
289.18127	10.4
293.21307	35.6
294.21539	3.2
304.19708	0.8
307.19217	98.0
308.19595	9.9
315.19666	1.7
325.20267	100.0
326.20499	10.1
326.23935	0.9
333.20822	13.1
345.20776	3.0
351.21844	3.3
387.22025	1.4
405.23056	1.2
417.07727	0.8
441.22192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.6
61.98723	0.5
71.01273	2.3
71.54097	0.7
71.54477	0.8
73.02843	0.6
79.95628	28.6
80.96426	0.9
85.02849	0.7
87.00795	0.7
89.02371	1.0
95.94508	0.8
95.95132	20.5
96.95916	81.4
101.02385	1.1
109.02891	1.1
110.97491	6.9
113.02450	0.7
122.03741	0.7
123.04408	0.5
135.04460	0.7
136.99081	4.3
141.95732	1.2
147.04474	0.6
154.59238	0.5
161.02423	0.8
165.01843	0.6
165.05528	1.2
167.00157	39.3
168.00482	0.9
179.03445	0.9
179.07118	0.9
190.02689	0.9
193.05037	1.4
205.04979	0.8
230.10306	0.5
240.02954	0.6
243.06625	1.2
245.01262	0.6
259.02896	0.8
273.04510	1.5
279.12366	0.5
284.32407	0.6
287.06122	1.1
303.05606	1.8
325.05457	0.5
353.23343	1.3
361.16702	1.6
395.08209	0.9
405.11200	0.7
405.21152	0.5
426.10110	3.6
441.12347	100.0
442.12628	11.2
442.18613	1.0
462.85608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1909
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
53.93373	3.7
59.01254	6.0
70.12441	3.8
70.39219	12.7
71.34426	3.2
74.32067	3.4
78.99950	3.6
87.00809	3.8
96.95916	8.6
98.19859	4.0
101.02348	7.4
105.19794	3.7
109.02844	4.0
120.47440	3.4
169.84236	3.6
199.40730	3.3
199.53291	4.1
441.19061	100.0
442.13748	4.9
442.19427	13.0
452.12775	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	441.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.9
57.03335	1.0
59.01267	39.9
60.01596	0.5
61.66404	0.5
68.03099	0.5
69.03349	0.7
70.48903	2.1
71.01270	21.0
72.99174	0.8
73.02834	10.0
82.96295	0.5
83.01277	7.0
83.12940	0.5
85.02848	10.8
87.00739	1.3
89.02347	3.5
95.01276	1.3
99.00764	3.2
101.02350	27.0
102.02692	0.7
113.01604	0.9
113.02364	9.7
114.02769	0.5
114.26337	0.5
114.77151	0.5
119.03412	1.0
125.02354	1.0
129.01801	0.6
143.03384	1.1
150.66632	0.5
159.02890	2.2
161.04517	8.4
163.05940	0.6
176.03357	0.6
207.03070	0.7
229.07224	0.8
235.11893	59.2
236.12222	3.9
279.11130	0.6
280.08176	0.5
285.28220	0.5
381.17746	100.0
382.18112	11.5
382.22723	1.1
441.19083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2865
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
59.01253	0.4
60.27914	0.2
61.31673	0.2
69.61041	1.4
69.61447	0.5
70.56210	0.2
80.96358	0.2
81.03357	2.1
83.01281	0.5
83.04917	0.5
94.85797	0.2
96.95923	0.5
98.19801	0.4
108.02100	0.3
108.77222	0.2
121.13421	0.2
122.03664	3.9
123.00718	0.3
123.04402	0.7
125.02337	0.4
135.04454	3.4
136.05222	0.4
137.02339	0.6
149.06023	1.1
163.07581	0.2
177.09186	0.3
191.10823	0.4
313.25742	0.2
327.23267	1.1
353.24942	0.3
353.28607	2.0
354.29099	0.3
355.26590	0.4
369.28079	5.9
370.28308	0.8
379.26804	2.0
380.26703	0.2
393.28265	0.4
395.29657	9.7
396.29953	1.5
397.27533	4.8
398.27713	0.8
421.27542	0.4
439.28641	100.0
440.28986	17.6
452.02213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0839
Annotation	Catechin 4'-O-gallate
Peak:m/z	Relative Intensity
50.56210	1.0
54.86875	1.0
57.03344	6.2
59.01269	11.6
61.98710	1.7
69.28488	8.3
69.28899	3.0
69.36279	1.1
71.01273	1.3
75.00807	1.6
77.03876	1.0
78.95805	1.8
79.95648	2.9
81.03376	2.3
83.01283	4.8
86.30144	1.1
89.02341	2.0
90.04340	1.1
93.03365	1.4
95.04897	0.9
96.95920	3.1
97.02850	3.4
99.04424	1.3
109.02860	3.6
121.02882	2.8
123.00770	5.0
123.04443	1.4
124.01624	2.0
125.01461	2.0
125.02367	33.8
130.04124	1.1
133.02887	1.3
135.00816	4.3
137.02383	19.1
138.03143	1.3
139.03990	2.3
145.02893	1.3
146.03702	1.8
149.02435	2.4
150.03181	2.1
151.03963	1.4
151.07579	2.5
152.99442	1.9
153.01912	4.4
158.03777	1.3
159.04482	4.0
161.02359	1.4
161.04550	1.2
163.00305	1.9
164.01103	2.0
164.04692	1.6
165.01901	17.9
166.02621	1.5
167.03453	10.1
173.02455	2.1
174.03149	1.1
175.04015	2.6
176.04669	1.9
177.01936	5.3
178.02667	2.2
179.03360	1.4
182.03741	1.4
187.04004	15.5
188.04707	5.7
189.01878	2.1
189.05367	1.1
191.03468	2.7
193.01451	2.2
199.03979	2.2
201.01956	1.1
202.02687	3.0
203.03520	4.5
204.04201	2.5
205.01447	4.3
205.05075	2.6
206.02081	2.2
211.03999	2.3
212.04810	1.2
214.02693	2.6
215.03485	18.8
216.04283	7.8
217.05022	4.6
218.02242	2.7
219.02953	1.3
219.14041	6.1
220.03659	1.2
225.01999	1.8
225.05602	2.5
227.03569	3.6
229.05054	3.1
230.02255	1.2
231.02954	7.1
232.03700	2.8
233.04485	2.1
239.03595	1.4
242.02129	1.9
243.03017	22.5
243.06705	1.6
244.03508	2.3
245.04587	10.8
246.05222	1.6
247.04213	0.7
247.06136	42.8
248.06578	3.2
249.04042	55.3
250.04425	3.9
253.05042	1.1
255.03062	1.8
257.04556	7.3
259.06241	1.3
261.04102	1.7
263.05487	2.0
264.02750	1.3
265.05035	1.2
267.06680	1.3
269.04590	6.9
270.05463	3.6
271.02625	2.5
271.06326	1.6
273.04080	16.3
274.04700	1.9
275.05682	100.0
276.06027	8.6
277.05042	2.4
280.04181	1.3
280.25470	1.1
283.02646	2.0
283.06180	1.7
286.04965	5.4
287.05707	11.1
288.06079	1.4
291.06845	1.4
295.06256	2.6
297.03976	4.9
298.04919	4.0
301.07288	2.5
302.04459	1.3
303.05148	23.1
303.08615	1.7
304.05621	1.9
309.07916	1.3
312.06503	2.1
313.07330	5.7
315.05197	23.7
316.05576	2.0
316.09302	1.7
319.06357	1.7
321.07904	1.1
323.05759	1.4
327.08939	1.5
328.09662	1.7
331.11789	2.6
337.07269	13.2
339.05154	1.7
343.12183	2.2
345.10291	1.2
351.08627	1.7
355.08368	12.4
356.08496	1.7
361.07217	1.2
363.05450	1.2
365.06897	2.1
369.09991	2.3
377.06940	2.0
379.08371	10.8
381.06406	3.3
395.07974	5.7
397.09354	2.7
399.16705	1.6
405.06265	3.4
405.11841	3.1
409.05911	5.8
413.09012	4.0
423.07309	18.9
423.25812	1.2
424.07571	2.8
441.08502	36.7
441.17740	2.3
442.08896	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
57.03323	1.3
58.00465	2.6
58.20651	0.7
59.01268	43.0
65.20962	0.6
69.03333	0.9
70.15905	1.6
70.16296	2.2
71.01273	26.5
72.99192	2.7
73.02842	8.3
75.00759	6.2
83.01255	1.7
85.02851	7.7
89.02336	7.5
90.59323	0.7
95.01282	3.0
96.95913	1.7
97.06512	1.2
99.00784	1.1
101.02357	9.2
107.87122	0.8
108.22595	0.8
113.01616	1.2
113.02362	13.3
114.02741	0.7
119.03477	1.1
125.02361	0.8
125.05997	1.7
139.07562	1.4
147.02942	1.1
161.04514	1.2
206.30794	0.7
255.21346	0.9
257.22833	1.0
261.22183	0.9
263.23883	1.6
273.22345	6.1
277.21790	100.0
278.22107	12.6
284.32910	0.9
289.21750	1.1
291.23376	32.1
292.23715	3.4
301.21771	6.4
303.23495	1.7
319.22885	15.3
320.23212	2.3
331.22897	7.9
332.23157	1.8
349.23965	4.5
373.24149	1.1
439.24591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2499
Annotation	(7E,13Z,18R,20Z)-Felixinin
Peak:m/z	Relative Intensity
50.39738	0.4
55.01769	1.0
57.03318	0.6
59.01259	1.0
63.98709	0.4
65.03844	1.1
71.01299	0.6
71.55611	1.1
72.99230	0.4
73.06091	0.4
81.03348	1.3
88.98702	2.9
95.01273	0.8
95.04897	0.6
96.95913	1.0
96.96870	0.5
97.02888	0.6
102.90565	0.4
105.01857	0.8
108.02058	1.2
109.02869	5.5
119.68688	0.4
121.02867	1.1
122.03668	2.6
123.04496	2.5
135.04424	3.0
136.05217	1.8
137.02362	0.6
147.58537	0.4
149.06010	2.5
150.03172	0.6
151.03952	0.6
154.02733	0.6
163.03935	1.0
163.07581	0.8
177.05573	1.9
177.09219	0.5
178.06265	0.8
223.42879	0.5
261.18652	0.8
273.03488	0.4
287.20157	0.9
292.07190	0.4
301.22220	0.7
311.22562	0.6
322.55673	0.5
337.21741	0.6
339.23480	0.5
349.17688	0.6
353.24954	5.3
354.24954	0.6
367.18100	1.8
381.21167	0.5
383.22525	1.1
395.25961	3.4
396.26248	0.6
397.23929	17.2
398.24219	2.3
421.23779	0.6
439.25018	100.0
440.25317	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	438.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39585	0.2
55.69584	0.2
59.01264	1.0
60.48602	0.2
61.98720	0.7
71.42600	0.4
73.46069	0.2
75.00746	0.3
78.95780	0.5
82.02875	1.0
84.04458	0.3
85.89088	0.2
96.95914	0.8
96.96874	0.6
102.05529	0.7
128.03464	100.0
129.03094	0.3
129.03822	3.2
139.95583	0.2
146.04532	0.3
247.20554	0.3
281.21414	0.3
291.19708	1.9
309.20773	4.7
310.21231	0.7
341.23511	0.5
440.31616	0.3
460.25818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49984	0.2
70.35912	0.4
70.36305	0.5
78.95797	39.6
80.14440	0.2
96.95981	5.2
96.96867	100.0
109.52146	0.2
126.30391	0.2
156.08902	0.2
190.83113	0.2
191.36545	0.2
284.97806	0.2
306.35376	0.3
439.08612	2.9
440.08969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02520	0.1
53.97895	0.1
56.80164	0.2
58.03794	0.2
69.82214	0.7
69.82634	0.3
74.15743	0.1
78.95798	29.9
79.63963	0.2
94.23991	0.2
96.95982	3.9
96.96867	100.0
98.19985	0.3
107.32995	0.2
117.36973	0.2
123.37498	0.2
147.41232	0.2
161.63571	0.2
162.01862	0.2
219.42459	0.2
332.38300	0.2
439.08685	2.5
440.08835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41121	0.1
63.85765	0.1
69.44753	0.7
69.45168	0.4
76.83011	0.1
79.95626	7.8
95.95129	0.4
96.95915	100.0
97.95847	0.4
108.14664	0.1
110.97487	0.6
121.02885	0.5
130.60591	0.1
137.02373	0.7
147.04411	0.2
151.03963	0.3
180.07906	0.2
191.08707	0.1
191.93536	0.1
209.82831	0.1
240.04335	0.2
241.08604	0.2
269.08249	2.3
270.08572	0.4
271.09775	0.3
281.08179	0.3
299.09326	1.3
300.09787	0.4
314.11697	1.7
315.12241	0.4
329.13983	0.4
439.10785	30.6
440.11105	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	439.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58562	0.1
59.01275	0.5
61.98721	0.2
69.86337	0.5
71.01247	0.2
78.95815	0.1
79.95633	2.4
81.87112	0.1
95.96351	0.1
96.95918	100.0
97.95850	0.4
101.02352	0.1
110.97507	0.3
113.02440	0.1
162.01935	0.5
163.02335	0.1
169.01685	0.1
177.77406	0.1
188.60632	0.1
193.05061	0.6
197.76085	0.1
211.13445	0.2
229.03334	0.1
237.83630	0.1
269.08191	0.3
276.77863	0.1
299.09326	0.3
314.11725	0.3
329.13950	0.2
345.25095	0.1
370.35172	0.1
379.23209	0.1
439.10797	23.2
440.11050	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.7
59.94178	0.2
69.37583	1.6
71.01264	0.6
78.95788	0.2
79.95630	20.8
80.95560	0.2
81.74723	0.2
89.02346	0.3
93.03345	0.2
95.95149	0.6
96.95917	100.0
97.95855	0.4
98.20622	0.3
108.02061	0.5
109.02856	0.6
110.97491	2.5
113.02399	0.2
123.00829	0.3
123.04456	0.4
124.01570	0.6
125.02335	0.2
135.04414	0.3
136.99088	0.3
137.02367	0.3
137.97523	0.2
141.95723	2.3
151.00327	0.2
152.01091	1.1
167.00146	1.0
169.44055	0.2
173.06084	0.3
220.61688	0.2
270.09137	0.3
279.43433	0.2
283.03046	0.3
285.04495	0.7
313.11029	0.7
329.10550	0.7
341.05219	0.3
342.06094	0.6
344.12811	0.5
345.05731	0.2
358.84119	0.2
359.15097	0.6
393.06815	0.3
400.18329	0.2
424.08557	1.7
439.11029	53.7
440.11359	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	438.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	0.3
61.71978	0.1
61.98713	0.5
63.37398	0.1
69.28345	1.6
71.01261	0.2
72.47987	0.1
78.95788	0.2
82.02871	0.7
84.04447	0.3
88.98686	0.4
96.95927	0.4
100.03929	0.2
102.05515	2.7
112.98501	0.2
128.03465	100.0
129.03812	3.0
141.49763	0.1
146.04536	2.9
165.12692	0.1
180.49689	0.1
199.03996	0.3
226.97801	0.3
227.07234	0.3
247.20752	0.2
255.09238	0.2
278.11542	0.3
291.19644	0.8
292.20004	0.2
309.20792	4.3
310.21213	0.5
330.15976	0.2
342.14618	0.8
349.16281	0.2
367.17169	0.3
369.16083	0.3
379.12347	0.4
386.31955	0.1
411.21890	0.5
420.24091	0.3
438.23422	0.5
439.15302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68226	0.7
59.01266	18.3
60.01602	3.5
61.01683	3.6
61.98719	100.0
66.03362	0.9
69.52623	6.5
71.01267	2.8
78.64442	0.8
98.19872	1.3
101.02319	1.2
108.04460	3.3
117.83945	1.0
124.01595	1.0
152.03450	2.2
226.24522	0.9
274.11716	2.9
378.81204	0.9
390.22379	1.4
409.77490	0.8
410.27734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.4
59.01266	30.7
60.01601	5.0
61.01688	6.2
61.98719	100.0
62.02027	0.6
63.02310	0.3
64.32430	0.2
65.00218	1.5
67.29353	0.3
68.18164	0.3
71.01288	1.6
71.55648	0.5
73.01703	0.3
73.02841	0.3
75.00729	0.3
81.79852	0.2
82.11285	0.3
83.01279	0.9
85.02853	0.6
89.02360	0.4
95.01311	0.3
95.23758	0.3
101.02362	1.2
102.02686	0.3
107.01276	1.7
108.01597	0.6
109.02899	0.5
113.02359	0.6
119.87240	0.3
125.02370	1.8
126.02617	0.3
133.02885	0.4
137.02394	2.3
150.03165	0.5
151.00322	7.4
151.03963	10.8
152.00650	4.1
152.04288	6.7
153.01909	0.6
159.04498	0.3
161.04552	0.4
162.04855	0.4
165.01918	0.5
167.03462	0.4
187.04022	1.6
201.11531	0.4
215.03542	1.3
217.04929	0.4
219.03059	0.5
223.00980	0.3
227.03798	0.3
228.00711	0.5
229.05121	0.4
242.02423	0.4
243.03024	1.7
271.02551	1.8
272.92703	0.3
283.08411	0.7
284.08722	1.3
296.93735	0.3
303.05170	2.4
304.05533	5.9
305.05804	0.6
331.02939	0.7
349.04160	0.7
376.23547	1.3
377.28735	0.3
381.06546	0.3
408.07462	0.4
409.05981	0.3
426.39081	0.3
436.09631	4.1
436.19073	0.6
437.10315	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	46.4
61.44616	13.1
61.98727	15.6
68.71517	12.3
71.52622	16.4
71.53085	14.1
72.57151	13.8
78.95809	25.3
88.98741	16.2
90.16271	12.7
92.88221	13.0
96.95919	18.0
106.93821	12.5
113.24898	12.0
128.03462	100.0
163.55499	11.1
166.19875	12.0
184.04027	22.0
185.04543	22.8
201.11319	23.7
211.99771	15.2
234.04170	14.0
410.20544	49.6
437.22128	55.3
438.22272	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	438.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02866	3.7
59.01257	2.0
61.98718	1.0
71.01288	1.2
71.23479	0.7
78.95779	0.5
79.95664	0.4
83.01249	0.6
84.04431	0.9
89.02324	0.7
90.03370	0.7
93.03351	0.5
96.95910	2.7
108.02065	0.8
109.02865	10.4
110.02374	0.7
114.01865	0.5
116.05032	0.6
118.02906	6.9
119.04977	0.8
123.81241	0.4
125.02379	0.7
133.02881	7.8
134.02396	1.5
134.03400	0.4
135.04449	1.7
136.03947	1.5
143.10591	0.5
144.04491	39.6
145.04819	2.1
146.02419	15.2
147.03004	0.7
160.04012	3.6
162.01932	0.6
163.03929	0.8
171.05583	3.4
172.04007	8.8
174.54086	0.5
178.05032	4.6
188.03471	1.3
189.06676	6.5
190.06873	0.7
194.05991	2.4
196.07701	1.3
203.08191	0.5
204.03008	1.3
207.06790	0.9
208.07677	5.3
210.05490	0.6
213.06689	5.5
214.07068	0.5
218.06134	6.1
219.06474	0.7
220.07666	1.4
221.07344	0.8
222.05685	0.7
224.07033	0.9
231.07782	5.0
234.05629	0.9
235.06425	0.8
236.07193	7.7
238.05122	2.1
243.85379	0.5
246.05652	7.2
247.06386	5.2
248.06956	0.7
249.04338	5.2
250.04796	0.9
251.05801	1.3
252.06694	6.7
253.07088	0.5
254.08237	0.8
262.05124	4.3
262.07547	0.9
263.05927	5.0
263.08328	0.8
264.06708	100.0
265.07037	10.0
277.14404	0.5
279.07840	0.6
281.09433	0.7
291.07877	9.2
291.10947	0.3
292.08145	1.0
305.09372	1.6
307.07288	1.4
323.06863	0.9
323.10437	11.9
324.10840	1.4
335.06836	1.6
350.11273	0.4
367.09457	4.6
368.09540	0.7
394.10492	10.9
395.10928	1.6
407.07663	0.5
439.11221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47754	0.1
55.01775	0.3
57.03339	0.2
58.00488	0.1
58.78464	0.1
59.01267	100.0
60.01603	1.3
69.62418	0.3
69.62843	0.3
71.01274	3.7
72.99218	0.2
73.02836	1.3
75.00758	0.1
83.01277	0.6
85.02845	2.0
85.07986	0.1
86.03210	0.1
87.00777	0.1
89.02344	0.8
95.01302	0.4
97.02905	0.1
98.20532	0.1
99.00768	0.5
101.02347	3.5
101.03001	0.2
106.51953	0.1
107.27135	0.1
111.00780	0.1
113.02361	1.4
119.03416	0.2
125.02354	0.2
129.01872	0.2
143.03481	0.2
153.01884	0.1
159.02943	0.5
160.00746	0.1
161.04517	2.7
162.04941	0.1
240.45886	0.1
268.21402	0.1
307.75235	0.1
352.47269	0.1
375.23962	9.2
376.24292	1.1
408.12476	0.2
419.23013	0.9
420.23489	0.2
435.08084	0.1
435.26105	0.7
436.26709	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	435.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.2
59.01267	100.0
60.01597	1.0
60.56748	0.2
61.76718	0.2
61.98738	1.1
69.35139	0.9
69.35561	1.0
71.01270	2.3
72.22793	0.2
72.99221	0.3
73.02849	0.9
73.35944	0.2
73.81982	0.2
83.01288	0.4
85.02841	1.1
89.02366	0.5
96.95931	0.3
99.00778	0.4
101.02352	2.1
108.02104	0.2
113.02332	0.9
118.15267	0.2
122.92109	0.2
134.03673	0.3
138.25534	0.2
151.03984	0.7
159.03018	0.3
161.04509	1.6
177.79346	0.2
196.35867	0.2
237.11320	0.4
256.06387	0.3
273.07874	0.4
299.11444	0.3
375.24036	4.4
375.28357	0.3
376.24597	0.6
435.09290	0.4
435.26437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.7
59.01271	6.3
60.88408	0.6
69.03329	0.6
69.90842	2.1
69.91249	1.4
71.04932	0.8
72.99207	5.6
75.77453	0.7
78.95800	8.7
80.96227	0.7
93.03345	1.0
95.04945	0.8
96.95953	1.0
96.96862	1.7
97.06502	6.5
117.03410	3.2
119.04944	2.3
121.02875	14.5
123.04401	0.7
123.08051	1.0
125.06011	38.6
125.09613	1.7
126.06331	1.8
143.07086	74.6
144.07408	2.9
145.02904	26.0
146.03244	1.0
152.99548	12.7
153.99878	2.1
154.99989	4.3
163.04028	1.3
163.11295	4.3
163.12566	1.1
164.11531	0.8
165.12816	7.0
177.12715	1.1
179.14383	1.6
181.12329	2.6
193.15962	2.1
197.11722	0.9
209.11807	1.4
223.13390	2.2
241.27855	0.6
247.20731	7.9
248.21005	1.4
271.22836	7.9
273.18591	2.7
291.19754	58.4
292.20013	5.9
293.23178	0.6
309.20801	100.0
310.21118	12.3
392.52332	0.7
417.26553	11.5
418.26901	1.9
435.27872	19.4
435.74957	0.6
436.27997	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	436.214
Annotation	Decaline
Peak:m/z	Relative Intensity
59.01264	2.6
61.98713	1.1
71.52489	1.0
71.52880	0.8
74.21350	0.6
91.02882	0.6
109.02850	0.6
109.20927	0.6
121.02894	2.7
122.03664	1.7
123.04456	22.8
128.03416	1.0
135.04413	0.6
142.79169	0.6
146.03680	1.8
147.03226	1.0
147.04477	1.4
154.39964	0.5
157.24159	0.6
161.02377	0.6
163.03873	0.9
163.11270	0.8
171.03191	0.9
172.05299	0.7
173.02301	0.9
173.06056	0.6
183.04436	1.4
187.11227	1.3
189.12836	0.9
196.03938	1.2
197.02530	0.9
197.06097	3.6
199.04008	5.2
199.07657	0.9
209.06030	1.5
211.04010	8.1
211.07571	2.0
211.13377	4.6
212.04831	3.0
212.12132	0.6
213.05568	1.2
213.12740	0.7
222.06741	0.6
223.07608	2.1
224.03409	8.2
224.06921	1.0
225.05655	21.3
225.09116	1.3
225.11296	1.1
226.05984	2.6
228.33661	0.6
237.05609	3.5
237.09239	0.9
238.05035	5.9
239.03490	0.7
239.07263	12.1
239.10826	1.2
240.07608	1.3
241.16008	2.1
243.17619	1.1
247.07545	0.7
248.61316	0.6
250.09908	0.8
251.07190	5.8
252.06931	0.6
253.08763	2.2
257.03232	0.7
263.07516	0.8
265.08737	5.0
266.09320	2.5
267.10278	1.5
268.11078	3.1
278.08423	0.8
279.10431	3.9
280.11337	4.1
281.11810	1.9
283.13354	0.8
285.15317	1.0
286.32779	0.6
293.11960	1.1
294.12772	1.2
295.13034	0.7
296.14200	1.8
299.13138	0.8
301.14621	0.9
311.11832	0.6
311.16708	2.0
340.13214	21.7
341.13525	3.2
347.20193	1.1
363.19873	0.8
365.21417	4.3
366.14371	1.0
367.14322	1.4
381.20914	1.0
391.19299	7.7
392.19525	1.2
409.20306	100.0
410.20578	16.5
418.20615	3.4
419.25064	0.9
436.21396	93.0
437.21695	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	435.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85241	6.2
51.74224	6.8
57.52288	6.3
59.01270	100.0
59.99001	6.8
69.45831	55.2
71.01282	43.4
72.99194	9.0
73.02816	8.1
75.00748	13.1
85.02818	21.1
89.02364	36.6
93.03362	17.0
96.95930	12.4
99.00781	7.6
101.02342	29.0
109.02831	13.2
113.02348	18.1
119.03404	17.5
119.04958	23.9
125.02341	16.1
125.34103	7.0
129.24612	6.6
135.04457	8.8
137.02396	15.2
145.02876	20.0
152.99500	12.9
153.01888	28.4
161.04451	29.2
163.03993	30.6
169.81026	7.7
179.05565	16.6
191.05661	12.0
217.08786	9.3
297.06317	21.5
305.06967	10.0
345.14481	9.3
371.05704	8.4
389.21909	28.7
399.13007	36.2
435.09360	37.5
435.22696	13.7
436.09610	17.5
436.22556	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	435.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96297	0.3
70.82181	0.4
78.95797	45.7
82.96185	0.2
87.10532	0.1
93.05573	0.1
96.96869	5.8
108.65498	0.1
150.97968	1.4
152.99532	100.0
153.99875	1.7
171.00589	4.2
182.90962	0.2
211.33278	0.1
281.24933	1.1
335.37976	0.1
420.14600	0.1
431.06250	0.2
435.25275	10.5
436.25690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2527
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
51.34071	0.1
71.16034	0.3
71.16373	0.2
78.95794	45.3
96.96864	5.7
97.91201	0.1
108.40310	0.2
120.31315	0.2
140.15535	0.2
150.97960	1.8
152.99527	100.0
153.99864	1.7
171.00595	4.5
224.38499	0.2
237.38084	0.1
281.24887	0.7
306.17221	0.2
435.25259	10.1
436.25494	1.3
451.21249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1309
Annotation	Monnieraside III
Peak:m/z	Relative Intensity
55.01790	0.4
57.03342	0.7
59.01268	6.6
59.01542	0.7
61.98722	0.9
66.03362	1.1
70.49443	0.7
70.49792	1.2
71.01271	10.6
72.99195	0.6
73.02835	2.4
75.00764	0.6
83.01290	2.4
85.02844	4.3
87.00787	0.8
89.02357	1.6
93.03365	22.8
93.62842	0.5
94.03677	0.7
95.01292	1.5
95.04945	1.4
96.99205	0.7
99.00799	0.9
101.02355	8.5
107.04929	1.0
108.02077	1.8
108.04468	5.7
109.02874	1.3
113.02341	4.0
119.03404	0.6
121.02853	1.8
122.03634	1.0
123.00912	2.2
123.04445	87.5
124.01570	1.9
124.04774	2.9
125.02363	1.7
126.02785	0.4
133.02895	3.3
135.04451	1.9
136.01588	2.2
137.02382	52.8
138.02795	1.9
139.03989	0.8
147.04442	0.9
149.02380	0.8
151.00270	0.8
151.03952	5.8
152.03450	4.6
153.05524	72.3
154.05856	3.5
161.04535	1.6
166.02660	0.9
167.03465	0.5
170.00436	0.6
175.03972	0.7
179.03436	1.6
181.05054	1.2
181.63298	0.4
183.04546	0.6
185.02713	0.5
187.04010	1.5
215.03438	0.7
217.05022	0.9
225.30098	0.4
226.05063	0.8
229.01472	0.8
235.06287	0.8
239.05632	0.7
243.03027	0.9
254.04613	0.7
257.00943	1.3
258.01599	1.0
271.02603	1.0
273.04163	1.2
280.02896	0.5
281.06741	100.0
282.07077	7.9
295.08374	1.7
296.07779	0.7
315.10922	1.2
387.14789	0.8
417.15665	0.9
435.08047	1.0
435.13577	12.9
435.22321	1.3
436.06851	2.1
436.13043	2.8
450.45700	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	16.3
59.01268	100.0
61.98736	23.1
69.76202	59.8
69.76621	26.9
71.01285	76.6
72.99195	20.8
73.02835	20.2
75.00763	24.3
85.02861	27.7
87.00798	16.3
89.02324	23.0
90.31603	13.5
98.19798	24.1
101.02368	49.2
105.64204	13.9
113.02340	39.2
120.53606	13.9
135.04463	18.3
136.10580	14.0
152.99557	28.3
153.01888	14.0
155.10715	30.0
161.04518	51.9
181.97737	14.0
227.16640	35.2
292.43381	15.3
389.17371	15.8
389.21930	99.2
390.22278	16.5
435.22440	79.5
436.22443	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	435.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03268	0.3
59.01186	6.9
59.01520	1.0
60.01545	0.3
60.71284	0.3
61.98638	2.8
65.03770	4.0
67.30477	0.3
69.03289	0.7
69.62143	0.9
69.62566	1.2
70.49968	0.3
71.01201	1.4
71.01541	0.3
71.08157	0.3
73.02805	0.5
78.95734	0.5
81.03292	0.4
83.01232	0.7
85.02785	0.7
87.00736	0.3
89.02284	0.4
91.01717	0.6
92.99671	0.3
93.03316	0.6
95.01285	1.6
96.95898	0.4
97.02784	1.0
97.99941	0.8
98.19891	0.6
101.02308	1.1
107.01256	0.6
107.04937	8.2
108.02089	4.6
109.02868	14.7
110.03161	0.4
113.02280	0.8
120.99235	1.5
121.02812	1.2
121.51556	0.3
123.00781	1.7
123.04398	0.7
124.01619	1.9
125.02369	6.5
126.02676	0.4
133.02834	0.4
135.00827	1.5
135.04378	0.4
136.01540	0.4
137.02383	2.5
138.49496	0.3
139.03952	0.3
145.02847	0.4
149.99547	4.9
151.00478	2.3
151.03952	100.0
152.04282	5.3
152.99556	0.3
153.01915	0.7
161.04546	0.8
163.00346	0.9
163.03954	4.7
168.00613	6.5
168.01970	0.5
169.01274	0.7
175.03963	0.5
177.01894	1.5
185.06122	0.3
189.01852	1.5
190.02792	0.4
191.03529	0.4
204.00681	0.6
213.05620	0.4
217.01512	0.7
219.03168	1.2
229.05209	1.0
231.03175	0.4
255.06895	0.8
257.04602	26.4
258.04883	2.2
271.06342	0.5
272.06970	13.0
273.03528	0.9
273.07755	35.0
274.08063	3.2
285.07919	0.4
299.36835	0.3
315.09180	1.2
341.06662	3.9
342.07556	0.6
397.12259	0.8
435.14066	13.5
436.14334	1.7
456.14795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20832	0.4
57.03314	0.7
58.48623	0.4
59.01269	3.1
61.98710	1.9
71.01273	4.6
71.37243	0.9
72.99156	0.4
73.02834	0.8
78.98491	3.1
79.95629	4.1
80.96413	30.3
83.01285	0.7
85.02839	1.8
87.00767	1.6
89.02365	0.5
94.97990	8.3
95.01292	0.5
96.95955	0.6
97.02834	0.7
99.00809	0.4
101.02359	2.5
106.97986	1.5
108.02044	0.5
109.02882	1.1
111.00764	0.6
113.02340	1.0
120.61404	0.4
121.02896	0.6
122.97482	1.5
123.00784	0.5
125.02367	4.0
127.03988	0.5
134.97502	2.0
135.04463	5.1
136.99059	0.6
137.02377	1.8
139.03928	0.5
148.99057	3.0
152.01065	0.7
152.98576	3.2
153.01813	0.7
161.02402	1.5
161.04558	0.6
164.03429	0.7
164.98590	5.6
165.01926	0.6
167.03433	1.0
169.17012	0.4
174.03233	0.6
177.01932	0.8
179.03476	0.9
185.02414	1.5
186.03065	0.6
189.01918	0.5
199.09744	0.7
202.02620	1.3
206.99673	1.4
213.01814	0.7
219.06694	0.4
225.00743	7.5
229.01419	5.1
230.02109	1.7
241.01414	0.7
257.01077	2.7
258.01743	10.1
259.02472	3.6
272.03342	9.6
273.04077	15.3
273.17175	0.4
274.04532	1.0
289.07123	0.4
299.04602	3.5
305.06793	3.1
323.07733	0.9
345.14523	0.9
389.22009	1.2
435.09637	100.0
436.09976	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	435.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.6
59.01267	1.8
63.02281	0.2
65.00211	0.9
67.01804	0.1
69.03363	0.2
71.00922	0.2
71.01279	0.6
71.36782	0.3
71.44073	0.1
73.02840	0.2
79.05427	0.1
81.03355	10.4
82.03713	0.3
83.01273	4.3
89.02367	0.2
89.81348	0.2
93.03362	7.7
94.03668	0.3
95.01292	0.4
95.04935	0.5
97.02863	0.2
99.04431	0.3
101.02364	0.2
107.01292	1.4
111.04433	0.5
113.02390	0.1
119.04954	10.2
120.05313	0.4
121.02891	0.3
123.04447	30.3
124.01631	0.2
124.04798	1.7
125.02374	14.8
126.02711	0.6
135.04457	1.6
137.02415	0.4
139.03951	0.3
147.04454	0.4
149.02397	2.2
151.00316	3.4
151.04059	0.2
153.01981	0.2
161.23120	0.1
163.03937	0.4
163.07529	0.2
164.38908	0.1
165.05507	0.3
166.02640	0.4
167.03458	83.0
168.03784	4.0
169.06535	0.4
171.04523	0.2
172.05162	0.2
179.03474	8.8
180.03783	0.3
185.19925	0.1
187.07608	0.5
189.05588	2.0
191.03493	1.2
211.07643	0.5
217.42813	0.2
229.08821	0.8
255.06667	0.7
273.07755	100.0
274.08099	8.5
287.04547	0.2
297.07791	0.6
315.08765	0.3
435.13440	1.2
436.13004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90424	0.4
56.06796	0.5
57.03317	0.4
59.01255	1.8
59.01548	0.4
70.77049	1.5
71.01272	0.8
71.99152	0.4
73.02840	0.7
82.50452	0.4
88.87743	0.4
90.97379	0.4
93.03351	1.3
93.66452	0.4
101.02367	1.2
108.02081	5.9
109.02875	4.0
113.02358	0.7
125.02373	1.7
128.49251	0.5
137.02396	2.2
152.01088	5.8
153.01852	3.0
161.02420	1.1
161.04529	0.7
164.00989	0.5
174.03159	1.3
175.03940	0.6
185.02414	3.9
186.03110	0.9
186.23932	0.5
187.03926	0.7
189.01866	0.7
199.09776	1.0
201.01906	1.6
202.02664	3.2
203.02936	0.5
214.02737	0.6
215.03500	0.6
229.01440	39.3
230.02100	8.1
231.02721	0.9
241.01419	0.6
242.02208	1.4
243.03036	7.3
244.03581	0.7
257.00964	48.8
258.01718	27.0
259.02405	7.9
269.00912	0.6
270.99670	0.8
271.02530	7.7
272.03351	5.9
273.04117	12.0
274.04468	0.9
315.07242	1.0
347.83673	0.4
389.21924	1.5
417.62695	0.5
420.07089	4.5
421.07675	0.7
435.09421	100.0
436.09766	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	435.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90424	0.4
56.06796	0.5
57.03317	0.4
59.01255	1.8
59.01548	0.4
70.77049	1.5
71.01272	0.8
71.99152	0.4
73.02840	0.7
82.50452	0.4
88.87743	0.4
90.97379	0.4
93.03351	1.3
93.66452	0.4
101.02367	1.2
108.02081	5.9
109.02875	4.0
113.02358	0.7
125.02373	1.7
128.49251	0.5
137.02396	2.2
152.01088	5.8
153.01852	3.0
161.02420	1.1
161.04529	0.7
164.00989	0.5
174.03159	1.3
175.03940	0.6
185.02414	3.9
186.03110	0.9
186.23932	0.5
187.03926	0.7
189.01866	0.7
199.09776	1.0
201.01906	1.6
202.02664	3.2
203.02936	0.5
214.02737	0.6
215.03500	0.6
229.01440	39.3
230.02100	8.1
231.02721	0.9
241.01419	0.6
242.02208	1.4
243.03036	7.3
244.03581	0.7
257.00964	48.8
258.01718	27.0
259.02405	7.9
269.00912	0.6
270.99670	0.8
271.02530	7.7
272.03351	5.9
273.04117	12.0
274.04468	0.9
315.07242	1.0
347.83673	0.4
389.21924	1.5
417.62695	0.5
420.07089	4.5
421.07675	0.7
435.09421	100.0
436.09766	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	435.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94935	0.5
57.03327	0.5
58.48213	0.4
59.01269	4.2
69.03346	0.5
69.25025	4.9
71.01275	5.0
73.02846	1.9
81.03360	0.6
83.01276	1.3
85.02849	4.1
89.02332	0.5
91.10170	0.4
92.53748	0.4
93.03364	12.4
94.03684	0.6
95.01286	2.7
96.99230	1.1
97.02877	0.5
99.00782	1.1
101.02362	3.3
101.90836	0.4
107.04949	0.6
108.02086	46.2
109.02884	24.4
110.03243	0.8
113.02361	3.2
115.03934	0.5
116.02109	0.4
119.04976	0.6
121.02864	1.9
123.00800	4.8
123.04499	0.7
133.02974	0.5
135.04402	0.4
136.01587	1.9
137.02380	23.2
138.03030	1.5
139.03946	0.7
151.00356	0.7
151.03932	1.1
152.01096	64.9
153.01897	19.6
154.02177	0.9
161.02402	0.6
161.04509	0.9
163.03969	0.7
166.02641	0.8
179.03468	0.8
181.05070	0.8
185.02431	0.5
202.02654	0.7
229.01479	5.5
230.02086	1.3
237.07774	0.9
243.03098	1.4
257.00967	9.5
258.01691	5.6
259.02466	1.2
262.65332	0.4
271.02585	1.7
271.05594	0.4
272.03287	1.5
273.04144	3.3
281.06699	4.5
282.07217	0.6
288.02774	0.7
289.03464	0.7
315.07275	8.8
316.07614	1.0
327.08743	0.6
357.13583	1.3
370.99442	0.5
391.10153	2.0
420.06952	1.0
435.09393	100.0
436.09769	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	433.2603
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01266	18.7
71.01292	0.7
78.08714	0.5
78.95797	41.2
86.97192	0.6
96.96877	4.8
98.20581	1.3
101.02290	0.6
117.03374	2.8
119.04958	1.7
121.02891	0.8
123.04485	0.6
132.02115	0.6
133.02881	18.6
134.03622	2.3
135.04449	8.2
137.02353	1.4
144.68581	0.6
145.02896	3.3
150.97922	0.8
152.99533	69.4
153.99831	1.1
161.02396	100.0
162.02705	5.4
163.03922	0.9
171.00563	3.8
179.03435	2.1
186.80652	0.5
192.30714	0.5
225.22261	0.8
229.31577	0.7
271.22845	10.3
271.25583	0.5
272.23074	1.3
279.23294	1.3
303.62390	0.5
304.57382	0.5
347.26144	0.7
415.24881	2.6
433.25879	45.6
434.09882	0.6
434.26184	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	433.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39647	0.4
59.01267	10.5
62.35975	0.4
65.68292	0.4
65.93465	0.4
68.54414	0.3
71.53322	0.7
72.99197	1.8
73.01193	0.4
78.95796	60.4
80.02556	0.4
83.01261	0.8
96.96861	5.9
97.02848	0.8
97.06516	2.8
123.04411	0.9
125.06010	12.0
125.09656	1.6
125.59817	0.4
135.08109	0.4
137.09669	0.6
143.07083	22.1
144.07516	0.7
150.97960	1.4
152.99530	100.0
153.99860	1.8
154.13242	0.5
163.11261	0.9
165.12802	0.6
171.00589	3.8
185.11803	1.6
191.14395	1.4
207.10254	1.2
209.11809	6.6
210.12167	0.6
225.11292	1.0
245.19182	2.7
279.23364	1.3
288.15985	0.4
289.18161	8.4
290.18539	1.2
307.19226	10.5
308.19620	0.9
335.18756	1.0
433.23529	11.9
434.23923	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	433.2602
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
56.63585	0.2
59.01268	9.0
61.98717	0.5
71.58725	0.3
71.59108	0.3
78.95782	1.2
96.95919	0.4
99.08077	0.3
99.92493	0.4
101.02353	0.3
117.03382	15.6
118.03722	0.7
119.04948	7.5
121.02873	0.7
126.71283	0.3
133.02890	0.3
133.08925	0.2
139.17169	0.3
141.12770	0.4
145.02895	100.0
146.03239	4.6
152.99530	2.1
154.99905	0.4
161.02362	0.5
161.04573	0.3
163.03975	5.2
165.12782	0.9
247.20621	0.3
269.21429	0.4
285.20789	0.4
287.22357	10.1
288.22769	1.1
291.19791	1.0
316.53397	0.3
347.26224	0.4
373.18610	0.3
415.24945	0.7
433.20938	3.5
433.26093	32.5
434.14169	0.3
434.21161	1.1
434.26428	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	433.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
58.00491	0.3
59.01269	100.0
60.01606	2.1
61.01701	0.6
61.98721	13.5
71.01272	5.8
71.59912	0.3
72.30518	0.3
72.99229	0.8
73.02851	0.6
81.03379	0.5
83.01279	0.6
85.02843	1.6
87.00799	0.4
89.02343	6.9
93.03378	0.4
95.01303	0.4
96.95918	0.3
101.02347	4.2
108.02134	0.4
109.02843	0.3
113.02382	2.6
119.03429	3.3
125.02372	0.8
131.03464	0.4
135.71515	0.3
137.73224	0.3
143.03474	1.0
151.00360	0.3
157.08832	0.3
161.04500	1.8
179.05597	3.4
197.11812	3.3
197.13304	0.3
231.06970	0.3
253.09407	0.4
271.02679	0.4
271.06415	0.4
300.02921	0.7
301.03799	0.4
333.81290	0.3
373.21997	1.2
389.90512	0.3
433.07886	0.3
433.15396	1.0
433.24704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.4
56.23192	0.1
59.01266	100.0
60.01602	0.9
61.98719	2.5
71.01273	4.8
71.02383	0.2
71.02702	0.2
73.02834	1.5
75.00758	0.2
83.01295	0.4
85.02843	1.8
87.00785	0.3
89.02341	1.2
95.01295	0.2
95.48586	0.2
99.00802	0.6
101.02345	3.7
113.02370	2.0
119.03457	0.4
125.02378	0.2
128.03497	0.3
129.01883	0.2
131.03323	0.1
137.02385	0.2
143.03525	0.4
143.04575	0.2
146.09508	0.1
152.99471	0.2
159.03018	0.5
161.04503	4.0
167.03542	0.2
175.02414	0.2
179.05699	0.3
197.11836	0.6
209.08217	0.3
209.11917	0.3
211.17039	0.2
225.05641	0.2
301.16708	0.2
373.22400	9.5
374.22833	1.5
417.21350	1.5
418.21777	0.2
433.25018	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	433.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36454	0.3
58.00500	0.7
59.01267	100.0
60.01609	1.3
61.71287	0.4
61.98721	10.7
66.82602	0.3
71.01273	9.7
71.52160	0.9
72.01594	0.4
72.99218	0.9
73.02845	1.4
83.01291	0.4
85.02856	2.4
87.00765	0.5
89.02341	7.1
95.01311	0.8
95.64760	0.4
101.02352	7.3
113.02375	4.4
119.03439	2.6
141.09654	0.4
143.03409	0.7
159.02988	0.4
161.04503	7.1
179.05569	0.9
196.50478	0.4
243.21194	0.4
281.34430	0.5
282.70465	0.4
291.51245	0.5
373.22397	28.0
374.22842	3.8
433.24649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89331	0.3
53.45361	0.3
55.01781	0.8
57.01477	0.3
57.03366	0.3
58.00480	0.5
58.82247	0.3
59.01268	100.0
60.01597	1.3
60.13415	0.4
61.98723	1.2
65.01575	0.3
71.01272	8.4
71.15977	0.8
72.62182	0.3
72.99235	0.3
73.02845	2.3
80.60857	0.3
83.01299	1.4
85.02842	3.4
87.00784	0.6
89.02341	5.5
95.01344	0.5
97.02857	0.3
99.00816	0.8
101.02357	6.5
101.36270	0.3
111.00804	0.5
113.02360	4.4
119.03423	3.0
131.03455	0.5
141.01915	0.4
143.03487	1.4
149.04515	0.6
159.02975	0.7
161.04500	5.0
179.05588	1.5
221.79091	0.3
291.95267	0.4
292.38251	0.3
373.22394	18.9
374.22864	2.5
403.96799	0.3
404.77069	0.3
421.66904	0.3
423.02048	0.3
433.15659	0.3
433.24734	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	433.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84943	0.1
62.96299	0.3
69.33261	1.8
69.33607	0.3
69.77508	0.1
78.95795	53.0
89.68997	0.2
96.96867	6.3
96.97502	0.3
98.19828	0.3
150.97977	1.8
152.99529	100.0
153.99858	1.9
169.03020	0.2
171.00600	4.2
248.77324	0.1
279.23309	0.9
433.23715	9.0
434.23956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56358	0.1
53.92076	0.1
55.01769	0.3
55.50678	0.1
56.55845	0.1
57.03331	0.3
58.00493	0.1
59.01267	100.0
60.01608	1.2
69.03326	0.1
69.45709	0.5
69.46145	0.5
71.01274	4.4
72.99184	0.1
73.02840	1.5
75.00748	0.2
83.01285	0.5
85.02847	2.2
87.00777	0.2
89.02344	0.8
95.01305	0.3
95.39974	0.1
97.02869	0.2
99.00787	0.6
100.94862	0.1
101.02354	3.4
101.03003	0.2
113.02361	2.1
119.03422	0.3
125.02392	0.4
129.01851	0.1
143.03435	0.3
145.02908	0.2
146.02386	0.1
147.03296	0.2
151.00250	0.2
159.02988	0.5
161.04517	3.7
161.05829	0.3
165.01913	1.2
180.34724	0.1
211.17052	0.3
243.03174	0.2
255.03067	0.6
256.32300	0.1
271.02515	1.1
271.05826	0.6
300.02823	1.5
300.05557	0.1
301.03528	1.2
373.22385	4.4
374.22867	0.6
401.59360	0.1
433.08041	0.9
433.12906	0.2
433.25027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
58.00491	0.3
59.01269	100.0
60.01606	2.1
61.01701	0.6
61.98721	13.5
71.01272	5.8
71.59912	0.3
72.30518	0.3
72.99229	0.8
73.02851	0.6
81.03379	0.5
83.01279	0.6
85.02843	1.6
87.00799	0.4
89.02343	6.9
93.03378	0.4
95.01303	0.4
96.95918	0.3
101.02347	4.2
108.02134	0.4
109.02843	0.3
113.02382	2.6
119.03429	3.3
125.02372	0.8
131.03464	0.4
135.71515	0.3
137.73224	0.3
143.03474	1.0
151.00360	0.3
157.08832	0.3
161.04500	1.8
179.05597	3.4
197.11812	3.3
197.13304	0.3
231.06970	0.3
253.09407	0.4
271.02679	0.4
271.06415	0.4
300.02921	0.7
301.03799	0.4
333.81290	0.3
373.21997	1.2
389.90512	0.3
433.07886	0.3
433.15396	1.0
433.24704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1152
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
56.17567	0.4
59.01266	11.1
60.01569	0.4
61.98709	1.0
63.02277	1.9
65.00211	5.0
69.50838	1.0
69.51254	1.9
71.01271	1.0
72.99223	0.5
73.02835	0.6
83.01284	3.6
85.02845	0.6
85.76311	0.3
89.02353	0.5
93.03361	6.8
101.02325	0.5
107.01298	9.4
108.02165	0.4
113.02379	0.5
119.04950	30.3
120.05293	1.8
121.02895	0.6
125.02357	1.2
135.00836	0.4
135.04478	0.4
136.01590	0.6
137.02359	0.5
139.17831	0.3
141.95572	0.3
145.02887	0.7
149.02374	0.4
151.00319	36.3
152.00655	1.6
161.02423	0.7
161.04520	0.3
164.01086	0.8
165.01886	1.6
169.01372	1.0
173.00757	0.4
175.00340	1.8
177.01906	4.8
185.06001	0.6
187.03958	0.5
193.01430	0.5
197.11884	0.6
227.07242	0.7
252.13789	0.3
271.06189	100.0
272.06549	8.6
295.06210	0.9
300.02722	0.9
301.03442	0.8
313.07257	1.6
431.04401	0.4
433.12317	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01267	100.0
60.01599	1.3
61.98714	3.8
69.47869	1.5
69.48279	7.0
71.01272	9.4
72.99199	13.1
73.02852	2.0
74.16241	0.8
75.00769	5.2
78.95800	1.1
80.43179	0.9
83.01276	2.1
83.04919	1.6
84.02100	1.0
84.20045	0.8
85.02831	5.9
85.03281	0.8
87.00783	4.7
88.21507	0.9
89.02335	4.8
95.04987	0.9
96.72739	0.8
96.95927	1.5
99.00761	1.4
101.02357	6.8
109.02902	1.7
113.02407	3.2
115.00292	14.1
119.03421	0.9
123.08090	1.3
125.09658	3.9
129.01859	1.3
135.02917	4.7
151.03888	1.1
161.04512	3.0
163.11189	1.1
175.02455	23.6
175.11343	1.0
178.93613	0.8
191.10774	1.1
193.12262	3.5
197.11865	1.7
209.11853	7.6
211.13362	1.5
219.10312	1.4
221.11804	8.3
234.88297	0.8
237.11374	3.6
241.14491	6.7
247.09543	1.5
247.91467	0.9
253.14481	3.0
255.12350	1.0
265.10822	7.9
266.11124	1.5
269.14011	0.9
278.36874	1.0
283.12036	2.9
313.13046	11.3
314.13257	1.2
315.14584	51.0
316.14865	3.9
333.75079	0.8
373.22302	2.9
383.13489	1.1
433.24670	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	433.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.1
62.96302	0.3
63.34501	0.2
70.40228	0.4
70.40627	0.3
78.95797	69.0
96.96866	5.4
108.07851	0.2
150.97975	1.5
152.99539	100.0
153.99873	1.9
171.00598	2.7
279.23343	1.7
360.43146	0.2
433.23694	14.5
434.24048	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	433.1151
Annotation	Robustaside D
Peak:m/z	Relative Intensity
53.39539	0.2
59.01268	3.1
61.98724	0.3
63.02272	0.6
65.00212	2.6
68.99699	0.3
69.03342	0.5
71.01273	4.3
71.62231	0.3
73.02847	0.9
81.03374	0.6
83.01271	2.5
85.02842	2.4
87.00771	0.4
87.42690	0.2
89.02338	0.5
89.03888	0.2
93.03363	2.0
95.01296	1.9
96.95897	0.7
97.02856	0.9
98.54038	0.3
99.00784	0.6
101.02358	1.9
105.03364	0.7
107.01307	4.3
107.04919	0.3
108.02093	4.5
109.02872	10.7
110.03201	0.4
111.00813	0.5
113.02369	1.4
117.03376	1.0
119.04948	10.7
119.57861	0.3
120.05312	0.6
121.02847	1.4
123.00809	1.1
123.04433	0.8
125.02366	2.5
132.02119	1.5
133.02888	35.4
134.03232	1.2
135.04459	13.1
136.04839	0.5
137.02390	1.9
139.00270	0.6
141.01875	1.0
143.02435	0.3
143.04956	0.6
145.02921	1.5
149.02374	0.9
150.03061	0.3
151.00320	13.8
152.00679	0.5
161.02399	100.0
162.02737	5.3
163.00322	0.8
163.03955	0.7
165.01880	2.1
167.03424	0.6
169.01367	0.8
173.06084	0.3
175.03993	0.5
175.42938	0.3
177.01924	1.4
177.05522	0.7
179.03464	7.0
180.03877	0.4
184.39665	0.3
185.05986	0.4
187.04047	0.9
191.03410	0.3
193.01385	3.0
199.07619	0.3
203.03539	0.4
205.04921	0.3
207.02904	0.2
221.04510	0.8
223.02591	0.5
225.07689	0.3
227.07172	0.7
229.05124	0.3
241.14391	0.4
253.07199	1.0
263.05527	0.3
271.06171	20.7
272.06516	2.3
283.06195	0.3
313.07306	12.8
314.07715	1.5
323.07803	5.8
323.11594	0.4
324.08255	0.5
325.07227	0.4
325.78729	0.3
343.08325	3.7
344.08447	0.2
355.08224	0.3
415.10977	0.3
433.11508	79.6
434.11859	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	432.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.7
58.00481	0.6
59.01268	100.0
59.92036	0.3
60.01606	7.9
61.01698	1.3
61.76574	0.3
61.98720	60.9
66.94642	0.3
71.01274	7.7
71.52671	0.6
72.01627	0.6
72.99216	0.7
73.02836	1.5
78.18096	0.3
78.95808	0.3
83.01280	1.1
85.02840	2.1
86.03188	0.7
87.00766	0.7
89.02343	3.8
95.01296	0.7
99.00762	0.8
101.02342	4.3
102.02660	1.0
103.02758	0.5
113.02371	2.1
114.02714	0.6
119.03408	0.9
123.04441	0.4
125.02357	0.7
140.63084	0.3
143.03387	0.6
145.02837	0.9
146.03220	0.3
155.28807	0.3
159.02876	0.6
161.02419	0.4
161.04510	3.2
162.04787	0.9
163.03860	0.3
165.48390	0.2
179.05490	0.8
196.02461	0.3
197.11761	0.5
213.06490	0.3
223.66093	0.3
228.04330	0.3
253.15935	0.3
253.18135	3.9
271.02206	0.5
300.02518	1.2
340.53488	0.3
371.20474	0.6
372.21268	4.7
373.21799	0.7
432.22763	0.5
433.07385	1.1
433.24374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.4
59.01266	68.5
60.01607	5.2
61.01702	1.9
61.98719	100.0
70.83450	0.7
70.83771	0.6
71.01274	6.2
72.01601	1.1
73.02828	1.2
75.51810	0.4
83.01289	0.9
85.02859	2.2
87.00776	0.5
89.02328	3.2
93.03377	0.6
99.00796	0.7
101.02340	4.1
102.02674	0.8
107.01269	0.6
108.76240	0.4
113.02357	2.6
114.02647	0.7
119.03407	0.4
119.04915	1.3
125.02386	0.6
128.03442	0.4
141.45810	0.4
146.60197	0.4
151.00252	1.6
151.24095	0.4
159.02820	0.6
161.04509	3.6
162.04823	1.1
167.99277	0.5
179.05463	0.5
197.11646	1.4
209.15335	0.6
210.15779	0.4
271.03659	0.4
271.06177	4.4
300.02451	0.4
304.91745	0.4
319.84991	0.4
330.16776	0.5
371.20486	0.9
372.21173	6.8
373.21323	0.9
433.10904	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0788
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
59.01266	14.1
63.02298	0.4
65.00221	0.7
69.25784	4.0
71.01285	0.6
79.80946	0.3
83.01291	0.5
93.03356	0.6
101.02373	0.4
107.01308	1.7
108.02087	1.4
109.02859	0.9
113.02380	0.4
121.02851	0.9
131.97536	0.4
135.00829	0.9
144.46167	0.3
148.01608	1.5
151.00319	6.7
158.96312	0.4
161.04477	0.7
163.00351	1.9
164.01041	0.8
169.01367	0.4
178.99847	2.7
185.06149	0.6
187.03873	0.4
192.00789	0.5
198.03090	0.4
199.04024	0.4
211.04007	0.7
212.04868	0.4
216.04231	0.4
226.02742	1.9
227.03584	2.1
227.07155	2.0
229.04964	0.6
241.52069	0.4
243.03032	10.8
244.03496	0.9
245.04684	0.8
253.05190	0.8
254.02226	2.2
255.03041	21.6
256.03372	2.0
271.02551	58.1
272.03055	6.2
273.04031	0.7
283.02441	0.8
299.02094	0.8
300.02823	100.0
301.03485	28.2
302.03961	1.9
343.04724	0.4
364.74677	0.4
373.22366	0.4
433.07837	60.2
434.08157	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	431.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.5
59.01267	100.0
59.65430	0.3
60.01609	1.7
70.83387	0.7
70.83741	0.4
71.01270	9.2
72.61745	0.4
72.99201	0.5
73.02831	0.4
78.95839	0.3
85.02864	1.4
87.00819	0.8
89.02345	14.4
95.01293	0.6
101.02352	4.8
113.02365	3.6
115.30384	0.3
119.03416	5.8
131.03470	0.7
143.03424	1.7
149.04564	0.7
152.92178	0.3
161.04573	1.5
179.05611	3.9
209.11903	0.3
227.03522	3.7
228.03906	0.4
229.05226	1.1
255.03049	4.7
255.05467	0.5
256.03802	0.4
284.03351	5.4
285.04111	8.9
286.04596	0.9
371.20877	0.5
431.09964	6.0
431.23166	1.2
432.10220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40312	0.3
53.73658	0.3
55.01786	0.4
57.03333	0.8
59.01266	100.0
60.01607	2.3
61.00106	0.3
61.01690	0.8
61.98719	11.0
63.76101	0.3
71.01272	9.3
71.42577	0.5
72.01595	0.4
72.99190	0.4
73.02842	2.2
83.01285	1.3
85.02847	3.2
87.00798	0.5
89.02338	4.4
90.02707	0.3
95.01283	0.6
97.02922	0.3
99.00780	1.5
99.39099	0.3
101.02348	6.8
113.02350	4.4
119.03404	1.8
120.36488	0.3
121.02905	0.4
122.03222	0.4
137.09694	0.4
143.03427	0.4
148.04008	0.7
149.04306	0.4
154.42088	0.3
159.02963	0.9
161.04500	7.6
162.04863	0.6
179.05565	1.2
209.15459	1.0
220.12250	0.3
242.07404	0.4
333.57770	0.3
371.11038	0.4
371.20819	5.5
372.21112	0.4
431.22382	1.4
434.68912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	1.2
64.89799	0.2
71.30158	0.4
78.70631	0.2
78.95800	66.5
96.96867	5.9
150.97972	1.7
152.99538	100.0
153.99887	1.8
169.61526	0.2
171.00621	3.1
246.26935	0.2
277.21857	0.9
334.09195	0.2
431.22134	15.0
432.22559	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2215
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
60.31905	0.2
61.10190	0.2
67.53600	0.2
70.01488	0.2
70.86636	0.3
70.86997	0.5
78.95798	49.7
81.38071	0.2
82.07495	0.2
95.39377	0.2
96.96872	6.5
150.97949	1.8
151.45949	0.2
152.99536	100.0
153.99895	1.7
171.00606	4.2
273.46313	0.2
277.21860	0.6
301.94016	0.2
370.69574	0.2
422.40030	0.2
431.22113	7.2
432.22601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89928	0.4
53.60074	0.4
55.01775	2.0
57.03344	1.8
58.00489	0.4
59.01267	100.0
60.01600	1.2
61.98729	0.7
67.13570	0.4
70.20228	1.2
71.01271	20.9
72.99201	1.1
73.02839	7.9
83.01283	4.1
85.02847	10.6
87.00767	1.2
88.98716	0.8
89.02337	2.6
94.01429	0.4
95.01292	1.2
97.02878	0.6
98.20451	0.5
99.00785	3.6
101.02351	28.1
102.02677	0.8
113.02361	9.6
114.02758	0.6
125.02390	0.5
129.01895	0.7
143.03455	1.3
159.02968	2.5
161.04509	14.2
162.04836	0.5
205.03535	0.9
259.22031	0.4
269.17743	1.0
371.20822	42.2
372.21207	5.2
380.45544	0.4
431.25818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
57.11219	0.3
59.01266	100.0
60.01603	1.5
61.98737	0.6
71.01270	2.8
71.62436	0.3
72.99214	0.4
73.02843	0.7
76.10832	0.3
77.21703	0.3
78.71813	0.3
83.01270	0.6
83.04945	0.3
85.02855	1.4
87.00803	0.4
88.98715	1.2
89.02351	1.2
90.38534	0.3
99.04408	0.3
101.02341	2.2
113.02349	1.0
121.02890	0.3
123.00810	0.9
125.02330	0.3
138.03206	0.6
146.03816	0.3
161.04544	1.0
179.05627	0.3
255.03076	0.8
257.04681	0.4
269.17773	0.6
270.62805	0.3
284.03513	1.0
285.04086	1.7
287.22351	0.5
371.20834	4.5
372.21439	0.5
431.09946	0.6
431.23169	1.5
431.27719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08952	0.5
55.86771	0.5
58.02870	3.8
59.01264	3.0
66.03365	0.6
69.42638	2.2
69.43063	2.0
71.01299	2.5
72.00798	0.9
74.01971	0.9
74.02362	10.1
81.04483	1.0
82.02862	1.4
85.02850	0.8
86.02374	4.2
86.99010	1.1
87.05509	2.4
89.02338	2.0
90.00075	1.1
96.95877	0.6
97.03964	1.0
99.05554	6.8
101.01093	0.5
101.02363	1.0
101.07117	1.2
102.05490	1.4
109.03973	1.2
112.03954	1.4
113.02338	1.1
116.01652	0.7
123.05560	1.2
124.03967	0.9
125.03487	0.9
127.05051	1.9
128.03464	25.7
129.03810	1.0
135.05571	2.0
140.01120	1.4
141.01895	0.5
141.06627	2.1
143.04567	39.2
144.04897	1.2
145.06152	1.9
146.04558	3.3
149.07089	0.5
153.06635	3.0
155.03430	2.3
160.00693	10.5
166.09818	2.0
167.04646	2.9
167.08202	1.3
171.03883	0.6
177.03349	3.7
179.04602	8.0
181.06157	1.4
185.05612	1.4
192.07747	0.6
197.05663	1.4
198.08775	0.7
210.08836	7.8
242.07831	1.1
243.11223	0.5
243.80078	0.5
254.04274	0.8
254.07895	8.8
268.00275	1.2
269.00839	1.4
269.06738	2.4
272.08972	15.3
273.09256	1.1
288.04041	0.7
288.06754	6.9
289.07141	0.5
306.07739	100.0
307.08020	6.4
404.15002	6.9
405.15616	0.8
431.06360	1.7
431.11810	0.8
431.19623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02862	7.9
59.01265	29.0
59.86179	1.2
61.98704	1.7
66.03400	1.2
69.31535	10.2
71.01279	15.8
72.00777	0.9
72.99184	1.7
73.02844	4.1
74.02363	14.5
79.44417	1.0
81.04483	1.2
82.02909	1.5
85.02847	4.4
86.02369	6.6
86.99009	2.1
87.00740	2.5
87.05544	4.0
88.98758	1.2
89.02342	16.7
90.00082	1.3
95.01316	2.4
97.03942	1.4
99.00789	1.8
99.05545	13.6
100.03963	1.1
101.02354	9.3
101.07115	1.6
102.05529	2.6
108.02077	1.3
109.03996	1.6
110.00005	1.1
111.00809	1.2
111.05554	2.1
112.04011	2.5
113.02383	7.0
113.03515	1.2
115.03876	0.9
116.01733	1.6
117.05520	2.2
119.03423	7.7
123.04448	7.8
123.05251	1.2
125.02355	2.7
125.03505	1.9
127.05078	2.2
128.03467	38.8
130.48958	0.9
131.03455	1.0
131.04561	1.5
135.05574	3.0
137.02390	1.0
137.99498	1.5
138.03185	3.8
139.00310	9.4
139.03925	1.0
141.06639	3.7
143.03540	2.1
143.04558	57.4
144.04950	1.3
145.06197	2.8
146.04559	4.4
151.07588	1.5
153.01904	18.5
153.06642	2.6
153.09169	2.2
153.99004	1.5
154.02667	9.9
160.00676	14.9
161.04454	5.5
163.06102	1.5
166.09903	2.4
167.04599	3.3
167.08269	2.8
168.00652	1.8
168.04251	10.4
169.01364	3.5
169.05046	18.7
177.02051	1.2
177.03334	6.5
179.04483	6.4
179.05605	10.4
181.06169	2.0
183.06569	9.1
185.05602	1.6
191.79535	1.0
197.05768	1.4
198.08716	1.0
205.66345	1.0
210.08904	9.8
212.38223	0.9
216.92989	1.3
223.13361	1.4
225.06261	1.2
242.07793	1.8
254.07899	10.2
272.08948	18.3
285.09766	2.2
288.06714	7.7
300.65976	1.1
306.07724	100.0
307.08020	8.2
313.09366	5.8
385.18796	3.5
404.14978	6.7
431.15219	5.2
431.20282	1.9
432.09579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32277	0.5
58.02874	4.1
59.01267	5.7
60.99204	0.5
66.03365	1.1
69.07399	0.4
69.34447	1.6
69.34860	2.9
70.02863	0.8
71.01274	3.3
71.04902	0.6
72.00796	1.2
72.99226	0.6
74.02365	12.5
74.85532	0.5
75.00742	0.6
79.00748	0.4
81.04475	0.5
82.02885	1.7
85.02855	1.0
86.02370	5.2
86.06036	0.9
86.99004	0.7
87.05541	3.6
88.98697	2.3
89.02348	2.0
90.00095	1.0
96.95910	0.9
97.03961	1.1
99.00832	0.6
99.05549	11.0
101.02374	1.3
101.07102	1.4
102.05532	1.8
107.06044	0.6
109.03983	1.5
109.07645	0.5
111.05559	1.0
112.03950	1.8
113.02368	0.9
113.03493	0.7
116.01647	0.8
117.05497	5.0
119.03352	0.6
120.99576	0.9
123.05602	0.9
124.03989	0.7
125.02370	1.5
125.03487	1.3
127.05067	3.0
128.03470	34.5
131.04585	0.7
135.05569	2.9
137.02409	0.4
137.05988	0.6
138.03166	0.5
139.00287	1.2
139.03983	0.5
141.06630	3.0
143.04564	50.1
144.04944	1.0
145.06146	2.0
146.04538	4.4
153.01927	2.6
153.06667	3.2
153.09216	0.5
154.02635	2.0
160.00697	13.8
161.04533	0.5
166.09813	2.4
167.04594	3.2
167.08192	1.6
168.00592	1.1
168.04294	0.9
169.01407	0.8
169.05000	2.5
170.03305	0.8
171.04054	0.5
171.07715	0.9
177.03377	5.1
179.04549	10.2
181.06192	1.0
183.06691	0.6
185.05667	1.7
192.07768	1.0
197.05676	1.5
198.08806	0.7
210.08836	11.8
228.09912	0.7
242.04665	0.7
242.07814	0.8
248.68068	0.5
254.07872	9.8
254.53122	0.5
255.08231	0.5
269.04526	0.5
270.04126	0.7
272.08932	17.4
273.09393	0.9
288.06723	6.1
289.06863	0.7
306.07742	100.0
307.07968	6.8
385.18835	0.8
404.15067	8.5
405.15244	0.8
431.11813	1.7
432.10217	0.6
432.21957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11388	0.7
57.03329	1.0
58.00476	1.5
58.49999	0.7
59.01267	100.0
60.01600	1.6
61.98717	1.9
69.03336	1.0
70.68423	1.6
70.68813	1.5
71.01273	37.2
72.20347	0.7
72.99191	2.5
73.02863	0.9
73.77628	0.7
78.95795	1.1
83.01291	1.4
85.02850	5.2
87.00771	2.4
88.98702	3.2
89.02346	49.2
95.01292	2.8
101.02347	17.3
108.02126	0.9
113.02352	15.6
119.03429	18.7
123.00806	5.3
125.02332	0.8
131.03416	2.6
138.03152	2.7
143.03441	3.0
149.04568	1.1
161.04483	4.0
179.05573	11.3
179.07036	1.5
181.04997	1.0
255.03036	1.3
364.94986	0.8
371.20822	1.4
431.23077	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	430.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23098	1.0
56.07703	0.9
57.03337	1.6
59.01264	12.9
61.98707	2.3
69.03336	1.5
71.01273	79.3
71.52132	1.8
72.01614	1.4
72.99186	3.1
73.02858	1.6
75.00769	1.1
79.01747	1.5
81.03349	7.1
83.04914	12.0
85.02842	14.3
87.00784	1.8
89.02334	6.3
91.81452	1.0
93.03383	2.8
95.01289	36.8
96.01636	1.6
96.83224	1.1
96.95924	1.5
97.02851	9.0
99.00792	2.2
101.02338	3.8
101.23611	1.0
108.02111	1.1
111.00797	2.1
111.04431	14.5
113.02361	19.0
119.03429	1.4
119.38710	1.0
120.00813	2.5
121.02901	2.4
122.02422	2.3
123.00779	1.7
123.04399	1.5
125.02388	1.0
127.84689	1.2
128.03494	1.7
132.00833	1.7
135.04428	1.4
137.02339	2.3
148.00310	4.7
151.03999	1.4
152.95573	1.0
155.03450	100.0
156.03807	5.3
161.04547	1.3
165.01823	1.7
167.03494	3.1
168.03764	2.4
173.04501	2.4
175.99854	8.1
179.05539	3.5
197.04524	2.3
199.02464	10.1
207.01602	1.4
208.02522	2.8
223.02475	0.9
306.07852	1.3
440.68176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00484	1.9
58.13216	1.2
59.01266	82.3
59.28102	1.4
60.01589	2.0
61.55465	1.2
61.98708	4.5
67.22817	1.1
71.01268	17.2
71.14056	2.9
72.99189	1.6
73.02855	1.6
85.02859	3.5
86.83713	1.5
87.00749	1.7
88.98646	1.5
89.02339	13.5
93.03358	32.8
95.01270	2.4
98.02354	2.0
101.02356	7.8
107.04914	2.4
108.02082	3.2
109.02894	1.6
112.15714	1.4
113.02332	7.1
117.03364	2.3
119.03418	3.0
121.02852	2.1
123.04469	6.0
132.04466	1.9
135.04451	7.7
136.00658	1.7
136.01599	18.3
137.02379	100.0
138.02690	3.4
145.02876	6.2
148.03989	1.7
149.02345	4.5
151.03952	16.1
161.04492	2.5
167.03432	3.6
168.03795	2.3
179.03470	88.8
180.03789	3.6
182.64276	1.3
192.07913	30.9
192.09673	1.7
194.05836	26.2
207.10283	12.7
209.04582	25.9
209.08109	13.0
229.63387	1.4
239.05637	84.0
240.06133	6.0
241.06750	1.4
251.09224	4.0
268.03830	45.2
269.04581	13.0
269.10303	18.3
281.06738	2.2
285.04007	1.4
286.85229	1.3
299.07773	26.1
300.08051	2.3
371.13452	2.5
430.13531	1.6
431.09811	35.3
431.15640	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64929	0.4
59.01265	5.3
65.00230	0.5
67.26695	0.3
67.46825	0.3
71.27260	0.6
82.52516	0.4
83.01273	0.5
91.01738	0.5
93.03384	1.6
95.68128	0.4
96.68110	0.4
107.01308	2.1
109.02871	0.7
126.96304	0.3
132.02104	0.7
135.00768	1.4
143.04933	0.7
151.00298	1.2
153.01907	0.4
154.04202	0.3
157.06499	0.5
159.04518	0.9
163.00282	2.5
164.01163	0.4
165.01912	0.5
167.04985	0.6
169.06544	0.7
171.04451	0.5
183.04451	1.1
183.52621	0.4
185.02449	0.4
185.06018	2.1
187.03957	3.2
189.05492	1.1
196.05287	0.4
197.06049	0.8
199.03986	1.2
200.04703	0.3
201.05530	0.6
211.04004	2.7
212.04575	0.4
213.05499	1.6
215.03505	0.4
219.64247	0.3
223.03973	0.4
227.03511	46.1
228.03854	4.1
229.05066	11.3
230.05406	0.9
239.03526	1.8
240.04271	0.9
241.05072	1.4
243.03104	0.5
255.03029	69.9
256.03580	10.4
257.04584	7.0
258.04956	0.9
267.03009	0.8
283.02542	0.4
284.03333	62.0
285.04092	100.0
286.04456	9.8
361.05502	0.4
431.09912	52.2
432.10190	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	431.1205
Annotation	Asperulosidic acid
Peak:m/z	Relative Intensity
57.03336	0.9
59.01266	8.2
59.93880	0.7
62.27285	0.7
68.99702	1.1
69.03336	1.4
69.47701	3.3
69.48124	2.5
71.01280	4.0
78.95822	1.3
81.03381	1.8
83.01299	1.3
83.04920	5.4
85.02867	1.8
89.02361	1.1
95.01305	3.1
96.95911	1.1
97.02850	3.8
98.20549	1.5
99.00783	41.6
100.01150	1.0
101.02338	1.5
101.06034	1.4
102.98540	1.1
108.02097	3.1
111.00797	9.7
112.01115	1.0
113.02342	4.9
117.03401	3.1
119.04900	0.7
121.02874	1.7
123.00789	9.0
123.04386	0.9
125.02351	6.5
125.06016	9.3
132.02138	0.7
133.02861	1.3
134.03674	1.4
134.04662	0.9
135.04442	1.9
137.02379	2.0
137.06035	1.3
139.00319	8.8
140.01100	14.3
141.01878	100.0
142.02193	4.7
145.04997	4.3
149.02353	1.0
152.01028	0.8
153.01894	1.7
161.02365	1.7
161.04501	0.9
163.07607	1.3
165.01881	3.6
165.99019	1.0
167.03456	2.6
168.00545	4.3
178.02739	0.8
179.03452	1.3
179.07079	1.2
181.05083	0.9
196.03802	1.9
206.05865	8.0
207.06554	3.9
209.08171	1.4
209.11934	4.6
223.06143	1.4
224.06926	2.2
251.05650	12.5
254.07961	1.3
267.05286	1.5
268.05936	13.7
269.06754	67.1
270.07202	4.4
281.04562	1.7
282.05292	1.5
283.06183	12.3
284.06573	1.6
293.06821	1.6
303.07312	24.6
304.07669	1.8
311.05676	22.7
312.06046	2.6
323.05405	1.3
341.06729	5.4
431.12134	41.4
432.12418	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	429.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71766	1.2
59.01266	4.1
66.14745	1.0
73.58252	1.1
78.53815	1.0
83.34465	1.0
93.20822	1.1
96.05473	0.9
117.03375	32.3
118.03647	1.2
119.04945	4.7
121.02867	7.9
121.73750	1.0
123.04468	2.5
132.14336	1.2
133.02820	2.4
142.22057	1.0
145.02895	59.3
146.03241	2.9
162.03139	2.0
163.03975	2.0
171.00848	1.1
180.23341	1.1
219.61534	1.1
229.28055	1.3
234.63676	1.0
374.10956	1.1
429.30188	100.0
430.30438	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	429.302
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
59.01265	1.2
69.21189	3.1
69.21595	0.8
71.84865	0.4
77.07771	0.3
117.03386	23.8
117.27828	0.4
118.03725	1.1
119.04945	5.3
121.02068	0.6
121.02880	5.8
123.04424	2.3
133.02893	1.4
133.87294	0.5
134.03688	0.7
134.94461	0.4
145.02896	52.8
146.03201	2.0
147.04387	0.5
162.03125	1.8
163.03937	2.0
334.86789	0.4
429.30197	100.0
430.30542	17.3
430.36429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.2
59.01265	18.1
61.98713	4.8
69.03336	1.5
71.01273	78.3
71.51922	2.7
72.99207	2.9
73.02834	1.8
76.01820	2.3
76.51808	1.3
79.01823	1.3
81.03352	6.1
83.01269	2.9
83.04920	11.7
85.02842	17.7
87.00793	2.3
89.02346	8.7
93.03365	2.6
95.01292	38.7
96.95907	1.2
97.02851	8.5
99.00780	2.6
101.02333	5.5
111.00746	1.6
111.04430	16.2
112.59139	1.3
112.90479	1.3
113.02357	26.0
119.03409	3.0
120.00830	1.9
121.02873	4.5
122.02386	1.4
123.00813	1.5
127.03914	1.4
132.00821	1.4
133.94380	1.1
137.02341	1.9
137.06030	1.2
141.01805	1.5
148.00322	6.0
150.01938	1.4
151.03969	1.2
152.01070	1.9
153.01460	1.8
155.03450	100.0
156.03793	4.6
161.04541	1.7
167.03439	3.6
168.03798	1.7
173.04619	1.6
175.99884	11.7
179.05556	5.3
192.03015	2.2
197.04492	1.6
199.02461	6.7
208.02533	2.4
209.04640	2.0
223.06380	1.3
337.09546	1.2
349.12805	1.4
370.07745	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2656
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
53.16198	0.3
55.51732	0.2
55.70406	0.2
57.03340	4.5
59.01267	2.6
61.98719	4.3
65.03844	1.4
66.75989	0.3
67.01768	2.7
69.25482	2.4
69.25888	0.7
71.01300	0.4
81.03355	1.6
81.34712	0.3
83.04931	0.4
93.03375	0.4
95.01282	3.0
95.01712	0.3
95.04934	0.6
96.95908	2.6
97.02862	2.2
108.02067	1.4
109.02875	4.4
111.04444	0.7
119.94627	0.4
121.02875	40.2
122.03202	1.2
122.03719	0.8
123.04468	0.3
124.21178	0.3
127.36505	0.3
132.65942	0.3
134.03618	0.3
135.04454	1.0
136.05235	0.8
137.02380	4.9
137.06007	0.4
143.04942	0.3
147.04410	0.3
149.06026	0.3
151.14389	0.3
165.78487	0.3
168.93007	0.3
174.03227	1.0
206.66821	0.3
219.35179	0.3
245.19267	0.4
263.25018	0.3
273.18753	0.6
285.22260	0.3
287.20346	0.4
289.18250	1.3
289.21420	0.3
299.23883	0.7
301.21826	0.7
301.25122	0.3
307.19168	0.9
309.22278	0.3
315.23224	0.3
317.25177	0.3
319.22894	1.0
325.21851	0.4
327.19528	0.5
327.23392	9.2
328.23859	1.1
329.21457	0.6
333.24362	1.0
341.24951	0.9
343.22818	4.2
343.26593	3.9
344.26880	0.6
345.24319	0.3
359.25934	0.6
365.24902	0.4
367.26471	1.2
369.24463	6.0
370.24789	0.8
371.22351	15.3
372.22699	2.5
383.25711	0.3
385.23029	0.5
385.27634	7.3
386.27982	1.2
387.25443	3.7
411.25519	6.1
412.26028	1.3
416.93604	0.3
429.26550	100.0
430.26920	17.1
430.32974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23101	0.3
59.01267	100.0
60.01611	1.2
61.71927	0.3
61.98722	1.2
69.57387	0.9
69.57802	2.0
72.50378	0.4
75.16493	0.4
78.95811	1.6
89.02350	0.7
91.03905	2.4
96.95922	2.2
98.95506	1.1
99.04436	0.5
121.02876	1.0
122.77670	0.4
124.01600	0.9
152.99538	2.5
165.06894	0.4
171.00549	0.5
179.54665	0.4
195.13908	1.0
277.22006	0.5
295.22867	13.0
296.23315	1.1
341.41449	0.4
429.22989	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.5
58.00490	1.0
59.01266	100.0
60.01593	1.1
61.98718	0.5
69.37993	1.8
69.38423	1.5
69.75274	0.4
71.01271	13.8
72.99228	0.6
73.02848	1.5
78.95794	0.9
83.01292	0.7
85.02848	2.9
85.03986	0.4
85.06479	0.6
87.00805	0.8
89.02338	16.6
92.28461	0.4
93.03345	0.4
95.01309	0.8
96.95903	0.5
100.00315	1.2
101.02351	6.8
105.39957	0.3
105.99598	0.6
111.00815	0.4
113.02357	5.8
119.03428	5.9
123.04449	1.1
126.78424	0.4
131.03426	0.6
136.01540	0.3
137.02428	1.0
143.03452	1.5
152.99559	1.3
153.05490	0.4
156.98007	0.3
161.04506	3.3
179.03520	0.6
179.05609	3.5
183.06697	0.4
189.12817	0.4
200.23898	0.4
223.13345	0.6
239.05540	0.4
255.66383	0.4
267.12457	0.5
267.16129	0.9
279.97647	0.4
308.16498	0.6
334.13809	0.3
340.13519	0.5
341.27106	0.7
369.19333	1.8
384.85565	0.4
385.26462	0.5
429.21457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2293
Annotation	CJ 15544
Peak:m/z	Relative Intensity
58.32635	2.6
58.41473	2.5
59.01268	50.0
61.98697	5.5
71.01270	5.5
71.52223	3.5
71.52587	6.3
72.99204	4.7
73.57100	3.3
77.34456	3.7
78.95791	4.0
83.04919	5.5
85.19471	2.9
93.03355	35.4
95.04891	3.8
96.95914	100.0
96.96877	10.4
97.02882	5.2
97.06498	11.0
107.04926	3.8
119.04945	13.7
121.02884	42.1
123.08076	3.9
125.06005	16.5
125.09655	21.6
131.04979	6.9
132.05737	10.5
133.06528	26.9
141.05515	8.6
141.06607	2.9
143.07069	21.0
145.02820	4.5
147.04448	5.2
153.09178	5.1
159.04451	15.0
163.07568	4.7
163.11249	4.1
171.10231	14.1
171.82637	3.2
173.09686	6.8
181.12376	3.0
187.09721	11.2
197.11896	5.0
207.10246	12.2
209.11824	59.6
225.11328	13.8
237.11433	4.3
239.10670	3.3
241.12360	8.8
243.10097	2.9
247.21417	2.8
257.11859	37.9
259.13483	8.6
285.15030	9.7
287.16644	5.6
289.14413	5.2
303.16110	31.6
305.17670	75.5
306.18051	6.7
313.14676	3.7
315.15930	5.9
317.17578	16.4
318.18103	3.8
323.18704	31.7
331.15625	27.4
332.15744	5.2
335.18701	8.9
342.14841	4.6
391.46338	3.5
393.20847	8.1
411.21832	37.8
412.22327	5.0
429.22974	68.5
429.28281	3.5
430.23123	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	429.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91056	0.3
53.05339	0.2
59.01236	1.1
59.01514	0.3
80.16568	0.3
99.00774	0.5
99.08008	0.3
99.92481	5.1
100.93265	2.6
111.04433	0.4
115.91991	100.0
116.91998	4.8
116.92783	6.2
117.03374	7.2
119.04956	1.5
121.02869	1.7
123.04451	0.7
126.42137	0.3
132.92299	0.8
133.02905	0.4
145.02890	15.8
146.03271	0.6
151.03970	0.5
162.03235	0.5
163.03947	0.4
172.95445	6.9
173.95609	0.4
180.04381	0.3
199.89151	0.3
207.06679	0.7
208.07541	0.3
221.08199	7.3
222.08920	2.4
229.16801	0.3
230.14630	0.3
233.08354	0.3
235.09818	0.4
255.23541	0.6
355.16302	1.1
356.16406	0.5
371.15106	0.3
381.17905	0.9
411.19214	0.3
429.14453	0.5
429.20120	6.0
429.30774	27.4
430.20370	1.0
430.26556	0.5
430.31348	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74809	0.3
58.00482	0.4
58.64965	0.3
59.01266	100.0
60.01601	1.1
69.41049	3.2
71.01272	11.7
71.01670	0.6
72.99213	0.5
73.02834	0.6
74.24306	0.3
83.01295	0.6
85.02839	1.8
87.00762	0.8
89.02343	17.2
95.01307	0.6
98.19738	0.3
99.18103	0.3
101.02348	6.6
109.02881	1.0
113.02373	5.2
115.95817	0.3
119.03425	7.2
131.03404	0.9
132.04546	0.6
137.09656	2.0
143.03445	2.3
145.74585	0.3
149.04501	0.5
153.01891	0.6
153.05531	0.4
153.43610	0.4
159.02936	0.4
161.04468	2.4
179.05566	5.4
217.14813	0.3
220.94612	0.4
223.99010	0.4
240.06790	0.6
247.43292	0.4
305.87439	0.4
362.61710	0.4
429.13663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2139
Annotation	Dendroside F
Peak:m/z	Relative Intensity
55.01772	0.2
55.14111	0.2
57.03342	0.3
58.00477	0.5
59.01266	100.0
60.01597	1.2
62.60433	0.2
69.45213	0.9
69.45645	1.0
69.58038	0.2
71.01273	12.1
72.99223	0.3
73.02838	0.7
73.44449	0.2
78.95796	0.4
83.01303	0.7
85.02834	2.1
87.00787	0.9
89.02341	19.4
90.02712	0.3
95.01318	0.8
101.02351	6.9
102.02716	0.3
113.02360	5.9
119.03419	7.6
121.02882	0.3
121.06564	0.3
125.02385	0.3
131.03418	1.3
137.09656	2.7
143.03438	2.0
148.04027	0.8
149.04547	0.9
152.99585	0.4
158.01625	0.2
161.04497	3.5
179.05574	6.5
183.03014	0.4
187.13435	0.2
267.16205	0.8
281.06769	0.6
369.19272	0.6
370.10483	0.5
385.26193	0.4
429.21408	5.5
430.21600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2864
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
50.67172	0.2
57.03338	0.2
58.33434	0.2
58.90078	0.2
59.01255	0.7
67.44514	0.2
71.02172	0.5
77.47071	0.2
81.03355	1.1
83.04915	0.3
91.05431	0.3
101.58900	0.2
102.88741	0.2
108.02071	0.3
109.02888	0.2
122.03661	13.2
123.03945	0.3
123.04482	0.3
123.71861	0.2
135.04456	6.5
136.05286	0.5
137.02390	0.2
149.06013	1.6
151.03955	0.3
154.02628	0.3
163.07596	0.9
177.09189	1.0
191.10808	0.6
205.12352	0.4
219.13922	0.3
233.15572	0.5
247.17035	0.5
261.18704	0.4
273.22375	0.2
275.20111	0.2
289.21841	0.4
298.76144	0.2
315.23355	1.4
341.24829	0.3
353.24960	0.4
357.28098	6.0
358.28522	0.7
367.26486	1.6
368.26822	0.3
381.28302	0.4
383.29657	7.2
384.30118	1.2
385.27557	2.9
386.27841	0.4
412.26447	0.2
427.28632	100.0
428.28979	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	429.1414
Annotation	Hymenoside L
Peak:m/z	Relative Intensity
59.01268	2.9
62.39479	0.3
69.90957	1.8
71.01265	1.4
72.99212	0.5
83.01272	0.3
83.04919	0.6
85.02842	0.3
87.00751	0.4
89.02372	0.6
95.01331	0.4
96.95937	0.5
99.00771	0.4
101.02356	0.4
108.02081	30.3
109.02419	1.1
113.02372	0.5
119.03367	0.3
123.00822	0.7
123.04446	12.6
124.01565	0.4
124.04806	0.4
125.02391	0.5
133.02908	0.4
152.01099	44.5
153.01434	1.9
167.03453	100.0
168.03783	5.0
177.01828	0.5
179.03474	0.4
182.69646	0.3
187.02629	0.4
191.05580	0.4
198.57330	0.3
209.04515	0.4
249.11383	0.4
266.03424	1.7
267.15823	0.3
311.07996	0.5
371.09839	0.4
428.03836	0.3
429.14182	1.3
429.20416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58796	0.4
57.03342	4.2
59.01265	5.4
61.98723	2.7
63.33213	0.4
65.03843	0.9
66.35394	0.4
67.01785	1.8
69.03347	0.6
71.01270	3.2
71.52902	1.0
72.99214	0.7
78.95789	0.7
81.03339	2.1
81.56051	0.4
83.04921	0.6
93.03363	2.4
95.01299	5.6
95.04932	1.9
96.95921	1.3
97.02860	3.9
103.49760	0.5
106.46053	0.4
108.02086	6.8
109.02867	7.2
109.06496	0.7
111.04432	1.3
115.00301	0.8
118.89928	0.5
121.02897	1.1
122.03663	2.5
123.04440	1.2
133.01357	0.6
134.03676	1.2
135.04456	4.8
136.05240	0.6
137.02376	5.8
139.03964	0.9
149.06003	1.2
151.03929	0.6
162.06808	1.2
163.07584	0.7
165.03558	0.5
167.14424	0.6
189.16763	0.4
195.13934	1.9
221.91959	0.5
233.19157	0.6
259.17026	0.6
271.17136	0.8
273.18668	1.0
275.20212	1.3
285.18600	0.5
287.20306	1.6
290.73666	0.5
290.97137	0.5
293.21313	2.3
299.20279	0.5
311.22360	25.7
312.22543	2.3
317.21091	0.6
325.21811	6.1
326.22290	0.5
327.19864	0.5
331.22803	0.9
339.23630	0.5
341.21381	3.0
341.24588	2.6
342.21738	0.5
349.21893	0.6
349.93454	0.5
351.19785	0.5
365.25043	1.0
367.22974	3.5
368.23151	0.7
369.20782	14.6
370.21198	1.9
383.26083	4.8
384.26224	0.8
385.23996	2.3
409.23984	5.8
410.24301	0.8
427.25064	100.0
428.25378	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	427.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67840	0.4
59.01267	100.0
60.01604	1.4
61.98724	1.6
62.23805	0.3
69.24863	0.4
69.67397	1.9
69.67830	0.9
85.37997	0.3
85.88451	0.4
85.99427	0.3
96.95923	0.4
98.19779	0.6
102.70234	0.3
110.72590	0.4
113.09721	0.4
136.01616	3.7
137.02420	2.7
163.07579	0.7
187.04082	0.4
214.06781	0.4
219.86235	0.4
221.70357	0.4
249.22247	0.5
293.21295	5.8
293.24402	0.4
294.21835	0.6
330.05597	1.9
367.13470	0.5
383.28424	0.5
391.25232	1.2
398.81915	0.4
413.28226	0.5
427.20773	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	427.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17080	0.8
59.01269	100.0
60.01587	0.8
61.98728	4.8
65.81109	0.8
71.01270	3.3
72.99178	1.0
78.95770	1.9
91.03914	2.2
92.92720	1.0
94.92400	1.6
96.95938	1.0
99.92502	4.4
115.79035	1.0
115.91995	2.4
116.92775	0.8
118.89870	7.3
134.89404	1.6
135.90225	1.4
136.01637	0.9
152.99519	1.9
161.02422	0.9
205.31447	0.8
275.20224	1.0
284.29449	1.0
293.21338	11.9
294.21588	1.9
311.22369	15.2
327.92111	0.9
374.11829	2.6
392.12897	2.2
427.20737	1.3
427.25723	1.2
428.21722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2863
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
55.01781	1.5
56.35270	0.3
57.04703	0.3
59.01271	2.1
71.38702	0.9
78.95806	0.6
81.03356	1.3
95.04927	0.8
99.39481	0.3
122.03658	1.0
123.04436	0.7
135.04451	1.0
136.05219	1.0
149.06044	1.6
152.97182	0.3
163.07671	0.4
243.64096	0.3
301.21844	0.4
315.23380	0.8
327.23318	0.3
327.27225	0.7
341.28604	1.0
343.26483	1.8
344.26910	0.4
353.24878	0.6
357.28070	4.6
358.28351	0.6
367.26523	0.9
371.26041	1.0
381.28101	0.6
383.29645	10.8
384.25662	0.3
384.29901	1.8
385.27576	3.7
386.28030	0.4
409.27692	0.4
427.28632	100.0
428.28970	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	427.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92247	0.4
57.03307	1.5
59.01276	2.6
61.98696	0.9
65.03820	0.9
65.45731	0.4
67.01738	0.5
69.03320	0.4
71.01272	19.6
71.39949	0.9
72.01578	0.5
72.99199	4.0
78.95766	0.5
80.02541	0.4
81.03316	1.2
83.04901	0.4
88.98701	0.4
89.07858	0.4
94.92377	0.5
95.01238	1.2
96.95875	0.7
97.06477	0.5
99.92461	0.6
109.02847	2.0
115.00291	3.8
118.89876	0.4
122.03609	0.7
123.04466	1.9
133.01352	2.0
135.04437	1.0
137.02379	2.2
163.11188	1.1
165.12746	0.4
167.14349	1.9
174.03180	0.4
182.13145	0.5
183.13824	1.5
195.13881	5.0
196.14323	0.6
211.13231	0.7
242.15356	0.5
244.88315	0.4
248.00162	0.4
249.22255	1.3
265.21695	0.6
283.22934	0.6
293.21317	23.1
294.21655	2.9
311.22369	100.0
312.22705	10.8
323.20374	0.5
325.21854	3.3
326.22180	0.5
341.21201	1.5
341.25037	0.9
367.22961	1.7
369.20752	5.3
370.21127	0.5
383.26056	3.3
384.26315	0.5
385.24078	1.3
409.23633	3.6
410.23724	0.5
427.24988	37.9
428.25403	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	427.25
Annotation	Graviphane
Peak:m/z	Relative Intensity
52.47448	0.4
57.03344	4.7
59.01270	6.1
61.98731	2.6
65.03862	2.2
67.01785	2.7
69.03315	0.5
71.01269	3.7
71.45808	1.1
72.99200	0.7
73.51965	0.4
81.03347	1.6
83.04936	0.5
89.04929	0.4
93.03368	1.5
93.64125	0.5
95.01299	6.4
95.04921	2.0
96.95920	1.1
97.02850	4.1
99.92513	0.4
108.02091	6.9
109.02885	8.0
109.06501	0.6
111.04433	1.1
115.00328	0.8
116.92813	0.4
121.02880	1.1
122.03674	2.0
123.04448	1.1
133.01405	0.5
134.03674	0.7
135.04466	4.4
137.02390	6.7
139.03961	0.7
146.03722	0.5
149.05978	1.0
151.03964	0.5
161.06010	0.7
162.06848	1.8
163.07619	1.5
167.14392	0.7
179.51164	0.4
195.13884	1.9
215.03459	0.6
259.17191	1.1
271.16974	0.7
273.18707	1.5
275.20132	2.2
287.20422	1.6
293.21353	2.5
299.20480	0.6
311.22369	24.5
312.22610	2.9
317.21359	0.5
325.21793	6.8
326.22336	1.2
327.19589	0.8
327.55344	0.5
331.23108	1.0
339.23407	0.6
341.21597	2.8
341.24371	2.6
351.19705	0.6
365.24927	0.7
367.22833	3.0
369.20810	14.0
370.21216	1.7
370.93918	0.5
383.26132	4.5
385.23822	2.5
409.24069	6.3
410.24472	0.6
427.25070	100.0
428.25391	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	427.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12326	0.3
59.01257	1.5
61.17604	0.4
61.98708	0.6
62.41863	0.3
67.14899	0.4
69.26621	3.4
71.01272	27.4
72.01593	0.5
72.99201	9.5
75.02747	0.3
87.00776	0.8
89.02350	0.4
94.92406	0.5
97.79006	0.3
99.92494	0.7
108.02040	0.4
113.09580	0.9
113.42742	0.4
115.00288	15.6
115.07540	0.7
115.91901	0.5
118.89903	0.6
121.02868	1.3
127.07538	0.4
128.08298	0.4
133.01360	9.0
134.89392	0.8
167.14342	2.3
183.13866	1.4
194.09647	0.5
195.13893	7.4
196.14331	0.4
211.13359	0.6
213.14926	0.8
213.79443	0.4
241.14635	0.4
242.15314	0.6
249.22261	0.5
265.21695	0.7
267.23169	0.5
283.22739	0.4
293.21277	6.2
294.21570	0.6
305.04941	0.4
309.20740	0.4
311.22357	100.0
312.22714	11.6
313.07562	0.4
321.24463	0.6
323.06018	0.8
329.21359	0.4
347.22437	0.6
365.23441	1.0
392.13025	0.8
409.22443	5.7
410.22702	0.8
427.10217	0.7
427.24319	5.8
428.24304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.8
61.98722	6.4
65.32903	0.2
69.89996	1.6
71.01276	20.2
72.98830	0.5
72.99203	5.8
78.95793	0.5
87.00788	0.5
92.92700	0.7
96.95898	0.6
99.00783	0.7
101.47350	0.3
111.08060	0.5
115.00298	4.0
115.01089	0.5
119.94608	1.0
125.09660	0.5
127.11217	0.8
129.09120	0.9
133.01355	1.3
136.01576	1.5
137.02390	4.3
141.09161	0.5
142.09914	0.4
151.11253	0.4
153.12788	2.2
163.07634	0.5
167.55406	0.2
169.12280	1.4
181.12312	7.5
182.12613	0.3
197.11877	0.6
199.13429	0.9
215.12825	0.4
216.79413	0.2
227.12914	0.3
228.13635	1.0
235.13629	0.3
239.23965	0.4
249.22247	0.5
265.21857	0.8
267.23334	0.8
275.20135	0.5
283.22873	0.6
293.21292	5.9
294.21613	0.7
309.20856	0.8
311.22375	100.0
311.82278	0.3
312.22717	10.9
317.76907	0.3
321.24677	1.3
329.17245	0.7
340.67944	0.3
347.22281	0.3
361.49814	0.3
365.23697	0.3
367.14899	1.3
409.22440	2.3
410.22815	0.4
427.22839	1.0
428.15216	0.3
428.23242	0.4
454.66541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2711
Annotation	Sargachromanol G
Peak:m/z	Relative Intensity
50.27180	0.2
50.79711	0.2
55.01775	1.9
59.01253	0.5
61.98711	0.3
69.90707	0.2
81.03352	1.6
82.08118	0.2
83.04908	1.1
87.00784	0.2
91.14326	0.2
95.04926	0.6
98.19735	0.3
122.03664	2.1
123.04452	1.1
125.02332	0.2
135.04457	2.3
136.05260	2.2
137.02397	0.3
137.06013	0.5
149.06029	3.8
150.06613	0.2
152.99467	0.3
163.07584	1.3
175.07608	0.2
177.09125	0.3
185.23053	0.2
191.10736	0.5
205.12354	0.5
219.13902	0.3
231.13947	0.3
259.17084	0.3
261.18619	0.3
273.18820	0.2
287.20197	0.5
299.20230	0.4
300.10611	0.2
313.21835	0.7
325.25433	0.2
327.23386	0.2
339.23190	0.5
339.27002	1.0
341.24991	1.0
342.25189	0.2
351.23413	0.5
355.22699	0.2
355.26550	2.4
356.26810	0.3
365.24896	1.2
369.24319	1.0
379.26587	0.6
381.28088	10.1
382.28537	1.7
383.25952	3.1
384.26251	0.4
407.25653	0.2
425.27075	100.0
426.27423	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	427.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	100.0
69.64899	30.9
69.65324	50.4
71.01295	56.0
73.02837	18.5
75.00754	16.7
85.02845	14.5
89.02355	37.0
93.03359	28.2
96.95923	73.4
98.95519	25.3
101.02390	16.5
109.02872	34.8
113.02386	41.3
123.00838	23.8
125.02389	32.0
135.04552	13.1
137.02379	91.5
139.03957	15.5
141.01932	12.3
149.02388	11.1
165.05547	12.6
167.03612	14.3
168.04352	13.5
179.03510	15.4
214.87814	12.4
251.92476	11.9
265.10794	22.8
305.06647	28.7
338.11938	11.5
427.10400	13.8
427.19882	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1983
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.01776	0.9
59.01268	12.3
59.98377	0.9
61.98721	2.3
71.01265	6.8
71.54058	1.6
72.99198	1.2
73.02867	1.2
78.95805	3.2
83.04935	1.7
85.02868	2.3
89.02343	4.3
96.95943	1.2
97.06494	1.0
99.04430	18.5
101.02356	3.0
107.23347	1.0
109.06548	1.0
111.04358	1.0
111.10696	0.8
113.02362	4.9
119.03417	1.8
121.76893	0.9
135.08112	1.3
162.58894	0.8
177.95270	0.8
177.96828	0.8
179.05603	1.0
203.14423	13.0
204.14801	1.5
221.15486	34.1
222.15793	2.7
247.13405	2.2
265.14523	100.0
266.14835	8.2
289.14545	2.5
292.37708	0.9
307.15637	3.3
336.64362	0.9
427.20392	2.2
439.18686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91759	0.3
55.16516	0.3
57.03336	0.5
59.01263	0.7
61.66561	0.3
70.68999	1.0
71.01275	31.1
72.01599	0.7
72.99204	9.1
73.93577	0.3
87.00769	0.7
95.04914	0.3
97.06500	1.1
113.09637	1.4
115.00293	13.6
115.07558	1.0
125.06010	0.5
125.09660	0.3
126.06771	0.7
133.00380	0.6
133.01357	7.8
133.63686	0.3
139.11220	0.5
141.09128	0.9
151.11246	0.4
165.12820	2.2
167.14340	0.8
175.11221	0.4
175.28171	0.3
181.12300	2.5
183.13902	0.7
193.12315	1.0
193.15945	0.5
195.13853	1.1
211.13480	1.6
213.15094	0.4
219.55923	0.3
221.15532	1.2
225.14711	0.3
237.14978	0.6
240.13666	1.2
240.93370	0.3
241.14417	0.6
247.20731	2.5
263.20071	0.6
273.18747	1.7
281.21317	0.9
282.21454	0.3
291.19736	21.5
292.20111	2.7
309.20795	100.0
310.03394	0.3
310.21127	12.9
363.21817	1.0
407.20834	3.9
408.21115	0.7
425.22095	2.6
426.22519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2343
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
59.01255	2.7
61.98715	2.1
65.03870	0.6
71.01255	0.6
71.58752	1.0
71.59141	0.6
78.95785	0.6
81.03352	2.2
88.26337	0.5
89.98614	0.5
93.03413	0.6
95.01283	0.8
99.92492	0.8
108.02081	1.3
109.02865	6.3
111.04425	1.7
118.89882	1.7
121.02867	1.0
122.03653	5.4
123.04458	4.3
123.92402	0.5
135.04474	5.8
137.02386	0.6
138.87593	0.5
140.85529	0.4
149.05978	0.8
150.03119	0.6
150.06761	0.6
154.02658	0.6
157.42490	0.5
163.03992	1.7
163.07591	1.4
164.04390	0.6
177.05470	0.8
189.96729	0.5
198.86058	0.5
199.98419	0.5
205.08769	0.5
271.17169	0.6
328.04153	0.6
329.21155	0.7
339.23346	6.7
341.21182	0.9
355.22849	1.4
360.18329	0.5
365.12076	1.0
381.24414	4.2
383.22354	22.1
384.22900	2.9
407.22287	0.9
425.14127	3.9
425.23447	100.0
426.09140	1.4
426.14807	0.7
426.23746	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	425.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80713	0.3
59.01268	100.0
60.01609	1.0
61.98726	1.1
63.07941	0.3
69.20826	3.5
71.01272	3.5
72.99196	0.5
85.36411	0.3
96.95940	0.4
98.20513	0.5
99.92502	0.6
115.00363	0.6
115.92025	1.4
116.92785	1.5
126.26440	0.3
133.01385	0.3
153.12822	0.7
155.10744	0.3
176.54543	0.3
181.12341	0.6
197.11772	0.3
207.13887	0.4
247.20784	0.7
263.14966	0.3
291.19745	7.5
291.23090	0.4
292.20181	1.0
292.94891	0.3
307.19418	0.6
309.20801	19.8
310.21191	2.4
407.12289	0.4
407.22382	0.4
425.23383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2709
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
51.31293	0.6
55.02561	0.7
57.23296	0.6
58.88882	0.6
59.01257	2.3
71.58752	1.0
78.95773	0.7
81.03343	6.3
91.05470	0.8
99.75296	0.6
103.05518	0.6
107.87804	0.6
108.02077	0.9
109.39221	0.6
111.95954	0.6
121.02838	0.6
122.03654	14.6
123.04469	7.9
135.04451	10.8
136.05185	1.2
148.28987	0.6
149.06046	1.3
153.16786	0.7
163.07587	1.1
174.52534	0.7
191.10799	0.8
196.16884	0.7
219.79729	0.6
287.20255	1.2
289.21707	0.8
313.21530	0.8
355.26538	2.9
365.24857	1.5
381.28183	4.7
382.28293	0.8
383.26120	2.9
384.26019	0.7
425.27087	100.0
426.21738	1.3
426.27420	19.0
437.60938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1957
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
59.01275	47.6
60.31554	6.5
71.01273	26.1
71.59743	7.4
71.60180	9.3
71.60549	7.5
78.95785	14.9
79.95611	11.6
83.01248	10.2
85.02829	9.3
87.00773	8.2
89.02338	14.5
89.65636	6.1
94.97942	6.9
96.95912	60.1
101.02344	9.8
103.17950	6.2
113.02372	11.5
137.02400	16.0
153.01930	6.9
157.12206	8.3
163.04097	7.2
191.03519	10.4
191.05586	8.4
203.03494	11.5
203.12862	43.5
219.06630	7.1
263.05603	30.5
328.05692	17.6
390.17212	7.0
425.09741	16.0
425.19678	100.0
426.19769	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	425.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.7
61.98709	0.5
69.48022	1.8
69.48454	1.8
71.01267	2.2
72.99207	1.7
73.02842	1.1
75.00771	1.0
78.95807	1.3
79.95632	7.7
80.96414	0.6
83.01311	0.4
85.02836	1.4
85.20872	0.4
87.00809	0.5
89.02344	0.8
93.03387	0.7
96.95917	100.0
97.95841	0.8
99.00778	0.5
101.02368	1.6
108.02074	0.5
109.02837	0.7
113.02391	1.0
120.37518	0.5
125.02385	0.6
129.05545	0.5
131.03409	0.9
137.02406	0.9
141.90619	0.4
142.88533	0.5
150.03157	0.6
164.04707	0.7
177.01897	2.1
181.08665	0.5
203.09288	0.6
205.04980	0.6
243.12845	0.5
255.06773	0.9
269.08417	0.7
300.10083	4.3
301.10870	1.5
312.10159	0.5
315.12494	2.5
345.13464	0.7
399.31824	0.5
414.46780	0.5
425.09274	36.4
425.15070	10.3
426.09637	5.1
426.15271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	19.9
60.66799	2.8
61.98724	3.7
69.30400	30.8
71.01270	14.5
73.02864	3.8
78.95797	4.0
79.95626	5.7
81.60683	3.9
85.02865	5.9
86.02460	2.8
87.00777	4.3
89.02364	8.6
96.95923	100.0
101.02351	10.5
113.02364	6.0
114.44145	3.4
125.02415	5.5
137.52539	3.2
159.13771	2.8
161.04584	4.4
162.94418	3.1
177.01917	30.2
191.05605	6.0
203.07285	3.3
217.12111	3.0
241.00247	5.6
330.03854	9.0
345.06204	6.1
365.21851	4.1
425.09436	19.1
425.19690	38.7
426.10342	4.0
426.19693	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	425.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.4
59.01253	0.9
70.86677	1.0
71.01273	23.3
72.01615	0.6
72.99202	6.7
83.04916	0.5
99.00786	0.9
109.06558	0.5
111.08075	1.4
113.09576	0.4
115.00299	4.7
127.11221	1.2
133.01360	1.3
150.73808	0.4
151.11192	0.7
151.79672	0.4
153.12788	2.6
155.10745	0.8
165.12727	0.8
167.10721	1.7
167.14355	0.6
169.12329	0.7
179.14439	0.9
181.12305	2.8
193.16063	0.4
197.11783	2.2
199.13399	1.0
207.13873	1.4
215.12953	0.7
226.12180	0.5
227.12894	0.6
247.20760	2.9
248.20856	0.4
263.20145	0.6
273.18790	2.0
281.21347	1.2
291.19736	22.2
292.20035	2.5
307.19333	0.9
309.20804	100.0
310.21149	12.4
319.22842	1.0
345.20636	0.5
363.21884	0.8
407.20828	1.7
425.22086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59813	0.5
57.03339	1.0
59.01254	1.8
61.98691	1.0
69.80987	2.4
70.90531	0.5
71.01274	35.1
72.01586	1.0
72.99204	11.0
78.95790	1.1
87.00788	0.7
96.95925	1.6
96.96867	1.3
97.02836	0.5
97.06472	0.8
98.20542	0.6
109.06512	0.7
110.03616	0.6
115.00292	12.7
125.05994	0.7
125.09650	1.9
133.01321	0.8
137.09604	0.4
147.57010	0.5
163.11278	2.6
165.12791	4.7
179.14394	1.2
181.12321	1.5
193.08351	0.5
193.15945	1.5
197.15485	0.5
209.11844	1.1
217.16052	0.6
223.13434	2.1
247.20735	5.2
248.20981	0.7
273.18613	2.1
291.19739	48.7
292.20090	5.6
309.20795	100.0
310.21179	12.5
353.56940	0.5
407.20850	6.1
408.21115	1.0
425.21860	4.8
426.22971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1859
Annotation	FR901483
Peak:m/z	Relative Intensity
50.36176	0.7
59.01277	3.7
60.69830	0.9
61.98712	8.7
71.01247	1.1
71.53791	1.2
72.59595	0.7
73.86030	0.8
75.00761	3.7
78.95799	48.5
79.95660	1.0
88.16411	0.7
90.97052	0.8
96.95918	82.8
96.96870	100.0
97.92989	1.6
99.00783	2.3
99.08096	0.7
99.92519	0.9
113.92586	1.4
114.93317	1.2
117.01881	1.0
120.20847	0.9
127.07607	1.2
129.09151	3.9
141.09123	2.1
148.37411	0.7
149.79146	0.8
155.10728	2.4
163.96817	0.8
171.10289	1.9
185.11815	4.8
197.11858	5.2
207.10069	1.2
209.11723	3.7
218.07748	0.8
239.06073	0.8
241.07614	2.2
247.02946	0.8
253.07655	4.3
255.09554	1.0
265.07605	0.9
283.08704	6.6
291.19812	1.6
294.07779	1.8
295.08743	7.9
296.08942	0.8
297.10196	1.1
307.19226	3.0
309.20822	3.5
311.22552	1.0
322.11279	1.4
325.20215	2.8
326.06839	2.9
327.21848	11.8
328.22147	2.4
331.18939	1.9
335.15424	0.9
347.15628	10.6
348.15863	1.8
365.16531	25.9
366.16763	2.8
389.12518	1.0
407.17706	7.7
425.18582	4.1
426.19745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09486	9.0
51.90451	8.8
53.55091	8.4
55.87677	7.3
59.01259	30.3
59.73520	8.0
61.98704	13.2
71.01277	23.1
71.31356	8.0
71.51929	11.2
73.18545	7.9
75.00765	18.5
81.17360	7.4
82.91479	7.3
85.02864	10.4
91.47169	10.3
96.00844	15.5
96.95917	100.0
101.02363	15.3
106.08308	8.7
113.02345	14.6
134.03661	12.6
147.04494	15.5
149.06026	13.3
188.07149	50.2
206.08345	9.3
227.52994	9.5
241.00266	63.0
245.04694	12.4
250.62242	9.4
328.05954	40.2
425.10782	36.3
425.19751	67.5
426.20129	12.9
447.61563	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	425.196
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
52.31440	8.8
59.01265	29.2
69.22565	56.2
69.22997	54.5
71.01265	41.8
72.72189	8.9
79.95631	9.4
89.02366	10.1
96.95912	54.1
101.02350	11.9
117.05503	12.6
117.97198	18.9
128.03433	11.4
181.08690	24.9
188.07152	42.0
316.67197	9.5
386.73361	11.2
425.10895	11.4
425.19617	100.0
426.19882	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	425.1828
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
51.52252	1.3
57.03348	2.4
59.01264	9.3
67.99412	1.1
69.45017	8.9
69.75141	1.0
71.01268	11.2
75.70119	1.1
79.05439	1.4
81.03362	1.1
83.04909	1.9
85.02419	1.1
85.02819	5.2
89.02346	1.9
95.01295	2.9
95.04964	1.6
96.07124	1.0
96.95916	5.8
97.02873	9.3
97.06509	2.3
101.02374	3.1
105.06999	2.3
107.04947	3.4
108.02068	1.4
108.05698	6.0
109.02878	5.5
109.06516	3.9
111.04428	7.2
111.08076	2.1
113.02363	7.9
113.05990	8.7
119.04892	2.0
119.08578	2.0
121.06527	1.6
122.03690	5.0
123.04428	2.4
123.08109	7.1
125.06007	14.6
131.03691	2.1
135.04420	2.6
136.04320	1.4
136.05228	7.5
137.05963	3.7
138.06804	11.4
139.07584	31.8
145.06516	1.8
148.05225	3.5
149.05998	2.1
151.07594	58.3
152.04730	6.1
152.08385	29.1
153.09171	13.4
159.11728	3.2
161.02460	1.4
161.09639	6.1
162.10216	1.3
163.03979	1.2
163.07568	6.6
165.09155	2.5
167.07068	4.3
170.05753	1.7
175.11201	1.5
177.12820	1.6
185.09698	2.0
186.10522	2.2
189.05551	3.1
189.09189	3.1
201.12817	21.3
202.13281	1.7
203.10768	9.7
204.11533	37.1
205.11954	1.5
219.13913	59.6
220.14174	5.4
228.11555	2.4
243.13928	4.7
245.11836	12.6
262.73035	1.1
263.12933	100.0
264.13324	10.0
287.12936	10.8
288.13382	1.4
305.14041	5.8
425.14389	2.8
426.02103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02401	0.5
59.01270	100.0
60.01616	1.1
60.71199	0.7
61.98723	27.2
61.99049	1.4
71.01286	0.8
71.22601	0.5
71.62074	0.7
71.62405	0.7
78.95818	0.7
96.95919	0.8
118.89919	0.6
121.96027	0.5
125.07188	0.6
125.58741	0.5
128.96342	0.7
142.67093	0.7
147.03232	0.8
210.49001	0.5
226.52187	0.7
424.25867	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0198
Annotation	Axillarin 7-sulfate
Peak:m/z	Relative Intensity
51.81706	0.8
57.44965	0.8
59.01270	6.5
64.26850	0.8
65.92906	0.7
66.48142	1.0
70.62074	1.9
70.62463	1.8
71.01283	2.5
73.02861	1.1
78.95806	3.0
79.95654	2.1
81.95193	2.1
83.02409	0.9
85.02876	1.7
91.97373	0.8
96.95950	2.2
96.96854	1.7
101.02365	2.1
110.07806	0.8
113.02351	1.6
114.05500	1.7
121.02920	1.4
123.45782	0.8
143.05034	0.9
151.00323	2.2
161.04526	0.9
191.10725	1.0
201.12982	1.6
203.03479	2.4
203.72157	0.9
215.03517	3.7
223.49617	0.9
231.03026	3.7
243.03065	6.8
244.03476	1.0
245.11765	2.0
259.02539	10.6
263.12949	3.5
271.02570	13.9
272.02924	2.2
287.02051	24.8
288.02148	1.3
292.18417	1.4
301.03513	1.0
315.01553	59.2
316.01880	5.9
330.03900	83.8
331.04205	8.4
343.15601	1.1
345.06253	100.0
346.06635	13.8
381.23059	1.1
389.13550	1.0
424.22705	1.7
425.01968	23.8
425.10861	4.5
425.17651	2.0
425.22949	2.3
426.02402	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	425.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87831	0.1
56.84328	0.1
59.01258	0.5
69.47135	1.0
71.01262	0.3
75.00783	0.2
78.95805	0.4
79.95631	5.3
80.96428	0.1
89.02303	0.1
93.03388	0.1
96.95918	100.0
97.95852	0.4
101.02327	0.2
102.90979	0.1
108.02066	0.3
109.02885	0.2
110.97481	0.2
119.05036	0.1
121.02863	0.1
121.25463	0.1
123.00812	0.2
123.04399	0.2
124.01586	0.2
134.03680	0.3
135.04520	0.2
136.01570	0.1
137.02399	0.8
145.02966	0.1
149.02313	0.2
150.03252	0.2
151.03885	0.3
152.99550	0.3
163.03908	0.3
165.01871	0.3
165.05464	0.1
166.02621	0.2
167.03288	0.1
176.01051	0.1
177.05560	0.2
178.02660	0.5
179.03354	0.1
180.72925	0.1
185.06071	0.1
189.56970	0.1
193.05040	0.1
212.03220	0.1
213.05528	0.4
224.04828	0.2
241.00175	0.3
241.05095	1.4
242.05763	0.3
245.04703	0.1
253.05147	0.2
256.07498	0.4
271.09799	0.1
285.04108	0.2
286.04654	0.2
297.04190	0.1
300.06506	1.2
301.07108	0.5
315.08810	0.6
331.08359	0.2
344.06302	0.2
345.09790	0.3
425.05585	32.8
426.05930	4.0
426.11841	0.2
434.08130	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	425.0927
Annotation	8-Deoxy-15-(3'-hydroxy-2'-methyl-propanoyl)-lactucin-3'-sulfate
Peak:m/z	Relative Intensity
59.01268	0.7
59.86227	0.1
61.98709	0.2
71.01263	0.3
71.12414	0.2
79.95630	6.9
80.96400	0.4
82.14196	0.1
95.95100	0.1
96.95916	100.0
97.95837	0.3
98.25368	0.1
101.02374	0.3
108.02100	0.3
109.02827	0.3
110.97483	0.5
121.02866	0.3
123.04443	0.3
125.02314	0.1
135.04469	0.2
136.25479	0.1
137.02365	0.9
140.41374	0.1
149.02374	0.3
150.03171	0.5
164.04724	0.2
165.05495	0.5
167.07097	0.3
176.01108	0.2
177.01897	0.3
181.04953	0.2
181.08644	0.5
193.08769	0.2
207.06631	0.2
209.08177	0.4
221.08238	0.4
227.03560	0.2
227.07185	0.2
240.04305	0.2
244.00494	0.5
245.01331	0.7
255.06717	0.7
258.08969	0.2
269.08267	0.4
283.09866	0.3
286.08554	0.5
287.09305	0.2
299.09003	0.2
300.10104	3.5
301.10818	1.7
312.10110	0.3
315.12436	2.6
316.12604	0.3
327.12625	0.2
345.13525	1.2
365.22021	0.2
425.09232	43.5
426.09531	5.7
426.15335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52090	0.6
59.01264	1.5
65.72440	0.5
65.96158	0.5
69.02566	0.5
69.20065	4.9
69.20483	1.7
71.01270	2.0
76.40015	0.6
78.95799	52.7
79.95622	2.4
89.49261	0.6
96.95915	63.7
96.96865	100.0
97.93029	0.9
114.93314	1.1
152.99579	0.7
158.56657	0.6
185.11861	0.6
209.11870	1.9
241.00066	0.6
255.30261	0.6
265.07611	0.7
283.08704	1.1
294.08124	0.7
297.06616	1.6
307.19080	2.9
325.20386	3.7
326.06866	3.4
336.08682	1.1
345.13904	1.3
354.10056	8.5
363.14896	4.1
387.11282	0.9
401.09045	0.6
405.16199	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1802
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
50.75311	6.7
55.29834	7.0
57.03342	9.1
59.01269	93.3
61.55971	6.8
61.98726	15.8
71.01272	71.6
71.60219	9.5
73.02839	23.9
78.95795	11.5
81.74295	7.7
83.01283	10.2
83.19607	6.2
85.02841	44.4
89.02342	38.0
96.95944	26.4
99.00781	12.6
101.02359	62.8
101.76308	7.1
113.02377	37.3
119.03432	18.5
121.61458	7.5
125.02366	10.8
125.09676	20.2
161.04546	32.0
187.09705	17.4
225.11363	10.2
243.08434	14.9
261.04172	19.3
261.20627	8.4
270.90039	7.2
283.81750	7.8
285.04214	16.1
296.49088	8.8
363.20013	12.4
397.05338	7.7
423.07910	16.4
423.18106	100.0
423.26016	84.2
424.26166	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	423.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43929	5.3
53.56424	6.9
57.03328	7.5
59.01260	42.1
61.98709	16.3
69.03321	5.1
69.92366	34.3
71.01274	20.8
72.02058	12.8
73.02847	9.4
78.95763	5.3
79.95645	5.1
80.91573	19.2
84.02047	24.0
85.02844	17.2
95.04906	8.8
96.95930	8.6
97.02867	13.9
97.06488	43.2
98.19859	7.2
99.00784	49.5
107.04922	12.3
111.08079	6.9
123.08121	7.2
125.06011	79.5
125.09662	13.5
126.06307	9.2
127.07582	43.0
135.08142	6.6
139.07631	11.0
141.09123	31.1
146.20723	6.1
151.07562	10.4
151.11320	8.8
167.10713	8.4
169.08665	73.5
171.10268	45.3
193.08456	96.8
193.12300	11.5
207.10054	23.2
209.07938	9.7
209.11842	31.3
219.10083	42.1
223.09595	37.6
231.10068	8.4
233.11568	16.8
235.09557	19.2
237.09718	9.0
243.15999	7.7
247.09605	42.0
248.10159	6.8
249.11064	24.5
264.09778	16.3
276.09827	38.3
277.09439	13.8
294.10379	5.5
323.08038	6.8
341.23373	100.0
342.23544	13.3
345.16095	10.2
363.15793	5.9
363.20999	18.2
407.20642	7.7
423.17233	6.7
423.23883	23.1
442.52060	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	424.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09702	0.1
59.01264	3.0
61.18680	0.1
64.01797	0.2
69.68044	0.5
69.68472	0.4
71.01278	1.5
71.88840	0.1
72.99210	0.2
76.01814	2.3
78.95796	28.3
79.95651	0.6
79.96069	0.1
85.02827	0.4
87.00769	0.2
89.02337	1.6
90.03382	0.2
95.01286	0.2
96.95948	7.9
96.96863	54.0
98.19814	0.1
101.02355	0.6
111.00779	0.2
113.02375	0.4
118.02905	23.7
119.01308	0.6
119.03278	1.3
119.04951	1.8
120.05280	1.5
125.02309	0.2
135.04427	0.2
146.02415	100.0
147.02768	5.1
161.04492	0.2
163.03964	0.5
164.04327	0.7
165.16980	0.1
179.05595	0.7
181.05101	0.3
182.05305	0.2
191.05594	1.7
199.00700	0.5
200.01004	0.5
214.00465	0.2
215.00121	0.3
216.00514	0.3
241.00291	0.2
254.66132	0.1
262.01154	0.3
277.03372	1.1
322.61206	0.1
360.63174	0.1
382.15616	0.1
424.06326	2.1
425.05994	0.4
425.11166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10880	0.8
51.58551	1.0
56.59343	0.8
58.02871	4.9
59.01265	8.4
59.48549	0.8
60.62384	0.8
70.08282	3.6
71.01276	2.3
74.02371	10.1
82.02902	1.0
86.02393	4.4
87.05534	2.5
89.02351	2.2
90.00077	1.0
96.95922	3.5
96.96912	1.0
97.03992	1.1
98.17310	1.0
99.05547	7.6
100.60174	1.0
101.02355	1.2
101.07094	1.5
109.02876	1.3
109.04012	1.5
112.03959	1.5
124.04004	0.9
125.02394	7.3
127.05099	1.5
128.03465	28.8
133.31068	0.8
135.05603	2.5
136.19678	1.0
137.02437	0.8
137.05951	0.8
141.06595	2.6
143.04572	44.8
144.04936	1.3
145.06161	2.5
145.07576	0.9
146.04517	3.2
149.02368	1.3
150.03152	1.1
153.06648	2.7
160.00699	12.3
165.05507	1.0
166.09854	2.3
167.04572	2.8
170.03229	1.1
170.30815	1.0
177.03380	5.2
179.04584	8.1
185.05675	1.6
192.07823	1.2
195.06531	1.8
197.05672	0.9
198.08772	1.0
208.99113	1.4
210.08858	8.8
210.23859	0.8
242.07845	1.3
254.07849	11.1
272.08960	21.6
273.09198	1.4
287.07724	1.0
288.06586	8.5
306.07739	100.0
307.08020	7.2
363.16736	1.8
404.15002	3.1
422.07941	1.7
423.09586	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	423.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	6.6
64.56261	0.5
69.77522	2.4
71.01271	4.0
72.99206	1.4
74.30846	0.3
75.00771	0.8
76.01820	1.3
78.95801	19.2
79.95630	6.1
80.91586	1.7
80.96439	0.4
85.02849	1.2
87.00777	0.8
89.02339	4.6
89.96701	0.4
93.03397	1.2
94.74924	0.4
95.54843	0.4
96.92081	0.4
96.95943	8.7
96.96866	56.6
101.02370	2.6
107.04971	0.4
111.00784	5.1
113.02377	1.6
118.02911	15.4
119.04950	56.3
119.69008	0.4
120.05266	2.2
135.04453	7.3
136.04794	0.7
146.02420	100.0
163.03966	27.7
163.05373	0.9
164.04308	1.1
177.05611	0.5
179.05563	1.3
181.05043	11.5
182.05338	0.8
182.57483	0.4
191.05551	4.3
199.00685	29.3
200.01007	1.2
212.42879	0.4
215.00194	14.8
216.00470	0.6
217.01701	3.3
217.05199	5.1
223.06215	0.9
233.04662	0.4
242.99745	3.1
245.02881	0.4
259.06458	0.6
261.00784	10.2
262.01154	0.4
275.17279	0.4
277.03455	2.0
280.81564	0.4
343.10406	4.8
344.10620	0.7
423.05978	90.0
424.06351	10.8
424.11612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
58.00484	0.6
59.01268	13.9
59.34968	0.4
70.55289	1.2
71.01274	11.3
72.99211	0.5
73.02845	2.1
81.03338	0.5
83.01273	1.4
85.02852	3.3
87.00790	1.3
89.02341	10.7
95.01292	1.3
97.02824	0.4
99.00774	1.4
101.02356	7.5
105.02081	0.4
107.01308	1.1
109.02853	1.1
113.02356	5.3
117.02123	1.0
118.02132	0.5
118.02905	4.9
119.03419	4.5
120.04461	1.3
123.00795	1.4
125.02345	0.9
133.01599	0.8
135.00810	9.1
136.01546	0.5
143.03410	0.7
145.01668	0.8
146.01259	0.5
146.02420	8.7
147.03200	66.0
148.03555	2.6
149.02423	0.4
153.01918	2.8
159.03230	0.6
161.01155	2.5
161.04500	1.8
162.01921	100.0
163.02296	4.6
176.03459	0.5
178.04756	0.4
179.05576	2.8
185.57573	0.4
187.07605	1.0
200.04384	0.4
207.02982	0.5
213.08017	0.4
215.07164	3.7
237.04073	1.5
242.08324	1.9
264.05078	0.5
281.72446	0.4
291.18234	5.6
297.06244	2.9
324.07303	0.8
325.08008	2.0
423.22452	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	422.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.9
59.01266	15.5
60.01595	0.4
65.18936	0.4
70.75410	0.3
70.79610	1.3
71.01273	12.2
72.99182	0.7
73.02841	0.6
74.32439	0.4
81.03358	1.0
81.77608	0.3
83.01284	0.6
85.02846	2.4
87.00793	0.9
89.02342	13.7
90.02702	0.4
95.01304	0.8
96.95910	3.4
98.95438	0.5
101.02345	5.5
107.01308	1.2
109.02877	2.1
113.02359	6.3
113.03080	0.7
118.02915	2.9
119.03426	5.5
120.00802	0.4
122.02412	0.4
123.00819	1.2
125.02369	1.5
131.03543	0.5
133.01602	0.6
135.00818	9.8
136.01605	0.5
137.02391	0.7
143.03459	0.9
145.01607	0.4
145.02910	0.6
146.02443	5.7
147.03214	28.9
148.03575	1.5
149.02435	0.7
149.04471	0.8
153.01891	4.7
157.05237	0.5
161.01146	5.2
161.04515	1.2
162.01930	100.0
163.02278	4.4
163.03735	0.5
165.49394	0.4
176.03513	1.3
177.01921	1.0
177.56177	0.3
179.05582	3.2
185.04858	0.4
187.07620	0.7
196.62148	0.4
204.61015	0.4
213.07919	0.7
214.08878	0.4
215.07126	3.4
224.07121	0.6
237.04088	2.2
242.08295	1.5
264.05215	1.5
267.75995	0.4
297.06216	6.2
298.06821	0.5
324.07297	2.1
325.08023	0.9
422.21033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	11.9
61.98712	4.4
63.34816	3.7
68.97932	3.2
71.40506	8.6
72.09241	3.2
72.99176	3.1
75.49441	3.3
78.95808	4.9
83.00428	3.7
88.98714	14.8
96.95910	5.5
97.02850	4.3
111.00764	5.3
121.02881	100.0
122.03214	38.4
163.69131	4.0
166.37358	3.9
192.75085	3.7
236.60518	3.5
262.11938	5.0
406.25870	3.6
406.70557	4.2
421.23364	3.9
421.28003	78.5
422.27985	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	421.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	3.7
57.87266	1.7
58.04810	1.7
59.01268	13.3
61.98713	2.5
69.03369	1.8
69.47520	11.6
69.47931	4.0
78.95819	3.0
80.02544	1.9
81.03365	3.8
83.04904	2.5
95.04928	3.7
96.95918	3.4
97.02865	3.2
97.06520	3.6
104.13454	1.9
109.02896	1.9
113.06004	46.8
121.06495	1.9
123.04494	3.2
123.08088	2.5
125.02306	2.1
125.09640	8.0
127.07558	3.4
135.08087	4.5
137.09624	4.4
152.99515	4.4
153.09145	7.9
163.11189	8.5
165.12804	2.5
171.10207	11.3
181.12202	2.2
185.11826	13.8
186.12250	2.0
191.14397	12.0
197.11777	5.5
207.10245	7.2
209.11818	20.1
210.12178	3.5
217.15981	3.2
225.11293	4.6
231.13902	2.3
233.15674	2.2
245.19141	28.6
246.19418	3.8
248.66040	2.0
271.16986	3.3
289.18198	97.0
290.18390	11.2
307.19241	100.0
308.19318	9.7
325.20294	39.3
326.20734	4.3
359.25845	9.4
403.24854	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	421.2607
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03333	1.4
59.01263	5.3
61.98708	2.4
65.03861	0.6
69.03342	1.8
70.07713	2.2
70.08086	1.0
78.95786	1.3
81.03347	0.9
83.04918	6.4
85.06482	2.5
89.05389	0.5
91.05411	0.5
95.04883	1.1
96.95914	1.5
96.96858	2.3
97.06487	3.1
103.02901	0.5
107.04921	0.8
109.06507	1.8
111.08088	2.8
119.04937	1.0
123.08067	1.8
125.09641	8.3
133.06448	0.5
137.09651	1.2
147.08141	0.5
151.07675	0.6
151.11227	0.9
155.10728	0.7
163.11253	0.6
167.10686	0.6
171.08759	1.2
171.10226	18.6
172.10593	0.8
185.11771	1.9
187.14891	2.0
189.16405	0.9
198.16614	0.5
203.14311	1.0
205.15962	3.1
209.11772	2.9
211.13397	5.3
212.10783	0.8
213.14903	0.7
215.14381	2.0
221.15485	1.9
231.13928	2.1
232.14337	0.7
233.15482	26.1
234.15881	2.4
239.16638	1.0
239.33086	0.5
249.14998	10.0
250.15482	1.1
251.16591	1.2
252.13626	1.4
257.17599	1.7
323.23746	0.6
331.26456	1.6
341.24780	2.6
359.26053	1.9
361.13550	0.9
367.22870	1.5
375.25467	1.6
377.27008	1.4
385.24036	4.5
386.24359	1.0
393.26422	1.6
403.24973	47.3
404.25430	7.3
421.26071	100.0
422.26471	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	421.2609
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03340	8.5
58.82972	0.2
59.01257	0.9
61.98727	0.3
65.00196	0.4
71.01283	0.4
77.43445	0.2
78.95786	1.5
81.03343	1.6
83.01285	8.7
98.19766	0.6
121.02874	0.6
123.04419	0.9
125.02373	100.0
126.02699	3.5
139.40910	0.2
149.02408	0.9
151.00293	0.5
152.99513	2.7
155.28201	0.2
167.03496	1.2
253.21944	0.3
277.21759	0.7
295.22910	2.9
403.24933	0.6
421.26096	13.0
422.26398	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	421.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.9
63.99311	0.7
71.56142	0.8
72.99194	3.7
78.95801	4.5
96.95899	1.0
96.96818	0.7
97.06490	3.8
99.08063	8.1
113.09663	1.9
125.06011	36.2
126.06365	1.1
127.07549	3.6
138.61423	0.7
143.07079	57.5
144.07436	1.8
145.08643	29.8
146.09000	1.5
152.99525	4.7
153.01849	1.3
171.00610	3.1
179.14424	1.2
195.13876	16.3
196.14442	1.0
216.73680	0.7
223.13409	2.5
265.21835	1.3
275.20190	1.8
277.21771	12.3
278.22168	1.4
286.67868	0.7
293.21307	55.2
294.21701	5.8
295.22852	100.0
296.23151	10.1
296.26263	0.7
421.22610	3.9
421.29758	14.3
422.30002	2.9
432.69635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40210	0.5
59.01268	17.0
60.39677	0.5
61.98717	0.7
67.72345	0.5
70.79554	1.4
71.01274	11.8
72.99224	1.1
73.02834	1.0
79.95615	0.5
81.03378	0.7
85.02842	2.8
87.00758	0.9
89.02341	15.7
95.01307	1.3
96.95962	0.6
99.00790	0.8
101.02346	6.7
107.01300	2.6
109.02860	1.5
113.02383	5.9
118.02908	3.0
119.03410	5.4
123.00813	1.7
125.02370	1.6
131.03487	0.8
133.01567	0.5
135.00818	10.0
136.01579	0.7
143.03435	1.0
146.02422	5.9
147.03207	30.2
148.03571	0.9
149.04477	0.5
153.01888	4.6
159.03186	2.3
161.01155	6.8
161.04549	1.8
162.01926	100.0
163.02274	3.8
176.03586	0.9
179.05545	3.6
187.07603	1.6
199.02661	0.8
213.07886	1.1
215.07152	3.9
218.95851	0.6
233.45589	0.6
237.04041	2.4
242.08188	3.0
264.05252	0.7
297.06271	5.3
324.07336	1.8
325.08124	1.0
422.10086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81104	0.1
59.01250	0.2
60.54908	0.1
62.96290	0.3
71.33299	0.3
71.54967	0.1
78.95796	48.9
80.96414	1.0
96.95905	0.3
96.96866	6.2
135.29031	0.1
146.78465	0.1
150.97943	1.9
152.99532	100.0
153.99878	1.7
171.00606	4.0
171.02090	0.2
253.45287	0.1
267.23383	1.0
344.67963	0.1
386.17807	0.1
417.46509	0.2
421.23651	8.1
422.23837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1646
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
51.25716	4.7
57.69065	4.5
59.00996	5.7
59.01272	100.0
61.98721	10.1
70.77854	4.1
71.01274	33.8
71.61768	4.7
71.62205	5.5
75.00768	5.7
82.59686	4.3
85.02840	7.5
87.00754	7.6
88.05598	4.5
89.02345	16.0
95.01296	5.0
96.95907	10.3
101.02335	12.6
107.22869	4.6
113.02364	9.3
119.03452	9.5
119.65463	4.4
125.02385	7.5
137.02357	9.6
149.02356	5.8
150.03175	7.3
151.03990	4.6
155.10680	7.6
161.04553	9.5
162.01945	8.2
165.05560	5.1
181.05168	5.9
191.07112	6.2
199.09752	6.5
209.04649	4.5
215.07201	10.4
217.10799	6.3
242.08273	18.3
254.03137	4.3
340.08368	4.9
361.14963	8.1
391.14352	6.0
421.07941	6.1
421.16245	67.5
421.20865	6.4
422.16400	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	421.1645
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
54.14071	2.2
59.01265	17.4
69.95942	2.6
70.39447	8.1
71.01269	8.5
82.42326	2.4
85.02853	2.7
89.02325	7.2
95.01305	4.0
96.95921	8.4
101.02370	5.1
108.61195	2.2
112.51006	2.7
113.02363	3.4
123.00812	29.5
124.01589	15.8
125.02375	7.7
149.99533	4.1
151.00363	2.8
165.01895	2.2
170.21635	2.3
177.05524	19.8
180.99582	4.6
186.66847	2.5
191.03398	4.4
203.07092	5.8
207.01262	3.6
208.99063	10.0
220.07471	5.2
221.08156	10.2
249.02264	3.8
259.06082	4.3
259.15475	8.8
277.18375	2.4
283.02417	3.8
313.05521	3.1
317.01331	13.8
367.74203	2.9
383.13644	23.4
404.04669	12.4
421.11905	5.0
421.16354	100.0
421.20905	9.5
422.16592	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	421.1882
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
59.01262	4.6
67.01794	0.3
69.03345	0.7
70.94067	0.6
71.01265	1.9
73.02823	0.3
81.03354	1.0
83.01271	0.4
83.04897	0.3
85.02856	0.8
89.02334	1.5
93.03370	0.4
95.01308	0.7
95.04955	0.5
96.91179	0.2
97.02850	1.0
97.44651	0.3
101.02356	0.8
108.02071	0.9
109.02866	5.9
109.31213	0.2
111.00777	0.3
111.04440	0.7
113.02377	0.5
119.03413	0.7
119.04929	0.6
119.73794	0.3
121.02866	0.7
121.06567	0.4
122.03666	0.3
123.00813	0.9
123.04424	1.0
124.01593	7.5
125.02380	11.2
131.05025	0.3
133.06493	0.3
135.00800	0.7
135.04468	0.8
136.00647	0.2
136.01575	1.3
137.02385	33.6
138.03198	11.3
139.00360	0.4
139.03955	15.0
140.01093	0.5
140.04326	0.5
145.02878	1.1
147.03210	2.2
147.04434	0.9
149.06039	1.1
150.03217	1.2
151.03963	10.6
152.04758	6.7
153.01874	0.9
153.05537	2.6
154.02663	0.5
159.04483	0.6
161.01131	0.7
161.02435	0.5
161.06010	0.5
162.01918	7.6
162.03197	2.7
163.03975	4.4
164.04736	2.9
165.05553	3.4
165.09914	0.2
165.62909	0.2
166.02692	1.6
166.06282	1.1
167.03362	0.3
167.07123	0.7
170.02190	1.6
174.03223	0.4
175.03957	3.4
176.04781	2.9
177.05548	8.7
178.06033	0.4
179.03479	2.9
179.05695	0.5
179.07079	1.5
180.02654	0.5
180.04254	10.9
181.05034	15.2
182.05356	0.8
184.03751	3.0
185.11826	0.3
188.04779	0.8
189.05568	1.8
190.06320	1.9
191.07114	2.4
192.04243	0.3
193.05051	1.9
194.05840	9.0
195.06619	29.8
196.06934	1.3
198.05388	0.5
203.07140	0.4
205.05083	1.0
205.08713	1.0
206.05780	2.2
207.06631	7.1
208.07289	1.2
209.08194	6.4
210.08580	0.5
215.07143	0.8
218.05779	0.5
219.06706	0.4
220.07320	0.5
221.08131	1.4
223.06215	0.3
224.06966	0.5
225.07741	0.4
233.08284	0.5
235.09842	0.3
235.90979	0.3
236.06898	1.1
237.07690	1.7
238.08417	1.0
238.47038	0.2
239.09317	0.8
251.09433	0.3
253.10854	1.1
284.05615	0.3
285.07483	0.3
297.05994	0.7
313.10623	0.3
331.11993	1.1
333.13535	0.5
343.11914	1.6
345.13632	0.5
346.10300	0.3
361.13004	14.2
362.13321	1.8
364.54059	0.3
373.12991	1.1
375.14575	3.4
376.15128	0.3
391.14087	18.0
392.14517	2.4
405.15900	0.7
406.16428	26.2
407.16797	3.3
421.18796	100.0
422.19138	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	421.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03336	1.4
59.01271	4.4
63.83482	0.6
64.35661	0.6
68.99681	1.2
69.47154	4.2
71.01271	10.7
73.02838	2.7
81.99873	0.6
83.01281	2.7
85.02842	4.2
89.02359	1.2
93.03358	29.6
93.76875	0.5
94.03695	1.4
95.01294	4.6
96.99239	1.0
98.20574	1.2
99.00796	0.8
101.02346	8.2
108.02106	1.4
113.02359	4.8
116.24185	0.6
117.26351	0.6
117.27315	0.5
117.76310	0.6
121.02863	2.0
122.99497	0.9
123.00809	45.5
124.01595	48.8
125.02319	4.1
129.97403	0.5
135.04460	0.7
136.01582	4.3
137.02386	61.4
138.03214	15.2
139.03952	27.9
140.04295	1.3
147.04518	1.3
149.02393	0.8
151.03935	1.3
161.04532	1.4
167.03487	0.6
170.20084	0.6
179.03497	1.0
181.05150	1.1
191.03349	1.0
193.05051	0.7
208.90929	0.7
221.04561	1.0
242.08316	1.0
281.06741	78.0
282.06976	5.9
421.11517	100.0
422.11844	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	421.1154
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.51031	0.5
59.01270	4.5
61.98710	0.5
68.99692	0.6
69.03342	1.0
69.49295	0.4
71.01277	2.6
71.52556	0.6
73.02845	0.5
75.00778	0.5
79.01789	0.8
79.64797	0.4
81.03372	0.8
83.01279	1.3
85.02850	1.6
87.00746	0.4
89.02327	1.6
93.03363	0.6
95.01290	25.6
96.01608	0.7
97.02857	1.1
101.02353	2.2
107.01304	5.4
107.04901	0.6
108.02131	0.5
109.02863	1.2
111.00758	0.6
111.59191	0.4
113.02361	0.7
119.03466	0.6
121.02870	1.8
123.00808	24.9
124.01617	5.9
125.02376	5.7
135.00778	0.9
137.02412	2.6
141.01849	2.5
147.03198	1.3
149.02379	2.0
149.99535	100.0
151.00336	20.0
151.03951	0.8
152.01106	3.4
153.01855	0.8
161.02376	0.5
162.01910	2.7
163.00330	0.7
165.01889	2.4
165.05548	0.5
166.99823	10.8
168.00526	0.5
169.01382	13.8
177.05446	0.5
179.03458	0.5
179.86418	0.5
185.11639	0.5
193.01399	9.8
205.01376	0.6
219.49968	0.5
242.08273	1.4
257.04562	1.0
258.05365	6.8
259.06165	13.6
260.06439	0.8
275.14926	0.7
311.89172	0.5
311.92612	0.5
313.05740	26.1
314.06091	1.6
421.11526	56.0
421.20728	1.8
422.11847	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	421.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92428	0.4
56.16070	0.4
59.01272	6.0
60.99966	0.4
61.98718	2.0
67.01789	0.5
69.03359	0.6
71.01277	1.6
71.55949	0.7
78.95796	7.2
80.31672	0.4
81.03358	2.6
81.06898	0.4
85.02853	0.9
88.98729	0.5
89.02335	1.0
93.03345	1.1
95.01300	3.4
96.95925	1.1
96.96873	2.1
97.02847	1.0
101.02367	1.3
105.03392	1.5
107.01303	2.5
108.02072	0.6
109.02848	1.1
111.00833	0.5
111.04443	0.5
113.02325	0.9
121.02865	2.1
123.00813	2.5
123.04515	0.6
124.01599	1.2
125.02370	7.1
133.02849	0.7
135.04468	0.8
137.02386	2.7
141.01833	0.8
149.02344	1.2
149.99533	73.5
151.00337	10.4
163.03955	0.6
165.01886	1.3
165.05479	0.4
169.01367	1.1
177.01918	0.7
193.01401	1.6
203.10780	0.7
209.11819	0.6
221.11867	0.5
223.09769	1.5
227.09129	0.6
241.18033	0.6
249.15047	0.6
259.19058	0.9
313.05728	100.0
314.06079	8.6
331.06717	1.4
377.25705	0.6
421.24658	4.3
422.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85155	0.3
59.01262	3.4
60.01569	0.4
61.98720	100.0
69.45356	2.5
71.01286	0.9
72.99200	0.3
75.66911	0.3
77.25457	0.3
85.02840	0.4
89.02348	1.1
91.02768	0.3
96.95928	1.0
101.02390	0.7
108.02116	0.3
109.02833	0.4
113.02354	0.3
119.03465	0.6
126.38199	0.3
137.02441	0.3
200.69814	0.3
209.04735	0.3
251.05710	0.3
274.44296	0.3
360.16449	0.7
420.09232	0.3
420.18304	0.5
421.11856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10345	0.4
59.01263	2.1
61.98704	0.7
62.95732	0.5
63.96122	0.6
70.51775	1.6
71.01273	7.1
72.99196	0.5
73.02838	1.7
78.98490	5.3
79.95629	7.2
80.96414	51.2
81.03325	0.9
85.02849	2.6
87.00777	2.0
89.02329	1.1
94.97993	13.3
96.95895	1.1
97.02867	1.1
99.00726	0.5
101.02349	2.0
106.97983	2.6
113.02370	0.6
121.02882	6.7
122.97506	2.5
125.02378	2.0
127.03967	0.8
134.97527	4.2
136.99059	0.7
143.04546	0.7
148.99094	4.3
149.09715	0.8
151.00810	0.4
152.98599	4.9
164.98607	7.6
167.10796	0.9
206.99706	2.1
225.00766	10.5
259.15677	0.5
299.04517	4.9
306.07755	1.4
342.71609	0.5
360.75104	0.6
421.08212	100.0
422.08563	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	420.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74004	0.6
57.03335	4.5
59.01269	4.6
61.98714	1.0
64.01793	1.1
65.99728	1.9
69.03338	0.9
71.01286	1.8
71.56100	0.8
72.99175	0.5
73.29835	0.7
81.03343	1.3
83.01267	5.1
85.02859	0.7
89.02373	0.9
89.03847	1.1
93.03356	1.5
97.02846	2.2
99.04443	0.7
103.05448	1.0
109.02879	3.8
113.49642	0.7
115.05487	0.7
121.02901	1.3
123.00838	1.5
125.02375	24.3
131.04971	0.8
137.02388	15.4
138.03137	2.7
139.03926	0.9
140.05107	0.7
143.04979	3.1
149.02353	1.4
151.03961	0.8
153.01830	1.9
155.03661	1.8
155.04930	0.8
156.04506	2.3
157.02850	0.8
159.04472	1.5
160.01466	0.9
161.02454	0.8
163.00363	5.9
164.01102	6.5
165.01891	10.4
166.02525	0.9
167.03514	3.2
167.04727	0.6
168.04514	2.6
169.05278	1.4
170.06046	3.7
171.04468	6.5
173.06082	0.9
174.01942	3.8
175.03955	1.6
177.01892	1.9
180.04451	0.7
182.06075	1.4
183.04483	2.2
184.04015	12.3
185.06013	1.0
187.03972	2.7
191.03528	0.9
196.04019	2.2
197.04807	23.5
198.05592	52.7
199.03981	10.3
199.05933	3.8
199.07608	0.9
200.04709	1.0
201.05608	3.0
201.59039	0.6
202.06316	1.1
203.03464	2.8
205.01469	0.9
208.03963	2.5
209.06059	2.7
210.05559	5.4
211.04022	8.2
211.05873	1.3
212.03481	1.6
213.02031	0.7
213.05566	1.0
214.05110	1.1
215.03476	2.8
216.02899	1.0
221.04732	0.8
223.07605	1.3
224.03511	2.5
225.03987	4.5
226.05103	100.0
227.03485	14.6
227.05472	6.7
227.07249	2.4
228.03157	1.8
228.06749	0.8
229.03581	1.7
233.06044	1.8
236.03558	1.2
236.07077	1.5
237.05684	3.6
238.05103	14.5
239.02057	4.3
239.05475	1.3
240.02701	1.1
240.06721	2.0
241.03952	2.5
242.04494	1.1
249.05640	2.7
250.05554	1.5
251.07159	6.9
252.02948	3.4
253.05145	2.0
254.04625	36.7
255.04968	3.1
255.07042	1.6
256.06375	1.6
257.12048	1.0
258.12210	2.4
260.07358	1.2
261.05643	2.6
263.03516	1.2
263.07214	0.8
264.04184	1.0
264.06693	1.1
265.05023	2.4
265.08813	0.8
266.04803	2.7
269.08270	9.8
270.04340	0.9
275.07214	3.7
277.05206	2.0
278.05734	1.5
278.08359	4.0
279.06613	5.0
280.06345	1.3
281.04398	1.0
282.04172	14.5
282.07379	1.5
283.06509	1.2
288.06732	2.6
290.04993	0.8
291.06573	1.7
292.06277	3.5
293.05002	1.0
293.08264	11.1
294.04419	2.0
294.08612	0.9
295.06241	1.4
296.09372	10.3
302.08368	0.9
303.06689	2.5
304.06537	1.1
305.04526	1.1
306.07834	4.0
307.06024	2.1
308.06003	1.0
310.07217	4.9
310.51563	0.7
312.06754	1.0
316.06204	5.4
318.04883	1.1
319.06155	5.2
320.06210	1.3
320.09442	11.5
321.07434	3.8
322.07660	1.0
324.08902	0.8
330.07901	3.0
330.15579	1.2
331.06213	1.7
332.05847	1.3
334.07254	10.1
337.07333	3.5
346.07224	2.0
347.05536	4.6
348.05249	1.2
348.08820	1.8
349.07266	2.1
358.07523	4.0
359.11273	1.4
360.11566	1.3
364.08371	26.5
365.08038	3.6
373.13177	1.1
374.06870	7.5
374.13660	1.0
375.05450	2.7
376.08627	1.4
384.05304	1.9
392.07767	10.4
393.07025	1.7
402.06311	7.6
405.15231	1.0
420.07367	99.7
420.17358	2.6
421.07578	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	419.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01286	88.2
61.98722	76.4
67.44305	16.5
67.48660	16.9
68.71217	18.3
69.42565	59.3
69.42989	90.4
71.01262	17.0
72.57833	21.4
78.95805	29.4
86.03331	20.4
86.55367	20.5
96.95911	100.0
125.08685	18.5
152.91708	32.5
194.92850	54.6
212.18828	18.4
262.85529	20.5
333.02289	18.9
359.04883	34.3
419.24945	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	10.8
58.00473	7.3
59.01266	83.8
61.98714	12.1
71.01267	47.1
71.52534	6.9
72.99199	13.0
73.02835	11.8
75.00771	22.1
76.05873	4.8
76.07877	4.5
77.20226	4.5
83.01289	7.2
85.02827	26.4
87.00776	14.0
89.02328	29.0
93.03352	8.6
99.00787	9.8
101.02345	31.9
108.02085	16.8
109.02882	20.6
111.00799	19.4
113.02374	20.8
119.03456	16.8
119.04961	5.6
123.04469	6.8
125.02381	15.6
129.01859	12.0
135.02942	6.3
137.02382	18.1
137.06046	5.1
151.03963	7.4
161.04544	14.6
164.01149	6.4
165.01886	5.5
165.05579	8.1
173.00957	5.5
174.01749	9.6
175.02545	11.3
175.64119	5.9
179.05615	10.7
184.04015	5.9
187.06285	13.3
191.01947	7.0
191.05626	12.0
198.05684	12.3
204.06685	20.6
205.07381	7.9
221.08218	5.0
225.07849	6.0
226.05133	25.9
227.03630	7.2
254.04697	11.1
257.11813	6.4
257.14166	6.6
289.07227	58.0
326.06897	13.9
329.15118	100.0
330.15698	9.4
333.00745	6.4
373.22391	16.2
375.12747	6.3
393.10153	7.2
419.13745	21.4
419.19034	24.6
420.07169	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.4
59.01267	1.5
63.33599	0.4
63.58909	0.3
71.53151	0.5
72.99200	4.8
88.45055	0.3
94.04846	0.4
97.06493	6.2
111.08052	0.8
125.06012	47.3
126.06351	2.5
143.07083	74.9
144.07420	3.1
167.10730	0.4
179.14304	0.6
195.13887	9.0
196.14421	0.9
205.12326	0.6
205.15900	0.4
207.27672	0.5
211.13425	0.7
223.13422	7.1
224.13876	0.6
228.13660	0.7
231.21169	0.5
256.13245	1.6
265.21835	0.9
275.20236	4.5
276.20786	0.5
293.21307	100.0
294.21631	11.6
419.28125	10.8
420.28506	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	420.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24809	0.7
57.03340	4.1
59.01270	4.3
61.24490	0.8
65.99731	2.4
69.03358	1.0
69.34025	4.5
69.34447	4.1
71.01286	1.7
72.99201	1.6
73.02814	0.9
81.03333	1.8
83.01290	3.9
86.76471	0.9
88.62435	0.8
89.03875	1.1
93.03377	1.3
95.01257	1.0
96.95889	1.0
97.02827	1.7
99.04425	1.3
101.02337	0.9
102.53779	0.9
103.05435	1.2
109.02868	4.0
121.02846	1.5
125.02375	28.5
131.05000	0.9
133.02885	1.2
137.02371	14.6
138.03191	2.0
143.04956	2.4
149.02382	1.3
151.00343	1.3
155.03748	1.4
156.04501	2.7
159.04501	1.3
162.01883	0.9
163.00351	6.8
164.01134	6.5
165.01886	13.0
166.00896	2.3
167.03471	3.2
167.04811	1.0
168.04492	2.2
169.05287	1.7
170.06076	3.5
171.04436	5.6
174.01952	1.4
175.03990	1.3
177.01920	2.7
180.04410	1.1
182.06137	1.6
183.04549	1.7
184.03999	12.3
187.03967	1.2
189.01965	0.9
189.05562	1.1
196.04080	2.0
197.04794	18.3
198.05580	49.0
199.02666	0.9
199.03989	9.8
199.05943	4.2
199.07559	2.0
201.05550	3.0
203.03532	2.4
208.04012	1.5
209.06065	2.6
210.05606	5.5
211.02458	0.8
211.04071	7.8
212.03519	1.2
214.05122	1.7
215.03506	2.9
216.03133	1.0
222.05446	0.9
223.04048	0.9
223.07620	1.7
224.03316	1.8
225.04338	4.8
226.05095	100.0
227.03493	13.7
227.05499	7.4
227.07324	1.6
228.03194	2.4
228.06697	1.7
229.03577	1.6
233.06114	2.0
236.03566	1.2
237.05530	3.2
238.05098	13.1
239.02069	1.6
241.03822	1.3
242.04671	1.3
249.05644	2.2
250.05132	0.8
251.07213	6.3
252.03075	3.2
254.04611	28.2
255.02829	1.6
255.06679	3.2
256.06223	1.9
261.05563	2.9
262.05569	1.4
264.06741	1.5
265.05182	2.1
265.08810	2.0
266.04694	3.5
267.05350	1.7
269.08194	9.3
270.04190	1.3
275.07172	2.3
277.05139	2.9
278.05591	1.1
278.08249	3.8
279.06699	6.3
280.06439	1.8
281.04404	1.5
282.04172	8.8
282.07254	1.5
283.06314	1.3
288.06622	2.4
291.06519	1.4
292.06323	2.9
293.08282	11.3
294.04227	3.3
294.08652	1.5
296.09305	10.1
297.07529	1.1
301.04889	1.3
303.06683	2.9
304.06345	1.2
306.07761	4.0
307.06174	3.1
310.07300	4.5
316.06323	5.5
319.06113	4.8
320.06195	1.5
320.09406	9.3
321.07626	2.4
322.07526	1.9
330.07767	2.0
331.06070	1.3
332.05780	1.9
333.04208	5.6
334.07458	10.3
337.07251	3.3
346.07382	1.4
347.05676	4.7
348.08978	1.5
349.07083	1.5
358.07321	3.4
364.08383	17.2
365.07242	2.8
374.06720	7.6
375.05377	3.2
376.08380	3.3
384.05341	2.8
392.07901	9.9
393.06351	1.8
402.06403	6.8
403.06595	1.9
420.07373	94.3
421.07639	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	417.2658
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
50.42900	0.4
53.44069	0.4
59.01258	3.2
69.21350	2.2
69.21774	2.8
71.01267	0.8
74.15504	0.4
101.02375	0.6
117.03388	14.5
119.04945	6.4
121.02874	1.1
133.02902	0.6
142.51012	0.5
145.02895	100.0
146.03241	5.7
163.03926	4.9
163.05043	0.5
181.15437	0.5
255.23401	0.6
271.22849	7.3
271.31799	0.5
355.17816	0.5
399.25476	1.4
417.26590	28.8
418.26913	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	419.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09531	0.3
53.67403	0.2
58.00473	0.3
59.01267	3.6
61.98718	100.0
65.41311	0.3
69.77460	0.7
69.77874	1.0
71.01276	2.0
72.99198	0.6
74.02369	0.3
83.01253	0.3
85.02856	0.5
87.00797	0.5
89.02331	2.5
95.01272	0.4
95.85641	0.3
96.95911	0.3
101.02365	1.2
109.02906	0.5
111.00798	0.3
111.39651	0.3
113.02360	1.0
119.03462	1.3
120.00846	0.4
128.03470	0.8
131.03378	0.3
133.01634	0.4
139.00342	0.7
142.08542	0.2
143.04578	1.0
151.04041	0.3
153.01915	1.5
157.01428	0.3
161.01129	14.5
161.04587	0.5
162.01878	1.5
170.06502	0.3
176.03494	13.2
177.03816	0.4
179.05669	1.4
195.02936	0.5
210.71681	0.3
264.05045	0.3
271.74268	0.3
272.09042	0.7
283.05142	0.3
297.06180	0.7
304.06204	0.4
306.07755	0.6
307.79004	0.3
358.10812	0.6
359.11566	0.6
373.13000	0.5
404.14987	0.4
419.19315	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80051	0.5
53.22096	0.5
57.03083	1.0
57.03341	13.6
58.02864	0.7
59.01266	9.0
59.13597	0.5
61.98725	1.0
67.10708	0.5
71.01274	6.0
71.59953	0.7
72.99200	5.0
73.02840	2.1
75.00767	21.5
78.95814	0.8
83.01283	1.1
85.02843	11.7
87.00790	2.0
89.02335	4.0
96.95924	1.0
97.02834	3.7
98.02361	0.8
101.02364	3.7
106.04140	1.3
107.04935	2.5
109.02892	0.8
111.04329	0.7
113.02368	1.7
115.00291	2.4
116.70181	0.5
117.01883	1.3
123.08044	1.1
124.85874	0.6
125.09645	0.8
129.01868	100.0
129.10272	1.6
130.02213	3.1
135.02927	31.2
137.02292	0.5
139.66119	0.5
147.04446	1.3
151.03983	1.0
161.04504	0.6
164.07115	3.8
168.11398	2.3
175.02437	3.7
186.12430	3.6
187.09886	0.8
197.11861	1.0
209.11865	1.8
210.12408	3.0
211.07591	0.7
213.09244	6.6
220.50674	0.6
221.11832	1.1
233.16670	1.3
257.08264	1.2
290.18964	0.6
332.19852	0.7
376.18814	9.6
393.45358	0.6
419.13562	11.5
419.22577	0.9
420.14188	1.7
420.21454	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1205
Annotation	Robustaside A
Peak:m/z	Relative Intensity
57.03359	0.3
59.01269	2.9
65.31767	0.2
68.99679	0.2
69.03352	0.3
71.01271	3.4
71.60246	0.4
73.02846	1.1
75.00789	0.4
78.91428	0.2
83.01289	0.5
85.02847	2.2
87.00782	0.7
89.02339	0.6
95.01305	0.7
96.95921	0.4
99.00807	0.6
99.04452	0.5
101.02335	1.8
108.02087	5.3
109.02876	7.4
111.06558	0.2
113.02323	1.4
117.03384	23.5
118.03748	1.0
119.03484	0.4
119.04947	6.3
121.02869	0.6
122.70062	0.2
123.00816	0.8
123.04460	0.3
125.02367	0.5
137.02357	1.4
139.00206	0.3
145.02893	100.0
146.03242	4.8
151.00317	2.0
159.04433	0.3
161.04518	0.6
161.05930	0.4
163.03963	5.7
164.04269	0.4
166.02681	4.8
167.03267	0.2
167.06071	0.3
177.01822	0.2
181.05037	7.3
187.04008	0.3
190.58403	0.3
205.04987	0.3
209.11815	0.4
219.10268	0.4
237.11459	1.2
307.08310	10.2
308.08557	1.3
387.10837	1.2
402.13193	0.8
417.11917	35.0
417.26443	0.9
418.12204	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	417.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03368	0.6
58.00475	1.5
59.01267	100.0
69.40885	4.9
71.01272	30.4
72.01648	0.6
72.99210	1.6
73.02826	4.0
83.01292	2.4
85.02842	7.4
87.00758	1.4
89.02338	29.7
95.01308	1.6
98.19861	1.5
99.00807	2.2
101.02345	18.9
113.02356	15.6
114.02794	0.6
119.03424	14.0
122.31511	0.6
131.03448	1.1
143.03442	4.0
149.04533	1.5
159.02968	2.2
160.61905	0.7
161.04507	31.5
162.04868	1.3
177.09149	4.0
179.05586	10.8
179.06993	0.9
195.10365	2.2
205.03575	1.2
220.90086	0.7
224.20998	0.7
306.42679	0.7
357.15601	46.0
358.15891	4.9
417.17722	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.8
55.50711	0.4
57.03341	1.6
58.00489	0.7
59.01268	100.0
60.01595	0.9
61.98751	0.6
69.43555	4.1
70.29968	0.5
71.01273	36.3
72.01602	0.9
72.99198	1.3
73.02843	9.5
73.88456	0.5
75.00793	1.3
83.01277	4.6
83.01733	0.5
85.02848	13.6
87.00788	1.5
89.02338	7.4
95.01261	2.3
96.95930	0.7
97.02882	0.8
99.00793	4.3
101.02355	21.5
102.02737	0.6
105.63487	0.4
107.01299	5.6
109.02933	0.5
111.08086	1.8
113.02364	14.1
114.02680	0.5
119.03407	2.3
121.02895	1.8
125.02424	1.1
129.01920	0.5
131.01328	1.7
139.07594	16.1
140.07945	0.9
143.03465	3.0
159.02917	4.1
161.04512	38.9
162.04930	1.4
165.09198	1.8
179.05617	0.8
195.10216	3.5
205.03598	1.7
218.99376	9.6
219.99777	0.5
237.00459	10.4
238.00998	0.5
357.15637	25.0
358.16019	2.7
417.17694	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80785	0.4
59.01266	100.0
60.01598	1.2
62.62429	0.5
67.80430	0.4
69.73390	2.1
117.03400	2.2
119.04915	0.8
123.04560	0.5
125.06088	0.5
142.51207	0.5
145.02863	2.5
251.63817	0.6
289.18118	0.6
415.28708	5.3
416.29092	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.5
67.01807	1.0
67.82019	0.5
69.03357	0.6
70.79269	1.4
71.01273	4.2
71.91919	0.6
73.02871	1.5
73.35641	0.5
74.02391	0.6
83.01309	0.7
85.02891	2.5
87.00803	0.8
89.02359	1.1
93.03366	5.5
95.01269	1.2
96.95950	0.5
99.04454	1.1
101.02367	1.4
107.01359	0.9
108.02080	5.2
109.02871	8.5
109.03492	0.7
112.25441	0.5
113.02397	1.2
117.03375	23.1
117.04182	1.2
118.03735	0.9
119.04949	4.9
125.02389	1.1
129.01883	0.7
132.02132	0.6
137.02376	0.7
145.02892	93.6
146.03217	5.2
151.00354	1.6
159.04440	0.6
163.00368	1.1
163.03935	5.3
173.04524	2.2
185.06071	0.6
191.05635	3.9
198.27917	0.6
205.36156	0.6
211.04070	1.3
227.03506	71.8
228.03825	5.2
229.05031	2.1
243.12421	1.0
255.03030	92.1
256.03610	14.2
257.04349	1.1
275.39465	0.6
284.03326	88.9
285.03955	25.3
286.04297	0.7
307.08276	9.9
308.08426	1.0
327.04956	1.0
346.15134	0.8
390.13489	0.6
417.07889	100.0
417.17398	3.3
417.26270	3.2
418.08221	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	417.1202
Annotation	Robustaside A
Peak:m/z	Relative Intensity
55.01747	0.3
56.20897	0.3
57.03336	0.3
57.14653	0.2
59.01262	3.5
69.03364	0.5
69.29885	1.8
69.30314	1.4
71.01275	3.7
72.99198	0.3
73.02848	1.0
75.00767	0.7
83.01273	0.7
83.04934	0.3
85.02866	2.4
87.00768	0.5
89.02348	0.7
95.01300	1.1
96.95966	0.3
98.19735	0.6
99.00797	0.6
99.04423	0.7
101.02371	1.5
108.02083	6.1
109.02876	8.1
113.02351	1.7
115.03794	0.3
117.03381	27.4
118.03717	1.2
119.03522	0.3
119.04941	6.1
120.05316	0.4
121.02915	0.5
123.00766	0.8
123.04385	0.4
125.02352	0.3
137.02373	1.0
145.02890	100.0
146.03236	6.0
149.02386	0.4
151.00317	2.3
153.01840	0.4
159.04398	0.3
161.04488	0.5
163.03954	4.8
166.02682	4.3
167.03256	0.3
168.22322	0.3
172.82205	0.3
181.05034	5.6
187.03870	0.3
219.10320	0.4
237.11334	1.1
240.62105	0.3
247.06139	0.4
255.12202	0.3
268.38516	0.3
272.17569	0.3
307.08310	11.4
308.08670	1.1
342.00790	0.3
387.10913	0.8
402.12921	0.5
406.41495	0.3
411.29837	0.3
417.11929	38.2
417.26422	1.4
418.12280	5.3
418.17514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.3
59.01268	7.2
61.98720	0.4
69.54039	0.2
71.01275	4.0
71.33208	0.4
72.99195	0.6
73.02843	1.2
75.00764	0.4
78.95764	0.5
81.03355	0.3
83.01314	0.5
85.02857	1.4
87.00768	0.4
89.02354	2.2
93.03362	0.3
95.01286	0.5
95.04930	0.4
96.95924	0.5
97.02870	0.4
99.00780	0.6
99.04418	1.6
101.02353	2.6
105.03350	0.3
107.04919	0.5
108.02071	0.2
109.02854	0.2
111.00835	0.2
113.02386	1.0
117.05490	1.4
119.03433	0.4
121.02870	1.3
122.03635	0.6
123.04446	68.8
124.01569	0.3
124.04774	2.5
125.02376	0.9
131.03429	0.5
133.02873	0.5
137.02339	0.3
144.65617	0.2
147.43134	0.2
149.04517	0.8
149.09625	0.2
151.03979	0.5
152.04742	0.7
152.99518	0.6
153.05524	100.0
154.05852	4.4
154.98114	0.2
155.03441	0.2
161.04532	1.1
163.06158	0.2
165.05537	0.7
167.03490	0.2
173.00655	0.2
177.05580	0.2
191.05618	1.1
193.05023	0.7
195.06604	1.2
219.06557	0.3
283.11948	1.3
297.09869	3.2
298.10144	0.3
315.10938	2.8
357.12076	2.2
358.12576	0.2
415.10925	0.2
415.16150	2.9
415.24512	0.6
416.10318	0.3
416.16357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16079	0.5
59.01262	3.9
61.98719	100.0
64.23894	0.6
71.01294	0.8
71.59106	0.9
78.88847	0.6
79.72237	0.5
83.41185	0.7
95.11047	0.6
97.06490	1.1
99.04412	4.6
107.63039	0.5
127.07561	0.6
151.11224	1.1
153.12802	0.5
155.34807	0.6
185.11890	0.6
197.11806	1.4
199.13435	1.8
209.12021	0.7
215.12920	1.4
215.51955	0.6
227.12910	9.9
229.14465	5.0
240.62927	0.6
289.18213	1.0
307.19247	4.0
325.20267	8.4
326.20581	0.9
341.23465	0.7
377.92944	0.6
415.24850	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	415.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79866	1.8
52.78912	1.7
59.01271	100.0
71.33258	3.5
71.80216	1.9
90.42364	1.6
99.04408	3.3
151.03900	2.1
156.92082	2.1
225.66670	1.9
318.20526	1.9
438.95969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	5.0
68.21037	0.4
70.42059	0.4
71.34242	0.5
72.18463	0.4
74.48804	0.3
81.03323	1.7
83.01278	1.6
83.04918	2.9
86.72822	0.4
89.69627	0.4
123.08077	1.7
125.02370	100.0
125.05997	16.1
126.02686	3.1
126.06375	0.6
126.72259	0.4
143.69666	0.4
149.02391	6.6
154.33015	0.3
167.03484	0.4
170.57341	0.4
172.59293	0.4
179.03470	0.5
191.03474	0.8
193.26471	0.3
213.50455	0.4
253.07217	43.9
254.07556	3.5
277.07333	1.0
399.66211	0.4
415.12582	3.4
428.58966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	6.4
57.03341	5.7
58.00484	2.5
59.01266	41.5
60.01599	0.6
61.98698	0.5
67.01814	0.2
68.99711	0.5
69.03342	2.8
69.46842	1.9
71.01272	94.5
71.04903	0.4
72.01604	1.5
72.99201	5.0
73.02837	37.7
74.03181	0.5
75.00761	2.5
78.95786	0.4
81.03357	1.6
82.03658	0.2
83.01279	28.5
83.04922	0.3
84.01629	0.5
84.02068	0.5
85.02845	49.6
86.00008	0.9
86.03184	1.1
87.00773	4.1
87.04428	0.5
89.02336	10.1
93.03355	0.3
95.01295	6.7
96.95922	0.3
96.96861	0.3
97.02853	4.6
98.19717	0.2
99.00783	14.1
99.04427	0.8
100.01125	0.4
101.02349	81.7
102.02676	1.7
103.03914	5.2
107.04949	0.9
108.02072	2.5
109.02867	2.3
111.00784	1.3
111.04404	0.2
112.01632	0.3
113.02358	34.8
114.02716	0.9
115.03944	0.6
117.01843	0.3
117.05503	0.5
119.03426	2.6
123.00803	5.2
123.04411	0.4
124.01591	3.5
125.02377	6.8
126.02723	0.4
127.03915	1.0
129.01863	1.9
129.10303	0.2
131.03452	0.6
135.04475	0.5
137.02385	0.3
139.00273	0.6
141.01869	0.4
143.03439	4.7
143.04561	0.3
145.05005	1.7
147.04494	0.2
149.06010	0.2
152.01099	2.5
152.99561	0.4
153.01897	1.7
153.05443	0.2
154.99841	0.4
159.02945	8.6
161.04506	53.3
162.04854	2.1
163.03876	0.2
163.06073	3.3
165.05431	0.3
172.62991	0.2
177.05560	3.0
178.05904	0.2
179.05637	0.2
181.04982	0.3
191.03458	0.7
193.08626	0.2
203.07144	0.7
205.03531	2.8
205.07141	0.4
207.10263	0.3
220.07419	0.5
221.08214	2.0
229.07182	1.9
247.08255	3.9
251.09387	0.6
253.07454	0.3
253.10840	0.8
269.10367	100.0
270.10712	8.3
307.10413	0.3
313.09424	0.7
383.13675	1.3
384.14124	0.2
415.16342	37.9
416.16708	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	413.2708
Annotation	6-keto Testosterone Enanthate
Peak:m/z	Relative Intensity
57.03336	0.1
57.39709	0.1
59.01265	0.3
63.89837	0.1
68.15395	0.1
71.62568	0.1
71.62968	0.2
73.72520	0.1
81.03347	2.3
83.01288	0.2
109.02845	0.2
122.03653	2.2
123.04484	0.8
135.04449	2.1
136.05243	0.2
137.02376	0.3
149.06032	0.4
177.09204	0.2
191.10760	0.3
205.12495	0.2
219.13913	0.3
233.15495	0.2
285.25870	0.3
287.24094	0.2
301.21790	1.5
301.25403	0.5
302.22049	0.2
303.26846	0.1
311.23801	0.3
313.21909	0.3
327.23422	0.5
327.27020	2.4
328.27487	0.4
329.24850	0.6
342.17456	0.1
343.26492	7.3
344.26981	1.3
353.24939	2.0
354.25345	0.3
355.22653	0.2
357.69342	0.2
367.26590	0.5
369.28079	11.2
370.28387	1.6
371.25977	5.8
372.26376	0.7
395.25980	0.5
408.17261	0.1
413.27060	100.0
414.27402	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	413.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06763	0.3
59.01267	100.0
60.01608	1.0
71.52291	0.5
121.72322	0.3
145.83112	0.2
185.08434	0.3
208.44325	0.2
211.37012	0.3
225.34280	0.3
243.02702	0.3
420.51767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97215	0.3
51.27670	0.3
59.01266	100.0
60.01603	1.0
70.33467	0.6
74.90752	0.3
239.20255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33768	0.3
58.01420	0.3
59.01255	1.4
71.01266	0.6
71.19728	0.6
77.86843	0.3
80.75349	0.3
89.02282	0.4
96.95925	0.4
97.02838	0.8
101.02360	0.4
107.03694	0.4
108.02074	0.6
108.04473	2.5
109.02866	31.7
110.03186	1.1
118.02905	10.4
119.03223	0.4
123.00802	0.6
124.01550	0.4
132.04521	0.5
133.01688	0.3
134.02409	31.2
135.02797	1.3
146.06030	0.4
149.45901	0.3
150.05511	0.6
151.00323	0.4
153.01892	1.4
162.05545	0.7
182.06078	0.6
197.04808	0.5
198.05580	1.2
225.04317	1.7
226.05109	100.0
227.05446	7.5
238.08495	0.7
243.95119	0.3
244.06110	1.5
253.06226	27.4
254.06496	2.2
268.06281	0.4
388.05646	0.5
388.10486	8.8
389.10852	0.9
415.11572	41.6
416.11832	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65903	0.5
55.01772	0.5
57.03350	0.9
58.88782	0.4
59.01268	7.7
71.01273	8.1
71.12148	0.5
71.27732	1.1
72.99195	1.0
73.02843	1.6
75.07504	0.5
78.12996	0.4
81.03362	0.4
83.01290	1.1
85.02834	3.4
87.00776	0.9
89.02348	3.7
91.03897	1.2
93.03372	0.7
95.01280	1.7
95.68079	0.5
101.02343	5.7
107.04932	0.7
108.02080	1.5
109.02855	0.9
113.02355	3.2
116.07099	0.5
117.03387	1.6
119.03407	1.0
123.00803	9.7
123.04395	1.0
123.06422	0.5
124.01597	5.6
125.02345	0.7
132.02110	1.2
133.01851	0.9
133.02884	23.9
134.03760	3.1
135.04453	52.7
136.04770	2.6
137.02400	1.1
147.04584	0.6
152.01122	0.5
153.01839	0.8
159.04489	0.7
161.02393	79.4
161.06013	1.4
162.02734	4.1
163.03993	0.9
167.03441	2.3
172.39578	0.5
177.05568	5.1
178.05920	0.5
179.03464	25.0
180.03841	1.0
191.03499	0.9
193.05025	1.3
203.07118	2.0
220.07341	1.9
221.08226	5.0
235.06133	2.1
235.09824	0.7
253.07077	1.0
253.10913	1.7
296.24133	0.5
309.09750	0.6
382.16617	0.5
383.13577	2.8
415.12540	100.0
416.12930	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	415.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12574	0.5
59.01256	1.7
69.43896	2.4
69.44323	2.0
71.01284	1.4
72.99202	0.8
73.02839	0.6
85.02895	0.7
95.01302	1.4
98.19839	1.2
106.04144	4.2
108.02082	20.7
109.02903	3.8
119.04977	0.7
123.00811	13.3
123.04433	7.5
124.01623	8.6
125.02361	0.8
130.85257	0.5
134.03676	16.1
135.04048	0.6
149.06029	8.5
150.03186	5.4
150.06340	1.0
152.01105	23.9
153.01826	2.3
162.01880	0.6
163.03905	0.6
165.05576	1.1
167.03465	48.6
168.03822	2.0
177.05537	7.8
178.01198	0.8
178.02702	13.6
179.03101	0.8
179.88640	0.5
191.03499	1.6
193.05057	100.0
194.05429	5.7
203.07077	1.7
220.07416	2.0
221.08217	4.1
253.07271	1.5
253.10864	0.9
355.10461	0.9
358.08673	0.6
383.13589	4.3
415.12543	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	413.2192
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01776	2.3
57.03338	1.6
58.00476	1.5
59.01268	42.1
61.98719	1.7
65.17210	0.5
69.78748	0.5
70.54663	0.8
70.54995	1.0
71.01274	33.2
72.99200	2.4
73.02840	4.4
83.01278	5.2
85.02847	11.5
85.06493	0.8
85.73095	0.5
86.00005	1.3
87.00768	1.4
89.02341	19.1
95.01291	2.4
96.95918	2.6
99.00798	2.3
101.02353	25.3
102.02765	0.5
110.34474	0.4
112.08878	0.5
113.02362	12.6
119.03427	9.7
121.44218	0.5
124.35820	0.5
131.03377	0.6
137.16698	0.5
143.03424	0.6
151.49536	0.6
159.02940	0.6
161.04503	1.2
241.00427	1.3
251.16580	1.0
325.27527	0.6
369.26788	1.0
395.20459	0.9
413.21927	100.0
414.22247	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	413.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	2.1
57.03337	2.0
58.00487	2.3
59.01266	41.5
60.01596	0.5
61.98720	2.6
69.03369	0.4
69.83163	2.7
71.01272	31.4
72.01605	0.4
72.99189	2.5
73.02444	0.5
73.02838	5.8
75.00773	0.7
83.01280	4.8
85.02847	11.3
85.99989	1.0
87.00764	1.6
89.02341	19.3
90.02699	0.4
95.01299	3.1
96.95912	2.0
97.02856	0.4
99.00791	2.6
99.04443	0.4
101.02352	24.9
102.02707	0.7
113.02359	11.9
119.03419	9.7
130.85724	0.4
143.03413	1.2
149.04486	0.4
159.03008	0.5
161.04520	1.1
233.15422	0.5
241.00296	1.5
251.16670	0.7
267.93964	0.4
274.21466	0.4
288.44376	0.4
369.26715	0.5
395.20865	0.6
413.21921	100.0
414.22247	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	413.2346
Annotation	3-Methoxy-scilliphaeosidin
Peak:m/z	Relative Intensity
59.01259	1.6
71.53368	0.5
77.77063	0.4
80.00818	0.5
85.55132	0.5
93.03361	0.9
119.04960	4.2
121.02879	100.0
122.03214	4.8
122.41393	0.4
141.09187	0.5
151.11252	0.6
153.12836	0.4
171.97151	0.5
176.10968	0.4
182.46922	0.5
185.09720	0.5
187.11253	1.9
197.06007	0.6
197.11794	0.5
199.36522	0.4
215.10776	3.1
215.12851	1.2
216.11172	0.5
224.08260	0.6
224.51421	0.5
226.10027	0.7
269.15491	1.1
273.15042	0.9
275.16623	6.4
276.16855	0.9
277.21646	0.8
287.16763	1.1
289.18045	0.5
291.19785	0.5
303.16245	1.3
307.19272	1.9
373.97665	0.5
377.21603	0.6
395.22415	7.3
396.22803	1.0
413.23373	7.5
414.23703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2344
Annotation	epoxyfarnesyl-5,7-dihydroxy-4,6-dimethylphthalide
Peak:m/z	Relative Intensity
52.56828	0.5
56.23416	0.4
57.30410	0.5
59.01256	1.9
61.98717	2.0
65.05991	0.4
69.24467	3.4
69.24887	1.8
71.01274	1.2
77.74957	0.5
78.95807	1.4
93.03355	7.3
96.95914	17.1
96.96880	1.0
97.06483	0.6
98.19752	1.1
106.04146	0.8
108.02060	1.1
118.89905	0.6
119.04967	1.0
121.02876	100.0
122.03217	3.7
123.04376	0.6
132.05721	2.2
134.03667	1.6
141.09149	2.6
145.02837	0.6
145.06537	1.4
151.11337	0.6
152.99564	0.6
156.05705	0.9
157.06625	0.8
158.03761	0.5
158.07306	1.9
162.01909	0.8
163.11252	0.8
165.12810	1.1
166.02660	0.8
167.10847	0.5
173.06047	0.5
173.09619	0.7
181.12350	1.2
191.14363	0.9
192.14542	0.5
201.05513	2.3
203.10797	1.1
209.11798	0.9
211.13368	1.0
225.09213	0.8
230.09578	0.7
231.37589	0.4
237.11328	1.3
243.17592	0.6
245.19115	1.9
247.05296	0.5
263.20334	0.5
269.15512	8.0
270.15875	1.2
271.17123	0.5
279.19904	0.5
287.16574	10.4
288.16931	1.0
289.18216	4.3
290.18326	0.7
307.19211	24.3
308.19598	2.3
319.19235	3.3
344.15900	0.5
377.21368	1.9
395.22388	6.2
396.22562	1.1
413.23422	66.6
414.23697	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	411.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05831	0.3
50.66839	0.3
57.03323	0.4
59.01251	1.5
61.98716	0.6
69.58899	2.6
122.03714	0.4
123.56106	0.3
134.03691	0.4
135.04437	0.4
148.01588	0.8
156.05708	0.3
159.04457	0.5
161.02364	0.7
161.05972	0.4
162.03127	1.0
174.03123	0.7
178.07233	0.3
185.06174	0.4
197.06076	0.4
199.07523	0.5
201.05511	0.4
237.05716	0.4
288.17462	0.3
297.22336	0.3
314.18726	0.4
323.27264	0.5
324.24246	0.5
325.25424	10.4
326.25845	1.4
327.23407	2.1
339.26825	0.4
341.25061	1.7
343.26505	2.3
349.25229	0.7
351.23270	0.8
353.21500	1.8
365.24899	2.9
366.25507	0.5
367.26498	11.8
368.26917	1.2
369.24454	11.8
370.24734	1.6
383.26089	1.9
393.24481	6.0
394.24921	0.8
411.25507	100.0
412.25858	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	411.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26124	0.3
59.01268	100.0
60.01606	0.8
62.38781	0.3
65.20156	0.2
69.84090	0.2
70.40891	0.6
70.41292	0.6
78.95805	1.0
83.41605	0.2
109.12936	0.3
112.44524	0.3
125.47374	0.3
152.99579	1.0
153.99898	0.4
154.99966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36296	0.4
59.01266	100.0
60.01605	1.1
69.71179	2.1
69.71590	1.0
78.95807	1.8
80.96245	0.4
96.94543	0.4
98.16995	0.4
122.10041	0.4
127.61179	0.4
152.99542	2.6
154.99985	0.9
411.24277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	1.4
61.98700	0.3
69.23284	1.0
69.23717	1.6
71.01266	1.7
75.06319	0.2
78.95798	0.6
85.02836	0.7
89.02342	0.5
93.03386	0.5
96.56347	0.2
96.95911	2.1
96.96873	0.5
98.19825	0.5
98.95499	0.3
99.81151	0.2
101.02357	0.7
102.09121	0.3
109.02859	0.5
110.06030	0.3
113.02364	0.5
123.04426	3.4
125.02367	0.4
130.08653	1.3
137.02432	0.5
139.00299	0.7
150.03209	0.6
151.03955	29.3
152.04251	1.2
152.99573	0.3
153.01913	1.4
154.02606	0.5
161.04555	0.5
163.07698	0.3
169.05002	0.5
177.05505	0.4
191.07126	2.9
192.07903	100.0
192.77071	0.2
193.05399	0.3
193.08253	6.1
203.50702	0.2
205.12392	0.3
207.10268	69.7
208.10593	5.0
209.54053	0.2
222.01730	0.4
239.88101	0.2
250.01251	0.5
251.09308	3.5
281.06781	0.4
342.15106	0.4
354.13443	0.5
369.15634	18.1
370.15936	1.9
413.09744	0.3
413.14743	3.2
413.23950	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	413.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22766	0.4
59.01266	2.9
61.98718	100.0
66.30377	0.5
68.54898	0.5
71.33651	1.0
78.95837	0.6
96.95905	0.9
99.00816	0.8
107.04967	0.6
125.09605	0.8
153.09070	0.6
163.11314	1.0
168.82697	0.5
181.12270	3.3
197.11879	0.8
207.10251	7.1
209.11850	5.7
225.11337	35.3
226.11771	2.0
228.37190	0.5
252.12587	1.5
305.17667	9.7
306.18039	1.3
323.18680	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	413.2191
Annotation	Tentoxin
Peak:m/z	Relative Intensity
51.67487	0.4
53.28394	0.4
55.01775	3.1
57.03337	2.3
58.00483	2.6
59.01267	45.6
60.01619	0.4
63.38291	0.4
69.03366	0.5
69.27673	3.7
71.01271	32.7
72.01619	0.8
72.99195	3.0
73.02835	5.6
75.00752	0.6
75.16472	0.3
75.44455	0.3
83.01283	5.1
85.02848	13.1
86.00005	0.8
86.09737	0.3
87.00778	1.0
89.02342	19.7
90.02693	0.4
90.17223	0.3
90.64445	0.3
95.01286	3.3
96.95903	0.3
97.02887	0.4
99.00786	2.1
99.69567	0.4
101.02349	24.8
102.02710	0.7
111.00783	0.5
113.02366	11.1
119.03430	9.9
129.01810	0.4
131.03398	0.6
143.03465	0.9
149.04562	0.5
159.03008	0.4
161.04510	1.2
193.13412	0.4
251.12802	0.4
251.16666	0.4
413.21918	100.0
414.22260	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	411.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68650	11.4
55.23405	11.4
56.28536	10.7
59.01266	74.6
61.98701	16.4
71.01272	26.4
71.56330	19.1
76.67559	12.7
89.02334	34.4
90.97335	10.7
96.95914	100.0
101.02323	25.5
109.02832	27.5
119.03468	13.3
121.02816	19.3
125.02313	14.4
128.03444	11.7
137.02342	20.1
142.65601	11.1
145.02821	15.3
253.69067	13.0
271.06073	17.6
321.14822	13.6
411.07260	29.7
411.12979	53.1
411.21548	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	411.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	58.0
61.98722	28.9
65.19167	7.2
71.01286	35.4
71.54209	8.1
79.95615	12.3
85.02854	11.4
87.00761	7.5
89.02345	19.8
92.00198	6.5
96.95918	100.0
97.36810	7.8
101.02379	13.8
109.02882	19.6
113.02316	12.3
114.75543	6.8
119.03387	13.9
137.02330	7.7
139.49252	7.0
163.03951	9.5
167.03487	6.0
175.29283	7.6
179.05498	7.1
249.15027	6.9
253.14207	6.6
286.08578	9.6
375.16544	8.6
411.03528	14.1
411.13297	30.3
411.21136	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
59.01252	0.4
71.42714	0.2
71.43053	0.2
76.76098	0.1
79.05424	0.2
81.03355	2.2
83.01275	0.3
83.04924	1.3
85.88927	0.1
96.80234	0.1
96.95922	0.8
108.02055	0.3
109.02838	0.2
109.06513	0.1
122.03665	4.8
123.04482	1.0
123.08055	0.1
125.02351	0.3
128.46721	0.1
135.04457	4.2
136.05194	0.5
137.02368	0.2
149.06027	1.0
163.07605	0.5
167.10272	0.1
177.09207	0.3
185.15775	0.1
191.10721	0.4
201.89969	0.1
205.12276	0.1
205.15938	0.2
208.79449	0.1
219.13951	0.2
231.13847	0.3
245.15533	0.3
247.17081	0.5
259.16998	0.2
273.18628	0.5
283.20892	0.1
283.24539	0.1
285.18665	0.4
285.22278	0.4
287.20197	0.2
299.20303	1.0
299.23535	0.2
300.20398	0.1
309.22424	0.2
311.20248	0.1
325.21765	0.5
325.25470	2.5
326.25851	0.3
327.20032	0.3
327.23386	0.6
339.23376	0.1
341.24954	5.5
342.25159	0.7
351.23380	2.6
352.23572	0.4
353.21332	0.2
355.22827	0.2
365.24997	0.5
367.26529	9.0
368.26907	1.6
369.24445	5.4
370.24680	0.8
383.26367	0.2
393.24512	0.3
411.25513	100.0
412.25867	17.8
412.31580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	3.5
63.02301	0.4
65.00229	0.8
66.71390	0.4
71.01260	2.4
71.51962	0.5
73.02862	0.6
81.03376	0.5
83.01263	1.0
85.02862	1.3
89.02361	1.2
91.05442	0.6
95.04936	2.7
96.00827	1.2
96.95925	1.2
99.00799	0.5
101.02369	1.2
102.59291	0.5
109.02871	1.7
113.02347	0.6
117.06998	0.7
119.03530	0.6
119.04947	6.7
121.02832	0.9
123.04410	0.5
125.02390	2.5
133.02892	1.5
133.06535	1.5
134.94032	0.4
135.00781	0.9
135.04472	1.7
137.02361	0.5
137.06023	3.1
143.04926	0.6
147.04468	1.4
149.02367	0.5
151.00272	2.1
159.04501	0.7
161.02423	1.4
161.04585	0.9
161.06029	3.3
163.03979	6.4
164.07140	3.4
175.03952	1.1
177.01892	14.6
177.05536	4.6
178.02496	0.6
187.03993	5.3
188.07132	6.3
190.02652	2.2
190.05083	1.7
192.08755	0.4
205.05055	56.2
206.05429	3.6
206.08258	1.8
219.06647	0.6
221.00861	0.8
247.06355	0.6
249.04077	100.0
250.04420	7.1
272.08389	0.4
274.07297	3.4
277.39975	0.4
279.14618	1.3
291.05170	1.2
304.08075	0.9
351.20477	0.8
411.09332	4.1
411.13651	0.5
411.18747	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66347	0.7
54.73096	0.6
57.03330	2.8
59.01252	2.8
71.01265	1.6
71.52021	1.2
72.99229	0.7
81.03358	1.7
83.01269	2.6
89.02293	1.2
93.03364	5.1
95.01283	1.0
95.04955	1.0
96.95920	9.7
97.02855	3.1
101.02359	1.2
105.57206	0.7
107.04946	0.8
109.02869	11.8
111.04430	2.1
113.02263	0.8
113.69602	0.7
119.04954	5.2
119.92271	0.9
121.01710	0.7
121.02808	1.5
123.00820	3.9
123.04457	1.7
124.01571	2.5
125.02372	55.4
126.02692	1.6
135.04457	0.8
137.01401	1.3
137.02386	20.8
138.03119	1.0
139.03944	15.3
145.06532	0.8
147.04424	2.2
149.02364	4.4
149.05956	0.9
151.03954	3.0
155.03458	0.9
161.02428	2.0
163.03967	5.8
164.01106	3.1
165.01878	11.8
166.02684	1.9
167.03445	15.3
168.03659	0.7
173.06064	0.9
175.03960	1.4
175.07602	0.8
176.01086	0.8
177.01913	6.5
177.05493	2.5
178.02577	0.8
179.03471	14.8
180.03844	0.8
181.61255	0.6
187.07333	0.7
189.05545	1.4
191.03485	2.0
191.07103	1.5
201.05618	1.2
203.03473	2.8
204.04202	2.5
215.07295	0.7
219.06641	10.5
220.06909	1.1
221.04593	4.9
231.06664	11.6
231.10263	1.6
241.00270	1.1
243.06604	2.5
245.04491	1.6
261.07739	3.2
271.06177	1.4
273.04089	1.2
273.07803	5.6
305.06741	100.0
306.07089	10.1
317.06726	7.7
411.12289	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	411.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64787	0.2
56.51793	0.2
59.01268	1.4
61.98714	0.3
65.97581	0.2
69.41094	1.9
71.01273	1.7
73.02862	0.5
79.95626	2.3
80.96416	1.2
83.01266	0.4
83.45287	0.2
85.02847	1.0
89.02344	0.5
95.01324	0.2
95.95135	1.4
96.95914	69.0
98.12376	0.2
98.20611	0.4
99.00762	0.2
101.02367	1.4
108.02068	0.5
109.02848	1.0
112.41774	0.2
113.02329	0.6
119.03395	0.2
121.02864	0.3
122.97487	0.7
133.45534	0.2
138.97009	3.0
148.03946	0.5
149.04359	0.4
150.97029	0.9
155.10802	0.2
157.08650	0.7
161.04482	0.5
164.98596	0.3
167.11349	0.2
168.98100	0.4
175.03979	0.5
180.98077	0.6
198.99176	1.9
222.27805	0.2
229.80109	0.3
241.00243	3.5
259.01282	0.3
411.13385	100.0
412.13727	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	411.1673
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
55.01773	1.0
57.03335	1.2
58.00481	2.5
59.01267	57.2
69.53366	1.8
69.53775	3.6
71.01274	34.7
72.99196	2.7
73.02827	1.3
83.01286	3.2
85.02841	6.9
87.00745	0.8
89.02345	23.2
90.02678	0.8
93.03371	1.5
95.01290	3.0
96.95929	3.7
97.02887	1.3
97.77362	0.8
98.19826	1.2
99.00803	0.9
101.02345	19.5
108.02087	1.4
109.02852	2.3
113.02365	10.0
118.66571	0.8
119.03416	8.9
119.04922	3.6
123.04432	1.4
125.02377	11.1
133.02925	0.9
134.03639	1.2
135.04427	0.7
137.02362	4.1
139.03966	2.6
143.03465	1.2
146.03723	1.5
147.04417	1.5
151.07597	0.8
154.94298	0.7
158.03722	1.0
159.04485	4.0
163.03917	3.3
164.77254	0.7
165.01906	1.8
167.03413	4.0
172.05238	2.8
173.06035	7.4
174.03130	1.1
174.06631	1.3
175.03960	1.1
175.07545	1.1
177.01868	1.4
179.03445	2.2
179.05661	1.2
187.04053	4.3
187.07629	28.0
188.07997	1.6
201.05560	9.8
201.14864	1.1
202.06343	43.0
203.06764	2.7
203.10757	1.7
204.04260	0.8
213.09218	0.9
216.08009	3.3
219.06654	2.2
221.04578	1.3
231.06577	2.2
231.10280	50.0
232.10631	3.5
249.07513	0.8
249.11391	1.6
273.07892	1.1
297.64221	0.7
305.06744	14.8
306.07025	1.0
317.06708	1.4
411.16724	100.0
412.17068	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	411.0038
Annotation	Quercetagetin 3-methyl ether 7-O-sulfate
Peak:m/z	Relative Intensity
59.01251	2.4
61.98723	6.2
69.70921	2.2
71.01257	0.9
81.03350	1.2
83.04920	2.7
89.02341	1.2
96.95915	0.6
98.20578	0.4
100.07574	0.6
100.41776	0.3
101.02338	0.8
107.01339	0.3
109.02847	0.9
113.02335	0.8
124.01546	1.5
134.03642	0.6
136.01578	0.6
148.01703	0.4
151.00327	1.6
152.01117	1.1
163.00331	0.7
164.01094	1.3
178.99823	1.4
179.05525	0.7
195.10281	0.7
199.18120	0.4
203.03603	0.8
214.02728	4.1
215.03087	0.3
232.03827	0.4
242.02245	4.4
243.02956	2.0
243.17192	0.6
259.02533	3.5
270.01733	5.7
271.02536	30.4
272.02979	2.2
287.02032	17.4
288.02560	2.6
315.01483	0.5
316.02307	100.0
317.02652	9.4
331.04663	98.5
332.05035	9.6
410.21033	0.4
411.00360	22.1
411.21826	0.6
411.27444	7.2
411.77621	2.9
412.00775	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0252
Annotation	Turgorin
Peak:m/z	Relative Intensity
59.01263	1.4
61.01123	0.9
67.91560	0.8
69.90500	4.9
71.01269	2.0
73.02825	0.8
79.95620	3.2
80.96417	4.2
87.00764	1.4
88.73676	0.8
95.95144	1.0
96.95919	100.0
98.20067	2.4
101.02367	1.1
101.96007	0.8
103.67355	0.8
118.02934	0.8
125.02383	13.9
132.57149	0.8
138.97017	10.1
155.83308	0.8
161.29330	0.9
169.01396	19.2
170.01651	1.0
171.35124	1.0
241.00276	48.6
242.00629	1.9
331.07111	2.1
411.02487	39.0
412.02673	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04747	0.9
51.56469	1.0
55.01772	1.6
56.04161	1.0
57.03334	1.1
59.01268	5.8
61.98707	5.7
62.16999	1.0
62.44394	1.0
65.57866	0.9
71.01266	2.9
71.58970	1.8
73.02824	1.3
76.03891	1.1
78.95806	2.5
89.53157	1.1
96.95955	1.3
99.00782	27.8
111.08064	2.1
117.01837	1.5
126.95325	1.0
152.99536	2.5
153.12811	2.8
164.52243	1.1
167.10719	1.3
181.12396	2.9
197.11824	4.0
207.13896	1.6
226.12206	1.1
247.20708	3.4
265.98663	1.1
281.21457	1.3
282.29373	1.2
291.16556	0.7
291.19714	21.7
292.20001	2.8
309.20792	100.0
310.21204	11.9
323.73587	1.3
338.92447	1.2
409.18445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2372
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01259	1.0
62.96306	0.4
67.01491	0.3
69.83646	1.6
78.95798	66.9
96.93867	0.4
96.96870	5.7
140.41241	0.3
150.97993	1.6
152.99535	100.0
153.99872	1.8
171.00594	2.7
224.96028	0.3
255.23271	2.0
409.23749	18.6
410.24036	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2395
Annotation	Dehydrorobustol B
Peak:m/z	Relative Intensity
57.03337	0.4
59.01269	0.8
59.10408	0.2
61.98718	1.3
71.01280	0.2
71.53217	0.2
73.80251	0.2
78.95799	0.3
81.03341	0.3
87.19864	0.2
99.92484	0.8
115.91995	0.8
116.92762	1.2
118.19478	0.2
121.02803	0.2
122.03669	0.5
129.59927	0.2
134.03760	0.3
135.04445	0.4
136.05212	0.2
143.04947	0.2
144.05725	0.3
146.03697	0.3
147.04433	0.3
148.01602	0.8
152.99553	0.7
156.05734	0.4
157.06534	0.3
158.03693	0.2
159.04471	0.8
161.02399	0.6
161.06017	0.4
162.03125	0.6
162.06775	0.3
172.05273	0.4
173.05977	0.4
174.03175	0.8
185.02557	0.2
185.06067	0.3
186.48218	0.2
188.04695	0.3
197.06061	0.6
199.03998	0.4
199.07639	0.6
200.04752	0.4
201.05536	0.4
211.07619	0.3
213.09108	0.3
225.09370	0.4
226.06279	0.4
227.10727	0.2
237.05695	0.2
239.07053	0.3
258.12576	0.3
270.07779	0.2
286.15771	0.3
295.20703	0.3
307.20773	0.2
308.21515	0.2
321.26022	0.6
323.20450	0.3
323.23877	8.5
324.24213	1.2
325.21841	2.3
326.22235	0.3
337.21793	0.4
337.25540	0.3
339.23267	1.3
340.23874	0.3
341.24911	1.8
347.23792	0.7
349.18146	0.3
349.21994	1.0
350.22632	0.3
351.19714	1.4
352.20309	0.3
355.13547	0.2
363.23477	1.9
365.24936	13.5
366.25629	1.6
367.22873	11.7
368.23148	1.6
381.24561	1.2
391.22873	5.0
392.23260	0.6
409.23944	100.0
410.24283	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	409.2008
Annotation	andiconin
Peak:m/z	Relative Intensity
55.01770	4.1
56.95175	2.3
57.03312	2.4
57.52732	2.2
57.55180	2.1
59.01267	38.7
61.98721	8.2
71.01272	53.5
71.52173	1.9
71.52569	3.1
72.99181	2.3
73.02834	21.8
83.01264	12.0
85.02841	25.5
87.00782	5.1
89.02346	12.1
90.28973	2.3
95.01289	2.9
96.95930	11.3
99.00786	8.9
101.02348	55.1
103.03879	3.3
113.02361	15.6
119.04943	3.9
121.02855	10.5
129.13808	2.3
143.03441	4.1
148.03986	34.8
159.02921	5.7
161.04503	24.3
162.52629	2.1
162.97922	2.1
163.03976	5.1
193.52470	2.1
215.22577	2.3
235.75905	2.1
258.65076	2.4
263.15051	100.0
264.15445	7.3
409.11877	4.9
409.20755	49.4
410.20853	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.7
59.01267	100.0
60.01605	2.2
69.16187	2.3
69.18918	13.1
69.19344	9.8
70.89899	2.1
71.01267	31.0
72.99199	3.9
73.02840	5.4
85.02849	11.2
87.00764	3.5
89.02335	31.5
92.69677	2.5
96.95906	5.5
101.02358	27.3
101.05971	11.6
108.02046	4.1
109.02870	3.4
112.20930	2.4
113.02364	16.9
114.47707	2.7
119.03433	12.2
121.02792	2.2
125.02325	3.2
156.06586	3.2
161.04514	18.0
163.06070	2.2
179.05583	13.1
187.13293	3.6
191.05655	5.4
349.11713	4.5
349.18719	57.3
350.19284	4.9
409.11734	2.5
409.23895	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	409.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62680	1.1
57.03336	1.5
59.01262	14.3
61.98719	19.1
69.03327	1.3
71.01292	1.9
71.59274	1.5
73.02842	5.8
78.95825	1.7
80.91561	8.7
89.02358	1.4
95.01275	1.9
97.06471	2.0
98.03679	1.2
99.08063	2.1
99.92469	2.4
103.81303	1.3
107.95673	1.3
113.09637	2.0
115.07544	4.1
123.04446	1.7
125.09669	1.8
127.07579	6.3
129.09138	35.7
130.09464	1.5
139.11263	2.4
141.09148	15.5
146.86003	1.3
148.90816	1.2
151.11198	2.1
152.99536	1.1
153.12810	1.9
155.10732	14.9
156.11124	1.2
157.54726	1.2
165.12810	3.0
171.10248	11.0
173.08125	2.0
179.10568	3.5
181.12227	2.0
185.11819	34.6
193.08458	4.2
197.11824	32.8
198.12180	2.4
198.78400	1.2
207.10027	74.2
208.10429	4.3
209.11893	3.5
219.10043	31.8
220.10332	1.9
221.11618	5.9
223.09587	2.4
231.05005	1.6
231.10014	2.3
233.11670	2.3
235.09549	1.3
235.20833	1.6
237.09979	1.8
245.07918	1.4
247.20842	1.6
249.11134	1.8
260.10376	6.0
264.78171	1.3
266.09332	1.2
273.31769	1.6
278.10156	1.3
291.19788	10.0
303.19611	2.8
309.20734	20.5
310.21088	2.3
312.11105	1.3
313.17783	2.2
314.51236	1.4
319.18402	1.9
321.20514	2.9
327.21838	73.3
328.22150	8.3
329.17581	1.4
331.18991	100.0
332.19324	11.5
349.19543	30.4
350.19751	3.4
391.20181	2.0
409.22025	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2214
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01270	0.8
61.98685	0.2
62.96284	0.2
63.58540	0.2
73.44074	0.2
78.95795	48.9
85.95737	0.1
96.95908	0.6
96.96863	6.7
98.20490	0.4
111.63444	0.2
120.87180	0.2
150.97972	1.8
152.99532	100.0
153.99889	2.0
171.00595	4.5
253.21788	1.2
289.18246	0.3
407.22079	8.4
408.22278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19881	0.2
52.99601	0.2
58.59894	0.2
62.96291	0.5
71.31094	0.5
78.95794	100.0
87.93485	0.3
96.96865	8.2
150.97943	1.6
152.99527	87.7
153.99895	1.6
171.00597	68.6
172.01024	1.5
241.06868	0.2
283.50134	0.2
375.36014	0.2
407.22058	3.6
408.22427	0.8
414.70325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2215
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.18518	0.3
54.65108	0.3
55.06264	0.3
59.01262	0.4
62.96314	0.3
70.29710	0.7
70.30105	0.6
70.81225	0.3
78.95797	100.0
91.34941	0.3
96.96864	8.7
113.73710	0.3
117.11226	0.3
150.97960	1.5
152.99535	91.6
153.99887	1.2
170.56819	0.3
171.00603	73.9
172.00928	1.4
250.30110	0.3
407.22089	5.4
408.22681	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	408.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.4
69.35196	0.7
69.35620	0.3
71.01289	0.2
74.99017	0.2
75.00767	0.1
76.87649	0.1
77.28420	0.1
78.95799	44.3
79.95618	0.1
80.91592	0.1
84.22437	0.1
89.02348	0.4
95.95131	0.2
96.57786	0.1
96.95981	4.9
96.96867	100.0
98.20538	0.2
101.02366	0.2
108.93613	0.1
113.02381	0.1
139.03793	0.2
141.18527	0.1
155.47147	0.1
179.05568	0.2
189.05557	0.2
212.54172	0.1
277.03326	0.1
300.62567	0.1
343.25818	0.1
408.04413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.5
61.98719	100.0
70.91404	1.2
71.53076	2.0
78.95793	1.4
96.95916	1.7
96.96893	1.7
112.36795	1.1
123.76803	1.0
152.99544	2.7
176.66289	1.0
210.03136	1.1
269.70078	1.3
280.03815	1.2
287.17471	1.1
304.63297	1.1
311.22278	1.4
315.54202	1.0
391.91891	1.1
409.19040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72707	1.1
59.01046	1.0
59.01265	12.1
71.01267	7.1
78.95790	9.0
79.95638	1.4
83.02411	1.3
87.00774	1.5
89.02338	12.4
92.89989	1.0
95.70961	1.4
96.00823	1.1
96.95916	22.7
96.96860	23.6
98.02379	100.0
98.95490	4.7
99.00784	3.7
99.02709	2.1
101.02326	4.7
107.86251	1.1
113.02348	3.7
119.03412	5.6
126.01894	1.5
131.03584	1.1
141.10596	1.2
142.02896	2.2
143.03400	1.9
146.02408	4.7
161.04491	4.2
168.46669	1.1
169.04033	17.9
170.04434	1.4
179.05583	12.3
191.04712	1.1
224.57986	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1848
Annotation	Mulberrofuran Y
Peak:m/z	Relative Intensity
54.75299	0.2
54.83572	0.2
59.01264	2.1
61.98718	0.4
62.96293	0.2
71.01273	0.7
71.49422	0.2
71.62593	0.5
78.95796	100.0
80.96185	0.5
85.02868	0.3
89.02364	0.2
96.95915	3.5
96.96870	8.3
97.93301	0.2
101.02334	0.4
113.02387	0.2
117.48053	0.2
137.77989	0.2
138.97025	0.5
144.48863	0.2
157.35358	0.2
158.88940	0.2
171.10239	0.9
172.10522	0.2
185.04507	0.2
254.18030	0.2
266.85754	0.2
330.30853	0.2
407.13849	2.9
407.18573	12.1
408.14331	0.4
408.18823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63312	0.6
59.01264	5.4
61.98697	0.7
64.76378	0.7
69.39025	5.6
71.01261	1.2
75.00767	7.7
78.95797	51.1
79.02020	0.6
79.91861	0.8
79.95627	0.8
87.00756	0.6
87.09435	0.8
92.23781	0.6
96.95956	11.4
96.96867	100.0
98.90585	1.4
99.76053	0.8
109.06565	0.8
113.92510	1.1
114.93355	1.4
117.30016	0.8
122.07612	0.7
123.08075	0.9
149.56062	0.7
152.99570	0.8
163.11134	0.8
165.12706	0.8
171.00716	0.8
181.98940	3.0
221.01289	1.2
221.38249	0.7
223.13406	1.0
241.07608	0.9
247.20811	1.4
249.04407	0.9
279.09274	2.9
281.07379	1.0
291.19708	8.7
297.10126	0.9
309.20782	14.5
309.24310	1.2
310.07501	1.9
310.21375	1.7
329.15207	1.7
331.19052	1.4
333.42606	0.7
347.15500	41.7
348.15817	3.9
358.93036	0.7
379.14417	2.2
407.12305	1.2
407.17508	18.9
407.24942	1.1
408.17978	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	407.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11476	1.3
59.01265	15.3
61.98724	2.0
71.01275	25.9
71.55728	2.4
71.56073	1.5
78.95807	4.8
79.95649	1.7
80.91581	30.4
85.02824	2.0
95.01285	2.4
95.04925	3.0
96.09357	1.4
96.95918	3.2
99.92486	4.6
101.08883	1.4
109.06480	1.7
113.06009	1.7
115.92029	2.0
123.04431	9.2
125.09656	2.5
125.99306	2.3
127.07567	14.4
139.07574	3.7
141.09209	1.5
153.09135	5.0
163.11252	2.9
171.10268	10.6
178.09979	2.4
179.10590	1.7
185.11815	8.7
191.10703	1.6
191.14368	1.7
193.08502	1.8
197.11829	9.6
207.10023	16.6
209.11826	25.1
212.99529	1.7
219.10130	7.2
221.07916	8.5
238.12216	1.9
260.10385	25.2
261.10492	1.8
277.10571	6.2
278.11447	100.0
279.11850	7.2
283.20068	1.6
289.18176	2.8
307.19199	32.6
308.19513	4.7
309.85638	2.0
320.11130	2.4
321.04425	2.0
325.20270	29.3
326.20438	4.2
329.17426	49.2
330.17587	5.9
338.12003	2.2
347.18231	26.9
348.18015	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	405.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88688	0.5
59.01266	100.0
60.01595	0.6
61.98726	2.7
69.72954	3.9
70.21407	0.6
71.01268	0.8
72.99218	2.2
78.95823	0.9
89.02346	0.6
91.03918	0.7
96.96858	0.9
99.92478	0.6
100.50826	0.5
100.92532	0.5
116.92787	1.2
126.00081	0.5
164.65767	0.5
184.78706	0.6
229.76619	0.6
271.22717	2.7
307.09052	0.7
374.20059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.2
61.98722	100.0
63.02851	0.3
71.01289	0.3
71.62774	0.6
75.00773	1.4
78.91772	0.4
78.95805	0.7
80.91616	0.3
82.95326	0.7
96.95929	0.6
99.92495	0.7
113.99506	0.6
153.09285	0.4
193.08359	0.5
209.11876	0.9
210.12332	0.4
247.09830	0.4
249.11107	0.8
250.11583	1.4
306.18121	0.6
307.19528	0.5
307.22842	0.4
325.10095	0.6
328.62366	0.4
345.20926	1.5
346.17084	1.4
347.17383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	13.6
61.40280	0.6
69.03346	5.9
69.29713	7.4
71.01269	6.2
73.02827	1.4
78.61269	0.7
81.03382	1.6
83.01278	3.6
85.02846	2.8
89.02357	1.8
93.03362	14.6
94.03741	0.8
95.01293	3.2
96.95922	1.9
97.02850	5.7
101.02345	4.6
107.01295	1.0
108.02059	0.9
109.02875	0.9
112.14149	0.7
113.02376	2.2
117.85966	0.7
119.03439	0.7
121.02900	1.1
123.00803	14.1
123.04382	1.2
124.01595	53.8
125.02374	100.0
126.02718	3.1
132.34114	0.6
136.01582	2.7
137.02374	20.9
149.02484	1.4
151.03944	4.1
154.21774	0.7
161.04491	1.8
167.03461	2.3
171.10269	1.9
179.03496	4.4
179.05087	0.7
181.05067	0.8
230.05878	1.6
239.05617	3.2
245.08275	3.0
281.06757	21.1
282.06973	1.4
303.46985	0.8
313.08481	1.0
347.17108	2.3
407.09894	56.0
407.27127	1.1
408.10178	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	407.1847
Annotation	Mulberrofuran Y
Peak:m/z	Relative Intensity
58.85063	0.1
59.01273	1.2
61.98715	0.3
62.96279	0.1
71.01263	0.3
71.62714	0.2
78.95796	100.0
89.02352	0.2
92.07647	0.1
93.03368	0.2
96.95890	0.3
96.96865	7.4
100.08066	0.1
101.02363	0.1
116.56194	0.1
162.83948	0.1
165.12877	0.1
171.10257	0.2
209.11867	0.4
245.07214	0.3
265.07611	0.2
267.12100	0.1
287.77234	0.1
299.49799	0.1
324.43304	0.1
325.09637	0.2
407.18527	12.4
408.18845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.122
Annotation	Psychrophilin C
Peak:m/z	Relative Intensity
57.03340	4.0
58.00489	1.2
59.01269	21.8
60.99198	0.5
61.00910	1.4
61.98711	1.4
70.85653	1.3
71.01275	20.6
72.99203	2.8
73.02829	1.8
75.00744	0.7
83.01284	1.1
83.04912	1.7
85.02849	6.2
87.00767	2.2
89.02345	20.2
93.03361	5.8
95.01289	1.0
96.95901	0.7
97.06521	2.3
99.00776	0.6
99.03818	0.4
99.04428	1.8
99.08069	7.3
101.02353	10.5
101.06017	0.5
109.02866	2.2
111.04445	2.8
112.05265	0.6
113.02365	8.2
113.05990	1.5
115.07577	12.8
119.03424	8.2
125.02347	0.6
127.03949	0.6
129.05501	1.5
131.03397	0.6
134.07321	1.4
137.02362	2.4
137.09674	0.7
139.00325	0.6
141.07230	2.1
143.03525	2.4
143.07082	5.8
149.04532	0.6
149.09682	9.4
153.01825	0.5
155.03409	1.1
159.03061	0.6
161.04530	3.6
167.10741	17.0
168.11060	0.9
169.05016	2.1
169.06741	1.4
171.10193	0.7
173.04521	4.5
175.02406	0.9
179.05562	4.0
181.03114	0.6
183.10277	0.9
191.05595	17.9
192.05853	0.6
199.04199	7.3
207.13889	0.8
213.05811	0.6
216.05614	1.0
217.05261	43.6
218.05603	1.6
225.14952	2.4
231.06877	2.2
231.99091	0.5
243.15936	2.4
273.08026	1.6
275.05899	1.4
287.05875	7.7
288.06332	0.6
300.06659	2.2
306.03802	0.9
315.12686	5.5
316.13007	0.6
331.12296	1.5
343.12128	11.9
344.12491	1.3
387.11151	2.5
387.20850	0.7
405.12238	100.0
405.21335	7.6
406.12601	9.4
406.21506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1601
Annotation	Murrastifoline B
Peak:m/z	Relative Intensity
59.01272	11.8
61.98722	11.4
66.68182	1.3
70.97147	2.3
71.01276	5.7
71.01608	1.0
73.02834	1.4
78.29932	1.3
78.95787	3.7
79.95631	41.6
80.96415	38.1
80.96810	0.8
80.96898	1.4
84.02068	1.6
84.03437	1.1
85.02867	2.3
87.00805	1.5
89.02335	1.6
95.95097	1.3
96.95922	55.1
99.08060	1.3
101.02370	2.9
111.00810	1.7
119.25763	1.2
125.09577	1.3
127.07557	6.3
139.07637	2.6
161.04544	1.1
163.11201	1.4
185.11800	7.2
197.11861	8.9
199.09665	1.7
200.10023	1.3
207.10240	1.2
209.11824	25.4
210.12163	1.5
210.84445	1.3
215.12677	1.2
230.47369	1.1
237.48163	1.2
238.12157	1.3
243.19717	3.8
256.13040	1.6
281.44180	1.4
289.18304	2.4
305.17706	1.6
307.19223	15.6
308.19479	1.7
325.20291	20.1
326.20578	1.7
405.15994	100.0
405.24939	8.7
406.16281	13.3
406.25198	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	405.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00993	7.4
59.01266	100.0
61.98717	28.8
69.51849	28.8
69.52260	10.2
71.01279	26.3
71.84959	5.5
73.02824	7.3
75.00802	5.8
85.02838	14.0
87.00779	11.1
89.02347	17.1
89.83072	5.3
101.02348	22.2
109.02862	7.3
113.02341	7.1
119.03432	7.7
119.99827	5.4
125.02363	7.8
129.01811	5.6
135.04424	9.6
146.01054	5.4
151.00308	6.6
153.09125	6.4
179.05641	7.7
183.10226	9.3
191.05600	8.8
199.07579	9.8
205.10408	6.2
243.06718	33.3
243.12393	18.6
280.86945	5.8
307.07974	7.2
405.16525	13.3
405.20978	7.5
405.25455	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	405.1695
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
54.54639	5.8
57.98895	5.8
59.01265	100.0
61.98723	16.2
69.45385	7.2
69.51751	29.7
69.52158	15.9
71.01273	20.7
85.02853	8.3
89.02344	12.7
93.03361	14.5
96.95913	56.9
97.26656	6.1
98.20506	15.3
101.02328	17.2
109.02821	8.9
113.02345	7.6
123.04436	12.2
137.02374	14.5
153.01881	8.9
157.04333	6.7
176.39833	6.0
199.07549	7.3
204.95833	6.5
216.10017	7.0
241.00301	9.0
258.15012	6.3
405.08533	20.5
405.16751	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	405.214
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
50.72408	0.8
52.01279	1.0
55.01770	0.9
57.03335	14.0
58.00478	5.7
59.01264	100.0
60.01612	1.5
61.98719	21.7
63.63652	0.8
65.34416	0.8
69.24691	8.7
71.01269	69.2
72.01619	1.0
72.99197	6.7
73.02837	1.1
74.02372	3.4
74.18960	0.8
75.00761	0.9
76.57135	0.8
79.57672	0.8
79.63457	0.7
80.20040	0.8
83.01278	3.3
85.02846	10.3
86.02384	0.9
87.00800	4.4
89.02336	88.1
90.02705	1.1
90.25566	0.9
95.01283	4.4
96.95927	1.2
99.05532	2.2
101.02348	34.0
108.02058	1.1
112.05226	2.5
113.02361	27.5
113.03165	1.6
119.03413	35.2
125.02392	1.4
125.06026	1.1
125.09578	1.1
125.92474	0.9
128.03458	4.0
129.03804	1.7
131.03442	3.9
134.07280	4.6
137.09689	2.0
143.03450	6.6
143.04573	5.4
144.04938	1.7
149.04523	2.8
149.09660	33.9
150.03102	0.9
150.10008	2.2
151.03989	1.6
160.00673	1.5
161.04520	7.1
165.56894	0.8
167.10730	68.6
168.11110	3.5
168.23755	1.0
179.05606	15.3
181.05026	3.2
185.50858	0.9
205.84142	0.9
207.03281	1.0
207.13980	1.5
225.14998	9.1
237.64549	0.9
243.16049	4.6
255.08331	1.2
272.08905	1.6
273.09296	2.3
289.06857	1.1
306.07764	2.9
307.08005	6.3
308.07672	2.6
359.11206	1.7
402.32669	0.9
405.16043	2.2
405.21277	19.8
406.21674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1204
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
50.00810	0.4
51.02290	0.9
55.01768	0.5
56.21598	0.4
59.01270	4.2
61.65736	0.4
61.98717	2.4
69.03346	66.5
69.25386	3.7
69.25797	0.5
70.03683	1.5
70.86148	0.4
71.01273	2.9
79.01784	21.4
80.02123	0.6
80.02568	0.4
81.03362	4.2
83.01304	0.7
85.02859	2.2
89.02339	2.2
93.03365	3.2
95.01283	7.7
97.02859	34.4
98.03184	0.9
98.19814	0.8
101.02345	1.3
107.01300	65.7
107.04943	1.0
108.02118	14.6
109.02872	7.1
113.02345	1.7
119.03403	0.7
119.04932	0.6
121.02862	6.0
122.03680	0.9
123.00810	14.1
123.04408	0.7
124.01120	0.6
125.02373	80.9
126.02711	2.8
133.02878	3.6
134.03635	2.1
135.00835	2.9
135.04428	2.0
136.01608	7.4
137.02393	7.0
145.02911	0.9
149.02408	4.3
150.03091	0.6
151.00317	93.1
151.03899	1.6
152.00706	4.4
153.01895	19.0
154.02240	0.5
161.02396	0.9
161.04514	0.5
163.03986	8.8
164.04208	0.4
165.01874	0.4
169.06468	0.5
175.04039	0.9
177.01907	12.0
178.02269	0.7
179.03491	1.0
189.02022	0.6
191.03436	1.0
194.02126	0.6
195.02937	0.8
197.06058	5.4
198.06802	1.4
199.07634	3.8
207.02939	1.7
213.05554	1.2
215.07161	1.0
219.02936	0.9
242.05890	100.0
243.06628	56.5
244.06990	4.2
255.06744	0.7
275.48459	0.6
285.07742	5.5
297.06165	20.2
298.06589	1.8
354.79587	0.4
405.12015	22.3
406.12476	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	405.1201
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
55.90798	0.5
59.01258	4.8
61.98714	2.1
64.73811	0.5
65.00183	0.7
65.03852	2.8
67.01794	1.0
67.35003	0.5
68.99700	1.0
70.41629	1.8
71.01261	1.8
85.02856	0.8
85.07463	0.5
89.02322	1.3
91.01792	43.5
92.02129	1.4
93.03345	0.4
93.57706	0.4
96.95909	0.8
100.52188	0.5
101.02358	1.3
107.01244	0.4
107.04956	2.8
108.02059	3.5
109.02863	29.6
110.03190	0.9
113.02356	0.8
119.05032	0.5
121.02849	1.5
123.04412	1.0
129.18752	0.6
133.02861	1.4
135.00809	100.0
136.01100	4.0
137.02394	5.4
149.02419	1.1
153.01878	92.1
154.02191	3.3
161.02419	1.0
163.03967	0.7
175.03958	3.6
177.01891	3.1
177.05620	0.7
182.37367	0.5
197.06070	1.6
243.06673	14.1
243.16095	0.5
244.07021	1.0
253.06895	0.5
281.06696	0.5
297.06223	17.3
298.06479	1.1
405.12045	14.2
405.21115	7.0
406.12366	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	403.1985
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01775	1.7
57.03334	4.4
58.00480	1.8
59.01268	77.4
60.01598	1.2
60.99157	1.4
61.98708	4.2
62.73935	0.9
69.56166	4.9
69.56586	3.3
71.01273	54.1
71.04907	1.2
72.01610	1.7
72.99205	13.4
73.02829	6.8
74.02368	1.8
75.00771	20.4
83.01275	4.3
83.04912	2.4
85.02844	23.9
87.00253	1.3
87.00772	17.1
89.02343	30.7
89.29378	1.0
90.02662	1.5
93.03374	1.4
95.01285	3.7
97.06503	1.2
99.00784	4.6
99.04394	1.4
101.02360	19.1
103.00258	2.1
105.01183	2.0
105.01848	27.9
111.00790	1.8
113.02361	18.5
116.01053	1.3
119.03424	15.2
123.08089	1.9
127.03970	1.4
128.03464	2.2
129.01837	3.8
131.03407	2.0
135.02905	4.9
137.02396	1.2
139.07544	3.2
143.03410	2.8
143.04550	3.9
143.10789	1.1
145.10298	1.1
157.01541	1.2
159.02956	1.3
161.04530	9.0
163.03935	1.2
175.02409	4.2
177.12805	8.1
179.05664	6.5
179.10728	1.6
179.14400	6.5
187.11230	1.4
191.05594	1.7
205.12370	6.5
221.80492	1.1
223.13416	39.9
224.13768	2.9
225.14830	1.6
227.16534	3.0
241.10736	3.1
241.14481	12.1
242.14847	1.1
245.92126	1.1
268.35892	1.1
269.17618	3.7
271.15228	1.3
285.17142	1.7
295.15509	2.4
306.07693	7.9
327.09723	1.1
343.17639	8.3
385.18823	3.0
403.19806	100.0
404.10034	1.3
404.20212	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	404.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03362	0.5
58.02859	5.4
58.96647	0.6
59.01261	3.0
69.24155	0.5
69.60076	0.5
70.02828	0.7
71.01250	1.1
71.14900	0.8
71.15224	1.0
72.00806	1.5
74.01973	1.1
74.02362	13.7
81.04479	0.6
82.02876	1.1
86.02376	5.6
86.05999	0.6
86.98994	1.0
87.05545	3.1
89.02360	1.4
90.00086	1.6
91.94128	0.6
97.03967	0.7
99.05544	11.8
100.05879	0.8
101.02357	0.9
101.07119	2.1
102.05501	1.3
109.03973	1.0
111.05563	1.0
112.03957	1.8
113.03548	0.6
123.05515	1.4
124.03980	1.2
125.03493	1.3
127.05062	2.1
128.03464	38.6
129.03807	1.2
135.05583	2.9
141.06635	3.4
143.04558	58.6
144.04909	1.0
145.06117	2.5
146.04526	5.7
149.09644	0.8
153.06650	3.4
160.00687	15.9
161.04434	1.1
166.09824	2.3
167.04558	3.9
167.08249	1.6
167.10759	1.2
170.03169	0.9
171.04005	1.0
171.07715	1.0
177.03360	8.1
179.04604	11.0
180.04921	0.8
181.06148	1.3
184.10806	0.7
185.05641	2.7
192.07841	1.3
197.05681	3.1
198.08810	0.8
202.41821	0.6
210.08836	10.9
228.09976	0.8
239.57115	0.6
242.07869	1.8
254.07840	18.5
255.08342	0.8
258.04092	0.6
272.08942	30.1
273.09323	2.2
288.06671	11.5
289.07037	0.7
306.07730	100.0
307.08026	6.9
404.15051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	2.5
61.98720	100.0
62.64087	0.5
67.21783	0.5
69.54591	1.4
69.55012	2.9
71.01269	0.5
78.95790	0.7
80.86277	0.5
85.02903	0.7
87.00777	0.7
99.05588	0.5
111.00803	0.7
122.41347	0.5
162.01807	0.6
226.05238	0.5
246.30685	0.5
304.24448	0.6
407.76926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.4
61.98721	100.0
62.98437	0.3
68.99736	0.2
71.26346	0.3
82.74181	0.3
92.02213	0.2
143.95587	0.3
170.10858	0.2
255.89978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78209	0.4
59.01265	2.8
61.98719	100.0
65.24910	0.4
71.01268	0.6
71.59294	0.8
78.95765	0.6
87.00763	0.6
122.11005	0.4
143.23772	0.4
147.03189	0.4
155.13519	0.4
157.77580	0.4
171.10297	1.1
201.43831	0.4
271.67499	0.4
282.58612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1202
Annotation	CHEBI:76157
Peak:m/z	Relative Intensity
53.98588	0.3
59.01269	3.2
61.98717	2.4
65.00222	0.4
71.01286	0.5
71.52448	0.4
75.00768	6.5
78.95801	0.8
79.95631	4.4
80.02569	0.4
80.96405	0.7
91.01797	14.0
92.02150	0.4
95.01266	1.1
96.95921	5.2
101.02346	0.4
107.04933	0.5
108.02082	18.5
109.02908	3.9
111.00791	0.7
112.94385	0.3
113.02349	0.3
121.02821	0.7
123.00806	5.9
124.01609	0.5
135.00815	14.2
136.01161	0.6
137.02394	4.0
148.03984	0.3
152.01100	17.1
153.01462	0.6
183.10234	0.6
197.06071	1.5
199.07623	0.5
209.11894	0.3
213.05609	1.2
215.07166	0.7
225.05624	0.3
241.05252	0.4
243.06660	100.0
244.06992	8.4
284.67133	0.3
305.90347	0.3
368.39053	0.3
405.11942	7.7
405.16229	3.6
405.24677	0.8
406.12286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
59.01267	10.2
61.98719	4.7
69.03343	60.3
70.03666	1.5
71.01269	6.0
71.17599	0.5
72.99207	0.5
73.02833	0.5
79.01781	13.7
80.02147	0.3
81.03344	3.5
83.01288	0.7
85.02840	3.1
89.02336	5.5
93.03359	4.3
95.01294	7.0
97.02853	36.1
98.02602	0.3
98.03190	1.0
98.49261	0.3
99.00791	0.3
101.02341	3.0
107.01293	44.7
107.04935	0.7
108.02107	12.4
109.02265	0.3
109.02891	6.2
113.02346	2.5
117.03399	0.4
119.03462	1.9
119.04958	0.6
121.02864	5.7
122.03772	0.6
123.00801	14.7
123.04467	0.8
125.02370	83.1
126.02700	2.8
131.03421	0.3
133.02881	3.3
134.03661	1.1
135.00830	2.7
135.04451	2.8
136.01595	6.7
137.02391	5.2
138.02782	0.4
145.02867	0.8
149.02397	4.4
150.03178	0.8
151.00313	77.1
152.00836	4.1
153.01880	18.8
154.02194	0.7
161.02400	0.9
161.04495	1.1
162.03122	0.7
163.03966	9.2
163.05342	0.5
165.01915	0.6
169.06558	0.6
175.03935	0.8
177.01898	11.7
177.05316	0.3
178.02232	0.6
179.03468	0.8
179.05565	1.3
189.01881	0.8
191.03505	0.7
193.05093	0.5
194.02229	0.9
195.02972	0.8
197.06064	5.6
198.06752	1.3
199.07651	2.2
207.02971	1.6
213.05489	0.9
213.91110	0.3
215.07190	0.7
219.02951	0.5
242.05878	100.0
243.06613	58.3
244.07005	5.0
255.06573	0.6
285.07755	5.7
297.06158	22.1
298.06482	2.1
328.90567	0.3
405.12000	25.7
405.21317	2.0
406.12357	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	402.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04052	6.8
53.08507	6.4
53.69390	6.1
59.01268	46.4
59.44203	5.1
61.98734	5.8
63.14595	5.8
65.70359	5.5
70.81788	18.8
71.01286	33.9
72.99202	57.1
75.00769	9.6
87.00793	17.2
88.98710	5.9
89.02358	29.8
91.00266	100.0
99.04435	12.3
101.02363	20.3
108.02073	7.1
109.02869	42.0
112.13474	5.1
113.02371	11.0
118.02914	35.6
119.03428	8.3
121.02921	12.7
123.04424	6.3
132.04520	7.7
146.02429	95.9
151.03951	7.5
160.03978	20.7
161.04489	7.2
162.01891	14.4
165.03316	6.2
175.72762	6.0
179.05664	9.9
180.03021	13.7
185.06046	7.2
186.82497	7.1
187.05115	14.9
213.05560	11.8
247.38373	5.6
299.57596	6.2
315.44705	6.0
401.27087	20.4
402.27304	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03333	2.2
59.01269	15.3
61.12634	0.8
61.98719	7.8
69.03322	1.3
70.15417	0.9
71.01272	7.3
71.52626	1.6
72.99192	11.2
73.02828	3.9
75.00765	23.7
83.01290	1.1
83.04916	1.7
85.02848	9.4
87.00776	1.6
89.02348	3.4
89.16086	0.8
96.95375	0.9
96.95887	5.4
97.02860	1.0
98.40443	0.8
99.00794	1.6
101.02343	2.1
109.02841	4.1
113.02335	1.5
115.00288	11.1
119.03403	2.2
125.02361	4.0
135.02959	6.7
135.04472	1.0
137.02310	0.9
141.09027	0.8
151.03964	1.4
153.12856	1.0
163.11275	1.0
169.12292	9.9
171.10217	12.6
175.02446	14.3
193.12302	1.3
195.13879	15.6
196.14323	1.6
197.11826	57.1
198.12103	3.1
205.12524	0.9
207.10344	1.2
211.13385	4.0
221.11824	2.8
223.13361	4.7
225.11290	1.1
227.12872	1.8
235.13405	2.4
239.12923	19.3
240.13203	1.2
241.10851	2.9
241.14554	4.9
245.11739	1.0
251.12854	1.2
253.14436	1.6
263.12866	1.6
267.12366	4.0
269.14127	1.9
279.12442	1.5
281.10367	2.3
283.11948	34.6
284.12280	2.6
285.13510	100.0
286.13904	8.1
305.06683	2.2
307.11884	2.1
315.14651	8.2
316.14774	1.5
325.12830	6.3
336.58777	1.0
339.14648	1.8
343.14093	11.5
367.13831	1.2
385.14948	3.6
400.80756	1.0
403.07022	2.9
403.15131	1.5
403.23587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36214	0.2
52.03250	0.1
57.03332	1.1
57.48773	0.1
59.01263	0.9
65.00210	0.5
67.01785	0.2
69.03329	0.2
71.01263	0.4
81.03353	6.1
82.03661	0.2
83.01279	1.5
83.04900	0.8
85.02866	0.2
85.06486	0.2
87.00796	0.2
89.02323	0.2
93.03349	0.2
95.04934	1.3
96.95924	0.3
97.02815	0.2
97.06483	0.2
101.02345	0.3
105.06999	0.2
106.04121	0.2
107.01276	0.9
108.02097	0.1
109.02856	0.2
109.06490	0.3
111.04433	0.3
111.08156	0.1
113.06019	0.9
121.02892	0.2
121.06523	0.6
122.03661	0.9
122.57381	0.2
123.04430	0.7
123.08074	0.4
124.01571	0.3
125.02374	11.2
125.06059	0.2
126.02692	0.3
129.09108	0.5
131.07079	0.2
135.04446	0.2
135.08092	0.2
136.05240	0.6
137.02376	0.4
137.06010	0.4
137.09644	0.4
139.03951	0.9
147.08052	0.5
149.02420	0.8
149.06030	0.2
149.09714	0.2
151.00322	1.5
151.07545	0.2
153.09148	1.1
155.07079	2.2
162.03186	0.3
165.09158	0.3
166.02722	0.2
167.03503	0.2
168.04202	0.3
177.09233	0.9
191.05519	0.2
191.07095	0.3
193.08611	0.2
195.10243	7.5
196.10471	0.3
197.08138	0.3
203.07256	0.2
214.13902	0.1
221.08195	0.9
235.09821	0.3
237.91180	0.1
239.09268	100.0
240.09608	7.3
263.09259	0.6
281.10434	0.6
303.05289	0.2
341.11035	0.4
401.14560	1.0
401.26730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01044	0.4
59.01262	4.7
69.80021	3.1
71.01270	3.7
72.99199	0.6
80.90151	0.5
81.03365	0.5
85.02836	1.0
87.00771	1.2
89.02342	3.1
96.95881	0.5
99.04435	0.5
101.02398	2.3
109.02838	0.9
112.98724	0.9
113.02308	1.2
115.00282	1.5
119.03381	1.4
122.03667	1.4
123.04395	1.6
125.02335	0.9
137.02385	1.7
138.03133	1.3
139.00417	0.6
142.99800	0.6
151.03949	11.0
152.04739	16.1
153.01897	0.7
154.02660	0.6
161.04572	0.5
162.06764	0.5
163.07582	1.2
165.01823	0.7
165.05524	14.2
166.02690	4.9
167.03397	2.1
173.00943	0.7
175.02480	4.2
178.06323	2.9
179.05534	0.8
179.07013	1.1
180.07884	24.2
181.08206	1.7
193.08693	1.0
195.10210	2.0
206.05846	2.9
207.06326	0.5
209.11826	1.0
221.08211	8.7
222.08516	0.8
224.06912	88.6
225.07246	6.4
239.09271	100.0
240.09602	7.5
281.10355	0.5
341.10962	3.5
342.11444	0.6
401.14639	25.1
401.26788	3.3
402.15128	3.4
402.37271	0.5
412.74197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17168	0.4
59.01262	5.2
64.43500	0.4
69.03348	1.1
71.01276	5.2
71.09093	0.9
73.02838	5.5
75.00736	0.5
78.72915	0.4
83.01304	0.6
85.02845	2.3
85.78205	0.4
87.00807	0.6
89.02335	4.4
93.03384	1.0
95.01279	0.5
95.04947	0.8
96.95924	1.4
99.00820	0.8
99.04435	1.1
101.01786	0.5
101.02335	2.7
103.03907	4.2
108.02112	0.9
109.02844	0.8
113.02384	2.0
119.03436	1.6
121.02859	1.9
123.00849	2.5
123.04443	69.0
124.01586	1.5
124.04783	2.5
125.02406	0.8
137.02376	0.8
138.03146	1.2
139.03949	3.2
151.03917	1.4
152.04686	0.6
153.05521	100.0
154.05859	4.7
161.04619	0.7
163.03951	0.8
165.01904	0.8
165.05582	0.6
166.02631	0.9
167.03502	0.6
179.05556	0.8
191.05615	1.3
195.06624	1.2
207.59595	0.5
239.09274	1.7
281.10355	1.4
283.08252	0.8
297.09915	3.5
315.11133	1.3
341.10959	4.4
359.92599	0.5
371.13559	1.5
401.10333	0.7
401.14505	1.9
401.21976	2.4
401.27084	4.5
402.27533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41895	1.6
55.01770	4.9
57.03333	8.7
57.21369	1.9
58.00473	3.4
59.01266	69.6
61.95091	1.8
61.98712	2.6
69.03347	2.5
71.01270	100.0
71.53792	3.2
72.01600	2.6
72.99197	4.5
73.02836	37.2
75.00774	4.6
75.73068	1.7
83.01276	17.4
85.02847	52.8
87.00772	6.6
89.02340	26.0
93.03324	2.0
95.01290	11.7
96.95917	7.0
96.96857	2.4
97.02859	6.4
99.00774	19.5
99.04433	2.9
101.02351	78.0
109.02859	4.7
111.00822	5.0
113.02362	36.7
114.02641	2.0
117.05518	3.5
119.03423	5.9
123.00800	74.6
124.01601	58.1
124.02531	2.0
125.02444	9.9
129.01863	3.6
131.03436	2.6
131.08141	2.0
134.35654	1.8
135.04411	2.1
137.02361	2.9
137.06027	2.1
138.03171	29.7
139.00294	5.4
139.03951	58.0
140.04269	2.3
143.03456	5.7
149.04425	2.1
150.03174	2.9
153.01907	6.6
159.02919	9.3
161.04489	45.2
165.05545	6.7
167.03503	2.1
177.05516	2.3
178.02808	2.9
179.05630	2.4
191.05516	3.7
193.05107	10.1
193.06641	1.9
203.05539	4.2
205.03522	2.9
233.06693	6.0
239.09315	4.2
269.10373	74.5
270.10730	5.3
277.52203	1.9
279.40680	1.9
283.08307	14.8
293.08951	2.3
341.10953	15.3
401.14645	69.9
401.22455	3.4
401.27225	5.8
402.14975	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	401.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85487	2.8
59.01271	19.2
68.99699	4.7
69.03339	2.4
71.00229	3.4
71.00572	5.3
71.01276	19.9
72.99178	4.4
73.02818	5.0
73.30267	2.0
85.02842	7.7
87.00776	79.4
89.02350	11.0
91.00278	4.5
94.86474	2.6
101.02367	8.0
111.00768	4.2
113.02375	10.2
119.03352	3.5
121.02879	4.9
123.00790	6.5
131.03442	3.3
135.04414	3.9
138.03156	2.8
146.02452	9.1
149.02377	7.5
150.03203	2.6
151.00288	3.2
151.03873	3.3
153.05608	2.7
161.02405	16.0
163.03961	34.0
164.04716	21.2
165.05460	6.9
166.02682	12.5
173.02448	3.4
175.03981	5.5
176.04756	21.0
177.01941	8.4
177.05428	2.5
178.06355	28.3
179.03487	16.1
179.05611	3.2
179.07112	41.0
180.07504	3.2
181.05023	12.0
187.04005	4.4
188.04730	3.8
190.02702	3.3
191.03502	31.2
191.07106	9.9
192.04253	2.9
193.04988	13.4
193.08734	5.6
194.05844	7.8
202.06319	3.7
203.03502	12.4
205.05098	15.3
206.05846	10.7
207.06531	5.2
208.07246	3.1
209.08160	13.5
218.05913	6.8
219.03004	9.7
219.06462	3.0
221.04614	7.0
221.08241	10.4
233.04550	3.3
234.05461	3.6
235.06094	3.3
236.07079	2.9
237.07686	7.1
238.04848	2.8
247.02466	11.9
247.06122	5.7
249.07669	7.9
250.04951	4.6
251.09320	5.7
262.04800	15.1
265.07242	72.9
266.07437	3.4
277.07260	37.7
295.08313	72.3
296.08670	8.2
325.09564	4.9
333.11588	2.5
339.54721	2.9
341.10956	16.2
355.10330	21.0
356.10596	3.6
359.15689	2.6
383.09668	3.8
401.11008	100.0
401.26910	7.6
402.11270	9.8
409.79822	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	401.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
58.00475	2.1
59.01268	51.7
60.01597	0.9
61.98726	9.3
65.90980	1.0
67.21529	1.0
71.01276	42.9
71.51822	1.1
72.01612	1.5
72.99187	2.2
75.00763	1.5
83.01300	1.5
85.02852	7.1
87.00768	4.4
89.02341	63.0
90.02692	1.0
94.70731	0.9
95.01271	2.2
97.02847	1.3
101.02355	24.9
103.00233	1.0
111.00747	1.0
113.02364	17.0
119.03427	22.0
125.02385	1.6
131.03412	3.0
135.31569	1.0
141.60059	1.1
143.03407	4.0
149.04492	1.5
161.04514	5.7
171.02901	1.4
179.05586	25.3
191.05592	15.8
341.10983	100.0
342.11343	7.4
401.05615	1.8
401.26730	1.2
402.07700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1103
Annotation	CHEBI:45068
Peak:m/z	Relative Intensity
59.01265	5.5
60.11932	0.6
61.98702	3.6
70.91882	2.2
71.01272	5.7
72.99205	0.8
73.02841	9.7
81.03346	1.5
83.01318	0.8
85.02846	8.1
87.00761	0.8
89.02352	2.4
93.03365	1.7
95.01271	4.2
96.95941	3.4
97.02840	0.9
101.02345	3.4
103.03929	5.6
108.02083	68.0
109.02876	51.6
110.03192	1.8
111.00782	1.7
113.02351	1.9
113.21356	0.8
119.03411	1.2
121.02859	1.4
123.00800	4.5
123.04442	1.6
125.02347	1.1
131.08189	3.1
133.02962	1.0
135.04413	1.8
138.78236	0.7
139.00323	4.9
139.03934	1.0
151.03966	1.3
152.01094	71.3
153.01897	28.7
154.02278	0.9
157.70763	0.8
159.53438	0.7
161.04491	1.2
163.00258	2.0
163.04004	1.7
163.07674	0.8
165.01971	1.2
167.03381	1.5
173.10379	2.0
177.01935	0.9
179.05664	1.3
187.60522	0.7
191.05554	1.2
195.02960	3.8
209.93423	0.9
210.80193	0.8
297.06259	1.2
341.10962	4.2
344.80655	0.7
371.09872	2.1
383.09879	2.7
384.09940	0.8
401.10968	100.0
401.27112	2.6
402.11301	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	401.1102
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
56.09086	0.4
57.03337	5.7
59.00990	0.6
59.01268	8.9
64.40111	0.4
65.05965	0.5
69.03346	1.5
70.85347	0.7
70.85688	0.6
71.01274	2.9
72.99172	0.5
73.02841	0.6
74.58079	0.4
81.03376	0.7
82.96476	0.4
83.01295	1.3
87.00793	0.7
87.04455	0.8
89.02344	2.7
93.03391	0.6
96.78468	0.4
96.95940	1.0
97.02872	0.7
97.67338	0.4
98.95480	0.8
99.00777	0.4
99.04427	0.4
101.02368	1.2
107.04947	1.3
109.02880	0.5
111.04431	8.0
113.02370	1.2
117.05489	1.1
119.03432	0.7
121.02871	0.8
123.00816	1.0
123.04472	0.6
124.01585	0.5
125.02374	100.0
126.02705	3.2
131.03394	0.5
132.53499	0.4
135.04446	0.8
137.02377	0.7
139.03949	1.2
149.02382	7.3
150.02742	0.5
151.07558	0.5
161.04543	0.8
163.07613	0.4
165.01862	0.5
166.02600	0.5
167.03456	0.9
179.03464	9.8
191.03494	1.0
239.05641	37.4
240.05988	2.6
263.05667	1.5
287.07730	0.9
293.08945	0.6
303.05283	0.5
341.10809	1.9
401.10980	3.4
401.22336	0.6
401.27158	1.2
402.11182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.2
61.98721	100.0
64.01044	0.2
68.22925	0.2
69.90660	0.4
69.91073	0.9
71.69727	0.2
96.95987	0.2
99.04422	0.5
114.45959	0.2
117.23647	0.2
122.89337	0.3
160.94669	0.3
175.12283	0.2
182.48853	0.2
220.06975	0.3
222.75166	0.3
252.13750	0.2
291.19803	0.8
309.20816	5.8
310.21243	0.9
399.25775	0.5
400.10992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64060	0.5
59.01268	1.6
61.98719	100.0
130.75298	0.5
175.88220	0.5
199.18132	0.5
229.21683	0.7
309.20837	7.3
399.21640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.7
58.00469	3.9
59.01269	79.8
61.98692	2.0
65.80708	1.4
69.03333	1.5
71.01274	58.1
71.56201	2.1
72.01616	2.0
72.99196	4.9
73.02842	1.3
76.64252	1.5
83.01259	2.1
83.06814	1.3
85.02850	12.7
86.71136	1.5
87.00782	3.8
89.02343	64.0
89.02901	3.1
93.49727	1.3
95.01293	2.5
99.04424	4.4
101.02349	30.4
108.53918	1.3
113.02355	18.0
119.03429	19.6
143.03445	3.4
146.61087	1.3
149.04565	1.9
151.01703	1.5
161.04503	2.6
179.05609	8.6
193.12296	3.9
211.13399	15.2
220.13441	69.6
221.13786	6.3
275.23825	1.7
301.21707	2.4
341.11032	14.3
400.19855	100.0
401.20313	14.0
401.26816	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	401.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18297	2.0
53.17512	2.0
53.88657	1.9
59.01264	18.0
69.03351	2.4
69.41020	1.8
69.75793	2.0
69.89046	12.0
71.01263	14.4
72.99178	4.2
73.02816	2.6
85.02849	7.8
87.00771	50.4
89.02339	19.9
91.00264	5.8
101.02359	11.5
107.01324	2.1
111.00757	4.0
113.02345	9.4
114.76929	2.0
119.03409	7.6
146.02446	4.4
149.02382	5.8
151.00334	2.8
151.03960	3.0
153.57468	1.9
161.02359	2.4
164.04709	18.3
165.05502	8.4
166.02711	10.3
177.01845	2.1
178.02673	2.3
179.03482	19.1
179.05540	6.4
179.07053	35.5
181.05029	10.6
191.03375	2.2
193.04984	10.1
194.05783	11.7
204.04100	2.9
207.03018	2.7
209.08185	21.0
231.03018	3.4
237.07785	3.5
249.07697	3.6
261.07855	2.5
265.07220	80.3
266.07471	5.7
277.32480	2.6
306.34763	2.5
325.09299	28.8
326.09811	3.5
341.10904	28.0
362.35306	2.1
401.10959	100.0
401.26953	6.6
402.11206	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.115
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
50.75284	0.3
57.03342	5.4
57.39735	0.3
58.47580	0.3
59.01268	3.2
59.97624	0.3
61.98717	0.3
65.00217	0.7
66.28133	0.3
69.31509	2.9
71.01273	2.6
72.12975	0.3
72.99198	3.8
73.02835	0.6
78.95800	1.9
81.03352	3.6
83.01275	6.3
83.04924	2.8
84.16202	0.3
85.02839	1.6
89.02372	0.6
95.01289	0.6
95.04921	0.4
96.95899	0.6
96.96862	0.3
97.02853	0.7
99.00836	0.4
101.02363	1.8
107.01292	0.5
107.04952	1.2
108.71870	0.3
113.02394	1.5
119.04949	0.6
120.99518	0.3
121.06531	0.5
123.04449	0.9
123.08080	0.9
124.01649	0.3
125.02376	100.0
125.05994	8.3
126.02703	3.4
135.04440	0.5
137.02409	0.6
139.03934	0.6
139.07523	0.4
143.07132	0.4
145.04974	0.3
147.08112	0.5
149.02377	1.1
149.06046	1.2
151.00308	1.4
151.03989	1.2
152.99547	3.0
161.04437	0.5
163.04025	0.6
167.03409	0.5
167.07085	1.0
175.09767	0.5
179.03525	0.9
191.03467	2.6
191.07106	2.6
203.03482	0.4
203.09305	0.5
205.03577	0.7
209.04604	0.3
217.05084	4.5
218.05367	0.3
235.06160	9.2
236.06493	0.6
237.71765	0.3
253.07242	6.1
269.06851	1.9
277.07047	0.3
282.99298	0.3
295.08301	7.1
296.08826	0.5
319.08386	0.7
365.13770	0.4
379.10623	0.3
397.11499	73.5
398.11841	8.2
398.17090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20120	0.3
59.01266	0.9
61.98721	100.0
69.75427	0.3
70.76578	0.7
89.02361	0.3
135.84967	0.3
212.56580	0.3
248.64189	0.3
287.01788	0.3
291.19836	1.6
301.03238	0.6
309.20779	11.1
310.21307	0.9
352.48041	0.3
402.15829	0.3
402.34201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31165	0.5
55.96167	0.5
59.01266	2.8
60.06763	0.4
61.98722	3.1
71.62690	1.0
81.14243	0.4
84.52804	0.4
84.69164	0.5
88.30548	0.4
89.32536	0.4
96.95937	0.7
183.04584	1.0
211.03990	1.5
227.03569	1.0
255.03040	34.5
256.03439	2.6
283.02567	100.0
284.02896	9.5
298.04910	82.3
299.05246	8.3
313.07263	93.9
314.07642	9.1
323.00629	0.6
335.15491	1.0
365.01755	1.0
380.04028	0.9
395.06177	0.7
395.24432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	4.0
57.03342	3.6
58.00485	1.5
59.01266	28.9
60.01590	0.4
61.47676	0.2
68.99706	0.3
69.03340	1.1
70.93896	0.3
71.01271	39.2
71.53995	0.2
72.01597	0.5
72.99200	2.7
73.02837	20.0
74.03172	0.4
75.00752	1.1
76.98009	0.2
81.03349	0.4
83.01279	15.6
84.01621	0.2
84.02061	0.2
85.02846	23.9
85.06493	0.7
85.99998	1.5
86.03165	0.4
87.00776	2.1
87.04419	0.4
87.08058	0.6
89.02333	5.1
90.66656	0.2
95.01292	3.0
96.95967	0.3
97.02856	1.7
99.00273	0.1
99.00782	7.2
101.02350	51.7
102.02678	1.2
103.03913	2.7
109.02824	0.2
111.00800	1.3
113.02360	17.2
114.02696	0.3
115.03904	0.6
119.03427	1.1
125.02361	2.1
127.03925	0.5
129.01845	1.3
131.03412	0.4
137.02408	0.2
139.59082	0.2
141.01868	0.3
143.03456	2.2
145.05046	1.1
157.08667	0.5
159.02956	3.4
161.04504	15.8
162.04820	0.6
163.06044	1.2
183.14848	0.2
205.03563	1.1
229.07193	1.1
247.08340	1.1
249.13474	100.0
250.13812	6.6
293.12537	0.8
307.10403	0.3
395.19302	36.9
396.19626	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	397.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61855	4.0
57.50588	3.4
59.01278	18.5
70.67816	9.5
70.68172	5.7
71.01260	10.4
72.99232	3.8
73.02851	4.3
77.25627	3.6
78.95808	4.3
83.01289	8.7
87.00798	6.5
96.95882	17.8
96.96881	8.8
99.00773	10.4
109.02901	12.5
113.02459	4.5
115.00292	15.5
143.85910	4.0
147.04507	5.2
148.05217	12.3
149.02338	4.4
149.06033	100.0
161.02408	27.3
163.03975	4.9
164.04837	3.7
165.05635	3.9
173.00909	3.2
175.02444	9.3
175.03975	18.9
177.01888	21.7
189.05609	4.9
193.05058	15.6
215.94032	3.7
219.02991	27.0
233.04657	25.5
235.05971	4.8
237.04099	47.0
238.04446	4.4
277.03610	15.3
293.06699	17.3
337.05740	73.9
338.06091	6.8
397.11746	5.0
414.83414	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	394.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.9
60.18469	0.3
61.98722	100.0
71.53146	0.4
78.95797	0.7
154.36255	0.3
249.11218	0.3
291.19684	0.5
309.20731	1.4
331.19147	0.9
366.16364	0.3
380.25983	0.3
394.18509	4.6
394.23550	0.4
395.18182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	0.5
61.98721	100.0
62.98431	0.2
69.39748	1.6
84.00838	0.6
96.83699	0.1
96.95953	0.4
98.19844	0.4
198.94640	0.2
291.19760	0.9
309.20868	0.9
367.26843	0.2
376.21384	0.3
394.18509	5.2
395.18951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.2
61.98720	100.0
70.82166	0.8
78.95799	6.0
83.64343	0.2
89.15665	0.3
96.95950	0.3
157.16823	0.3
197.11884	0.4
224.74043	0.3
296.10242	0.7
312.22617	0.4
394.18597	3.4
394.23792	1.6
395.18976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06774	0.2
59.01261	1.1
61.98720	24.3
62.96302	0.3
65.88648	0.3
71.58784	0.2
77.81324	0.2
78.95798	100.0
91.15617	0.2
96.95927	0.5
96.96864	3.6
105.70860	0.2
158.49037	0.2
199.86485	0.2
294.21585	0.3
316.19824	0.5
394.18854	1.3
394.23691	25.3
395.19254	0.4
395.24106	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	393.2273
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
59.01266	19.4
61.98712	8.5
69.37846	9.2
71.01265	3.3
72.99200	2.0
75.90258	1.1
87.00766	1.0
89.02346	2.7
96.95968	2.2
99.00780	2.2
100.50248	1.1
101.02325	2.1
111.63551	1.0
113.02343	1.2
115.00289	3.0
121.02895	1.3
123.20861	1.0
129.09172	2.1
141.09158	6.0
152.99416	1.2
153.12791	2.5
167.10733	1.2
169.12273	3.7
181.12312	8.8
188.49843	0.9
197.11665	1.5
199.13477	1.2
209.11641	4.4
219.10049	6.0
223.09627	1.6
248.10342	4.7
251.09039	2.0
253.10646	6.0
265.21783	1.6
275.20224	4.2
285.18210	1.0
293.21219	6.1
303.19833	1.9
303.23441	5.5
305.21072	1.1
311.22366	56.7
312.22568	5.8
315.19321	2.5
333.20547	100.0
334.20932	10.6
351.20459	1.2
357.41833	1.0
365.18201	10.0
366.18771	1.9
375.21768	1.8
393.23032	5.5
394.23413	1.2
405.66513	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.3
59.11688	0.3
61.98720	100.0
69.82416	1.2
78.95798	12.0
84.00785	0.3
96.95918	0.3
96.96914	0.4
98.19862	0.4
99.43950	0.3
145.57909	0.3
195.95552	0.3
197.11922	0.5
207.73645	0.3
215.77512	0.3
296.09958	0.8
309.20728	0.6
394.18500	4.7
394.23770	3.3
395.24350	0.6
396.87958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81722	0.3
54.88866	0.2
59.01269	0.9
61.98720	100.0
62.98423	0.2
69.30701	1.3
69.31133	1.4
72.72336	0.2
78.95811	1.0
81.75244	0.2
84.00840	0.6
96.95980	0.3
97.02842	0.6
146.47768	0.2
155.11017	0.3
159.41017	0.2
237.27705	0.2
243.77588	0.3
245.47214	0.2
248.60585	0.2
261.11209	0.8
262.11829	1.7
262.14359	0.2
291.19714	0.6
294.11084	0.2
294.21710	0.5
309.20795	3.7
310.21387	0.3
312.22739	0.6
325.10434	0.5
331.18979	2.0
332.19275	0.3
334.20981	1.2
394.18564	5.3
394.23694	0.5
395.19000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01076	1.0
57.03330	3.5
58.00500	1.8
59.01267	43.8
61.98722	10.2
69.03343	1.4
69.97294	1.2
70.74506	3.9
71.01252	1.4
78.95779	4.2
80.91560	1.7
81.15905	1.2
83.04913	2.2
99.08049	4.8
109.06449	1.4
113.09654	11.5
123.08089	1.5
127.07649	1.2
129.09128	11.4
147.11729	4.4
151.11243	2.8
163.11208	2.2
165.12827	6.8
169.12280	3.0
170.44394	1.2
177.12778	1.4
181.12288	7.9
183.13878	3.0
193.12332	2.7
197.10179	1.8
197.11816	13.0
199.13367	4.3
200.04488	1.1
211.13405	21.3
215.10544	4.6
219.10059	29.7
220.10394	2.5
221.11484	1.6
225.39946	1.2
233.11620	84.3
234.12016	7.0
235.11823	1.4
237.09811	1.8
249.13498	2.5
249.22600	1.6
251.11475	5.9
275.20126	1.4
279.10934	2.3
289.17929	4.7
293.12445	7.7
293.21304	10.4
294.21292	1.4
311.22354	100.0
312.22641	9.8
315.19427	4.4
333.20590	10.3
334.21051	1.5
343.62366	1.3
357.73251	1.6
393.22437	18.3
394.22665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.5
59.01268	25.1
60.01609	0.6
60.62046	0.6
61.98722	15.0
66.15363	0.5
69.03326	1.0
71.53004	1.0
78.95793	0.9
83.04929	1.3
95.04926	0.6
97.06513	1.4
99.08051	2.1
99.92477	1.8
109.06507	1.1
111.08051	0.9
113.09639	4.2
119.08604	0.8
122.90836	0.6
123.08075	0.9
125.09613	0.8
129.09145	4.4
139.11232	4.5
147.11710	5.4
151.11259	1.4
153.09190	0.7
153.12827	1.2
163.11266	1.0
165.12807	5.5
167.10811	0.7
167.14380	1.1
169.12320	3.4
171.10175	3.7
177.35327	0.5
181.12314	3.4
183.13901	2.7
191.10831	0.9
193.08485	2.8
193.12317	3.3
197.11815	10.9
197.13550	0.8
198.12106	0.8
199.13359	5.5
205.11946	0.7
207.09908	0.9
209.11653	0.7
211.13412	16.5
212.13739	1.2
215.10524	7.5
216.10901	0.6
219.10046	1.5
231.10129	1.0
233.11615	97.9
234.12016	6.2
237.09834	0.7
249.13498	2.1
249.22345	1.2
251.11449	4.3
252.11543	0.6
259.09683	0.9
265.21863	0.8
275.20306	1.1
279.10895	2.0
283.55441	0.5
293.12540	9.1
293.21274	15.7
294.12729	1.2
294.21637	1.9
305.04755	0.6
311.22363	100.0
312.22739	11.4
315.19531	1.8
333.20660	9.5
334.20862	0.7
361.16663	2.7
363.74652	0.7
377.19516	2.2
393.22571	17.1
394.22803	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	393.227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	3.0
59.01267	25.1
61.98710	1.8
69.03345	1.6
69.39357	6.3
71.01244	0.8
74.51914	0.7
78.95837	1.0
83.04900	1.2
94.82264	0.7
97.06488	1.4
98.19832	1.5
99.08087	1.8
99.92465	1.9
113.09638	9.3
115.47709	0.7
121.06515	0.9
123.08063	0.8
127.07604	1.0
129.09108	6.6
139.11296	1.0
147.11725	3.1
151.11217	2.3
163.11211	1.3
165.12846	5.4
169.12279	2.7
171.10248	1.1
181.12273	5.9
183.13855	2.6
193.12338	2.2
197.11818	9.9
198.12051	1.0
199.13377	6.1
211.11479	0.9
211.13402	16.6
212.13731	1.5
215.10623	5.0
219.10040	22.4
220.10399	1.3
233.11620	43.0
234.12006	2.7
235.09523	0.8
249.13536	2.2
251.11406	6.9
252.11574	1.3
275.20322	1.7
279.10895	0.8
289.18024	2.7
293.12494	8.4
293.21310	11.9
294.12714	1.0
294.21634	1.3
305.04715	0.7
311.22357	100.0
312.22723	11.8
315.19592	4.1
333.20554	29.2
334.20847	3.9
337.96371	0.7
377.19540	8.4
378.20001	0.9
393.22128	14.4
394.21954	3.0
406.05609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	7.4
61.98720	100.0
69.28632	0.6
69.29268	8.6
70.70724	0.6
78.95807	1.4
81.95238	0.8
109.57508	0.8
121.02899	1.5
124.60188	0.7
227.03670	0.9
243.03104	1.1
269.04507	0.8
271.02548	21.8
272.02951	2.1
276.89111	0.7
281.16968	0.7
299.02051	38.9
300.02341	4.2
314.04401	46.7
315.04742	5.1
329.06750	63.5
330.07111	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	392.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.9
61.98721	100.0
66.18306	0.3
71.52750	0.8
78.95811	2.3
80.96294	0.5
85.90711	0.4
98.09719	0.3
111.00813	2.0
116.40453	0.4
261.23706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1333
Annotation	Termicalcicolanone B
Peak:m/z	Relative Intensity
55.45582	3.5
59.01270	57.2
61.98710	11.6
68.73519	3.7
68.96519	3.4
69.64469	12.2
69.64895	16.5
71.01250	10.6
72.99184	4.8
80.04929	5.3
84.45001	3.4
85.02870	5.2
86.32795	3.7
89.02351	8.4
93.97816	3.7
96.95928	7.8
101.02309	6.0
108.02081	4.1
122.06046	6.3
132.04440	5.2
145.57677	4.0
150.05486	7.8
161.04494	4.2
171.10181	3.6
171.40141	4.0
192.02954	13.4
194.04584	10.8
225.11292	4.8
261.13443	10.5
331.12958	4.1
375.12125	6.9
393.13306	100.0
393.18353	5.7
394.13657	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	391.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00111	0.2
57.03341	4.3
58.00473	0.6
59.01268	10.5
61.98726	0.5
63.02491	0.2
65.53957	0.2
66.86338	0.2
69.03336	0.7
69.22998	0.9
69.23427	1.7
71.01269	3.0
71.04903	0.5
72.99195	0.3
73.02822	0.5
83.04915	0.4
85.02837	1.0
87.00775	0.3
87.04408	2.7
87.21165	0.2
89.02340	2.9
96.95927	0.5
97.06491	0.9
101.02359	2.0
109.06509	0.9
111.08068	1.1
113.02344	1.4
113.09623	0.5
113.88371	0.3
119.03432	1.5
119.04134	0.3
123.08073	3.6
125.09640	0.6
127.11226	1.5
129.09172	0.4
131.03380	0.3
135.08092	1.0
137.09663	2.1
138.06792	0.4
138.20905	0.3
139.11209	0.9
141.09183	1.3
143.03404	0.3
143.10712	0.7
149.09673	2.3
151.11288	0.4
153.09148	2.8
155.10744	3.2
157.12294	0.6
161.04492	0.7
167.10733	1.6
169.12285	0.9
171.13893	0.4
173.11757	1.1
179.05556	0.4
184.10977	1.0
186.12573	0.4
187.13373	1.6
187.14850	0.2
195.06702	0.5
206.35585	0.2
216.12013	0.5
216.13841	0.4
217.14406	1.2
234.13190	0.6
263.20181	0.6
281.21356	0.5
299.22241	0.7
301.23959	0.3
302.95166	0.2
305.05014	0.3
325.23969	0.4
327.25040	0.3
331.17859	0.5
343.11929	0.4
343.25058	1.4
345.26462	2.1
347.22919	0.3
391.27127	100.0
392.27481	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	391.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03352	3.5
59.01269	100.0
61.98717	37.9
62.16178	1.8
69.03383	1.7
71.01284	2.9
71.04886	2.6
71.58863	3.0
73.02833	1.9
74.42773	1.7
76.20291	2.2
78.95818	2.3
80.02573	3.0
81.03373	6.1
83.01283	16.7
83.04938	4.3
97.06519	3.9
101.02359	4.6
104.58493	2.4
123.04449	4.1
123.08079	6.7
125.09631	14.8
139.11215	9.7
141.09125	2.5
144.63937	1.8
153.01820	2.3
163.11229	13.9
165.12833	20.0
167.10735	8.2
175.07484	2.7
181.12331	4.6
191.10698	4.8
193.15964	4.6
207.10114	2.2
209.11823	80.9
210.12173	8.0
211.27716	2.2
211.85196	2.0
217.08453	2.2
231.10040	50.2
232.10358	3.9
247.20773	14.5
265.21741	3.7
273.18567	3.2
281.21451	2.1
291.19754	94.6
292.20065	10.7
309.20795	91.1
310.21109	9.6
319.19028	5.7
331.19016	18.0
332.19464	2.0
391.21146	17.0
391.25571	3.1
392.21362	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	391.2347
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.01776	2.0
57.03341	1.7
58.00484	5.1
59.01266	100.0
60.01588	1.2
60.15106	0.2
60.99158	0.2
61.98713	0.2
68.99686	0.2
69.03356	0.4
69.42888	1.2
69.43301	0.4
71.01272	77.2
71.04910	0.4
72.01608	1.2
72.99199	6.0
73.02834	5.9
75.00768	0.6
81.03327	0.2
83.01283	4.5
83.35612	0.2
84.02084	0.5
85.02843	17.1
86.03189	0.4
87.00771	3.5
88.98703	0.7
89.02340	79.8
90.02677	1.4
95.01294	5.5
96.01608	0.3
97.02862	1.0
99.00784	2.8
101.02349	48.0
102.02695	1.1
111.00794	0.2
113.02361	32.2
114.02686	1.1
115.03919	0.3
119.03422	36.5
120.03778	0.8
125.02375	1.4
129.01855	0.4
131.03441	3.0
133.01363	0.4
139.00272	0.2
141.48462	0.2
143.03441	6.4
147.20334	0.2
149.04501	2.6
153.09012	0.2
155.10747	0.6
159.02943	2.1
161.04510	20.9
162.04840	0.6
179.05577	10.7
180.05869	0.3
205.03555	0.5
229.18091	4.4
230.18413	0.3
288.80194	0.2
391.23468	32.2
392.23819	3.9
408.83167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01965	0.2
57.03350	0.6
61.00913	0.4
67.01784	0.4
69.03359	0.6
69.89504	1.4
69.89830	0.2
71.01266	0.3
73.02840	0.4
76.17454	0.2
78.95789	1.2
81.03369	0.2
85.02836	1.4
93.03372	3.3
93.55375	0.2
95.70764	0.2
96.95921	0.5
96.96868	4.0
99.04446	1.1
109.02890	0.2
111.00796	16.2
111.04442	1.8
112.01155	0.6
113.02383	1.0
123.04439	0.2
129.01894	0.4
136.99190	0.2
137.02399	0.9
137.72003	0.2
143.03467	0.5
155.03436	0.4
173.00937	0.7
173.04494	1.8
191.05571	1.7
199.04214	2.6
217.01801	0.5
217.05249	6.5
217.07181	0.4
218.05650	0.3
238.59659	0.2
344.30969	0.2
391.10803	100.0
392.07529	0.5
392.11151	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	391.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67183	0.2
59.01266	4.8
61.80223	0.2
61.98719	2.2
62.96288	0.2
64.22624	0.2
71.01266	0.3
71.52769	0.3
71.53143	0.2
74.79694	0.2
78.95798	100.0
83.93178	0.2
85.02873	0.2
87.00745	0.2
89.02352	0.2
96.95915	0.2
96.96878	3.5
111.00816	0.3
121.02914	0.2
121.58889	0.2
135.85434	0.2
161.04509	0.2
168.04280	0.2
209.11821	0.2
217.00423	0.3
331.17798	0.3
370.86557	0.2
391.19046	7.5
392.19409	0.8
399.95520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.19
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73412	0.1
58.35632	0.1
59.01267	2.3
60.52565	0.2
61.98722	1.1
62.96297	0.2
63.99141	0.3
66.69636	0.2
77.57421	0.1
78.95799	100.0
80.57429	0.1
85.36721	0.1
96.96868	28.2
98.19785	0.5
111.00765	0.2
253.36810	0.1
391.19022	10.8
392.19348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.4
59.01268	100.0
60.01607	1.1
69.41348	2.7
71.01276	7.3
72.99222	0.8
73.02831	0.4
85.02861	2.0
87.00785	0.5
88.25134	0.3
89.02347	12.4
90.02676	0.4
96.95950	0.8
101.02354	4.9
101.02922	0.5
106.06549	0.6
113.02370	3.4
119.03432	5.1
131.03520	0.4
137.02463	0.6
143.03448	1.2
147.04591	0.5
149.04472	0.7
149.45317	0.4
161.04507	1.8
179.05588	2.6
194.29010	0.3
195.03046	0.6
195.06755	0.4
198.05580	0.5
226.05162	1.9
251.62961	0.4
254.04732	1.2
331.17700	2.0
391.18295	1.8
391.27222	2.5
392.07932	1.8
392.27530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96778	0.3
59.01268	100.0
60.01604	1.0
63.05932	0.3
69.54604	0.4
69.55012	1.7
71.01267	3.0
73.02843	1.0
75.61273	0.2
84.20058	0.3
85.02863	1.1
89.02359	1.0
95.01336	0.3
98.20516	0.6
99.00765	0.5
101.02355	2.3
113.02373	1.4
153.09274	0.3
154.26825	0.3
161.04503	2.7
172.41682	0.3
210.52515	0.3
239.75113	0.3
259.10471	0.2
331.17679	2.3
332.18402	0.3
341.59927	0.3
391.19675	0.6
391.27234	2.6
400.70935	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08942	0.3
54.65706	0.4
59.01268	7.9
60.01606	0.4
61.16396	0.3
61.81106	0.3
61.98721	100.0
69.75989	2.1
70.37431	0.3
71.01289	0.5
72.99156	0.3
77.23493	0.4
78.95794	0.4
79.95624	0.6
87.00819	0.4
89.02368	0.3
96.95918	12.4
100.11021	0.3
101.02379	0.4
107.46980	0.3
125.02405	0.4
127.11876	0.3
165.25662	0.3
217.00394	0.7
227.13043	0.4
273.14789	1.5
295.37518	0.3
309.21021	0.9
311.22440	0.4
331.18051	0.6
391.17993	6.3
410.55243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1043
Annotation	Breynioside A
Peak:m/z	Relative Intensity
55.01768	1.9
57.03339	2.2
59.01268	15.1
68.99701	1.9
69.03341	1.6
69.51585	5.0
71.01273	26.7
71.01669	1.5
72.01609	0.9
72.99191	1.2
73.02834	10.1
81.03379	0.7
83.01284	5.6
85.02840	19.2
87.00804	1.4
89.02354	2.2
93.03361	36.1
94.03689	1.1
95.01283	6.3
96.95928	1.0
96.99228	2.0
97.02844	1.2
99.00804	3.1
101.02350	22.7
102.02709	1.7
107.04946	0.8
108.01508	0.5
108.02083	42.9
109.02872	53.5
110.03220	1.6
113.02357	12.4
115.54281	0.6
115.89185	0.6
118.14909	0.7
119.04949	0.9
121.02884	2.7
123.00830	3.3
125.02365	1.0
129.05159	0.6
135.04507	0.8
136.01634	4.7
137.02379	91.3
138.02678	3.8
143.03470	0.7
147.04494	2.2
151.00356	1.1
151.03954	1.9
159.02988	1.7
161.04558	5.7
167.03523	0.9
179.03491	1.2
181.05093	1.1
191.03470	1.4
213.50238	0.7
221.04549	2.0
229.05135	4.3
281.06735	68.9
282.07028	4.4
301.72107	0.7
391.10446	100.0
391.23260	2.6
392.10794	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	389.2194
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01774	8.6
57.03341	5.1
58.00482	2.9
59.01267	58.7
60.01604	1.0
61.65565	0.2
61.98727	0.3
64.47998	0.2
67.11750	0.2
68.99699	0.4
69.03341	0.7
69.39935	2.6
71.01273	63.1
72.01620	0.7
72.99202	3.4
73.02838	26.7
74.03194	0.3
75.00770	1.5
83.01280	17.5
84.01626	0.3
84.02082	0.4
85.02847	34.9
86.03201	0.7
87.00774	3.6
89.02342	12.9
93.64636	0.3
95.01286	4.5
97.02851	1.6
99.00784	9.7
101.02352	100.0
102.02686	2.5
103.03929	0.5
111.00792	0.5
113.02361	28.4
114.02693	1.0
115.03940	0.3
116.30507	0.3
119.03422	3.5
125.02357	1.8
129.01868	1.1
131.03421	0.9
133.82411	0.3
134.31969	0.2
137.07307	0.3
139.32135	0.3
143.03465	3.8
159.02957	6.0
161.04515	33.6
162.04921	1.5
179.05606	1.5
191.14418	0.8
205.03555	1.1
227.16542	2.7
265.36664	0.2
271.15659	1.0
287.18765	2.5
294.56467	0.2
330.51346	0.3
389.21930	36.9
390.22278	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	389.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80629	7.7
58.26222	6.8
59.01269	87.7
69.03346	13.2
69.90002	36.1
71.01280	26.7
73.30737	7.1
78.98474	11.0
79.95640	19.1
80.96408	75.2
83.50372	6.5
85.02841	9.3
93.59534	7.6
94.97966	10.7
95.25507	6.6
101.02341	13.0
118.50258	8.1
148.75925	7.2
152.98485	7.9
164.98598	9.7
179.10707	19.3
197.11832	41.9
211.18597	7.9
225.00745	21.6
237.22198	11.5
255.23337	39.2
299.04517	23.0
389.19159	100.0
389.27118	12.1
389.69501	41.5
390.19431	26.9
396.07910	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	389.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62685	0.8
55.76109	0.8
59.01266	100.0
60.79726	0.7
71.13139	2.2
71.13506	0.8
85.78665	0.7
94.39588	0.8
96.47750	0.9
110.08127	0.8
111.81362	0.7
154.37532	0.8
160.85123	0.9
181.80258	0.7
189.11234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59063	0.4
57.04135	0.4
59.01270	11.0
61.98721	100.0
69.03390	0.5
69.78312	3.1
71.01270	0.9
75.71334	0.5
78.95805	1.6
79.95647	3.4
80.96432	1.7
83.04918	1.1
96.95911	6.5
101.02319	0.6
161.04539	0.7
198.99329	0.5
217.00354	1.0
293.21405	1.6
309.20807	1.1
311.22437	1.7
313.18042	0.5
331.18484	1.1
391.18085	8.4
391.29874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78426	0.5
57.27293	0.6
59.01270	1.6
61.98721	100.0
63.62315	0.5
70.00269	1.1
70.00674	1.8
85.17885	0.6
89.52345	0.5
96.95924	0.7
183.24480	0.8
213.22525	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24050	0.4
59.01268	13.0
60.01601	1.1
61.98721	100.0
71.01289	0.5
71.47675	1.0
78.95809	2.8
90.21848	0.4
96.95949	0.5
104.96714	0.5
112.89304	0.4
115.15434	0.4
136.84651	0.4
147.03162	0.5
167.10812	1.8
168.11125	1.7
175.77646	0.4
318.30997	0.4
348.20490	0.5
413.09802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.219
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01771	4.2
57.03342	5.5
58.00478	2.3
59.01267	54.4
60.01605	0.7
61.98717	1.8
67.01778	1.1
69.03343	1.9
71.01272	100.0
71.04908	11.3
71.62018	0.8
71.84118	0.6
72.01607	2.3
72.99199	4.5
73.02836	26.1
75.00761	1.9
79.47048	0.6
81.03335	0.8
83.01279	10.5
83.04895	0.7
85.02846	41.5
86.03167	1.2
87.00771	6.8
89.02338	26.8
90.02676	0.7
93.03365	2.2
95.01304	5.8
96.95895	0.7
97.02843	2.0
98.03643	2.9
99.00782	11.3
99.04416	0.9
101.02348	56.6
102.02684	1.2
109.06535	0.7
111.00803	1.1
111.04443	0.9
113.02357	36.9
113.37551	0.5
114.02722	1.2
115.82761	0.6
119.03419	8.9
121.02869	0.8
123.08078	1.4
124.05249	2.1
125.02359	2.8
127.05046	0.9
129.01848	1.4
131.03510	0.9
134.03592	0.7
135.04440	3.8
137.09637	4.0
138.06853	0.8
139.07581	10.0
143.03426	4.5
145.06145	3.0
146.02461	0.8
149.04510	1.2
153.09129	6.6
155.10724	44.1
156.11070	2.5
159.02946	8.4
161.02376	1.2
161.04506	38.9
162.04904	1.2
165.12808	0.7
173.04509	1.9
179.05603	3.3
179.75665	0.6
191.05585	38.3
192.05905	2.0
199.09700	1.7
201.16162	0.7
205.03514	1.7
209.15518	1.9
225.15013	1.2
227.16541	67.8
228.16866	5.5
269.17685	0.9
322.31931	0.6
353.08835	6.4
373.21936	0.6
389.06451	2.2
389.17984	0.7
389.22037	12.0
389.26715	0.6
390.22418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2194
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.00257	0.2
53.98116	0.1
55.01516	0.3
55.01774	5.9
56.99684	0.2
57.03339	4.7
57.24945	0.2
58.00201	0.3
58.00481	2.6
59.01267	43.3
60.01616	0.4
60.99189	0.2
61.98713	0.8
68.99712	0.3
69.03339	0.6
71.01273	75.2
71.52116	0.3
72.01614	1.4
72.99204	5.0
73.02838	28.6
74.03193	0.5
75.00765	1.6
81.03350	0.6
83.01280	16.7
84.01620	0.2
84.02068	0.4
84.05655	0.2
85.02847	41.7
85.99990	0.3
86.03191	0.9
87.00771	3.9
87.01275	0.3
89.02342	14.3
90.02677	0.3
95.01286	6.0
97.02854	2.4
99.00784	12.7
99.04437	0.3
100.01132	0.3
101.02351	100.0
102.02683	2.5
102.05491	0.2
103.03907	0.4
111.00779	0.8
113.02363	34.1
114.02701	1.0
115.03969	0.3
119.03427	3.8
125.02378	2.2
129.01886	1.6
130.08640	0.2
131.03394	0.8
139.00250	0.4
142.02592	0.2
143.03450	4.6
145.06152	0.8
146.02437	0.2
146.04539	0.3
149.04541	0.4
153.01886	0.3
159.02953	8.5
160.03297	0.2
161.04507	41.9
162.04860	1.3
172.20467	0.2
173.13272	0.6
179.05580	1.7
179.14384	0.3
191.14380	0.8
205.03496	2.0
207.14003	0.2
209.11806	0.4
209.15437	0.6
227.16573	2.8
229.05104	0.2
269.17719	0.2
271.15582	1.9
287.18677	2.0
288.18729	0.2
341.03601	0.2
355.64316	0.2
356.09650	0.2
357.06055	0.2
389.21924	46.0
390.17911	0.2
390.22235	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	389.2191
Annotation	Rehmaionoside B
Peak:m/z	Relative Intensity
55.01772	5.5
56.99700	0.3
57.03340	5.0
58.00484	3.1
59.01268	49.0
60.01604	0.9
61.98709	1.0
66.95519	0.3
67.01785	0.4
68.99693	0.4
69.03366	1.4
71.01274	100.0
71.04909	15.4
71.61721	0.5
71.62099	0.3
72.01610	1.7
72.05248	0.3
72.99207	4.2
73.02840	25.1
74.03184	0.5
75.00780	1.8
81.03345	0.8
83.01283	10.0
83.04915	0.6
84.02084	0.6
85.02849	38.7
86.03191	1.1
87.00771	3.8
89.02343	27.5
90.02681	0.6
93.03366	1.2
95.01284	6.4
95.04948	0.8
95.08587	0.4
97.02870	2.8
98.03648	4.7
99.00790	10.6
99.01437	0.6
99.04440	0.3
101.02351	56.4
102.02673	1.3
107.82729	0.3
109.06522	0.7
111.00800	1.1
111.04388	0.5
111.08064	0.4
112.05263	0.5
113.02362	41.5
114.02694	1.5
119.02583	0.4
119.03424	8.1
120.03749	0.4
121.06541	0.5
123.08047	1.8
124.05231	3.7
125.02389	2.1
127.07590	0.7
129.01877	1.3
131.03426	1.2
135.04494	2.0
137.02385	0.3
137.09659	5.2
138.06801	2.3
139.00288	0.3
139.07590	15.5
140.08286	0.3
143.03438	4.8
149.04541	0.6
151.07574	0.4
153.09161	9.0
154.09502	0.4
155.10727	53.7
156.11050	2.6
159.01634	0.6
159.02939	9.3
161.04512	49.1
162.04845	1.8
165.12805	0.5
173.04517	5.6
174.04816	0.4
175.45108	0.3
179.03392	0.5
179.04207	0.3
179.05614	3.1
191.05573	1.8
199.09799	1.7
205.03532	1.7
209.15451	1.3
227.16550	93.1
228.16907	7.0
329.06946	0.3
353.08975	1.7
359.11337	1.4
371.06287	0.5
389.21933	13.9
390.22266	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	389.2192
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01769	6.5
57.03341	6.7
58.00495	2.1
58.00731	0.3
59.01267	47.5
60.01615	0.6
61.98683	0.3
67.01784	0.4
68.99736	0.3
69.03342	1.2
69.51687	1.8
69.52093	0.8
71.01271	100.0
71.04900	0.5
72.01614	2.1
72.01978	0.4
72.99200	3.8
73.02837	32.8
74.03177	1.0
75.00771	2.3
79.01264	0.3
81.03358	0.8
83.01277	14.4
83.19292	0.4
84.02073	0.8
85.02847	47.2
85.99974	0.5
86.03193	1.0
87.00772	4.1
89.02344	17.1
90.02680	0.4
95.01286	6.9
97.02859	2.8
99.00784	13.9
101.02348	77.6
102.02680	2.4
111.00809	0.6
112.53254	0.4
113.02359	43.3
113.06010	0.5
114.02704	1.5
115.03970	0.5
117.01829	0.3
119.03440	5.6
121.02995	0.4
123.08115	0.5
125.02366	2.4
129.01003	0.4
129.01852	2.2
131.03436	1.2
137.09685	0.6
138.06859	0.3
143.03441	5.6
149.04453	0.7
151.11223	1.1
153.09192	1.7
154.09499	1.0
155.09711	0.5
159.02942	11.6
161.04504	50.8
162.04852	2.1
179.05595	2.1
181.12381	0.6
191.14488	0.7
195.13994	0.9
197.15446	0.5
205.03482	1.8
207.13925	0.7
209.15492	1.0
225.14983	5.1
226.15314	1.3
227.13297	0.5
227.16631	6.2
228.16893	0.7
239.18016	0.3
271.15576	0.4
287.18646	0.5
389.14291	0.8
389.21942	16.6
390.22345	1.8
407.39240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2194
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01773	7.2
57.03345	4.0
58.00485	3.5
59.01268	47.9
59.06021	0.8
61.98726	1.8
69.03326	1.1
70.68082	1.6
70.68415	0.9
71.01273	96.4
72.01611	1.9
72.99197	5.7
73.02838	37.4
74.03175	0.8
75.00768	2.2
80.55901	0.7
83.01276	14.7
84.02071	0.7
85.02846	49.0
86.03173	1.6
86.32195	0.7
87.00785	4.7
89.02340	16.6
93.03364	1.0
95.01293	7.4
96.95921	1.9
97.02852	3.0
99.00792	14.1
99.04425	1.5
101.02351	99.1
102.02701	2.2
111.00790	1.0
113.02360	44.4
114.02683	2.1
119.03423	5.0
125.02379	2.9
129.01880	2.2
130.08627	1.0
143.03450	7.1
146.02367	0.9
159.02968	12.5
161.04514	54.8
162.04852	2.2
166.06229	0.9
179.05562	1.8
205.03542	3.5
209.15448	1.2
212.05849	1.6
227.16486	4.2
271.15482	2.4
287.18692	1.6
292.23492	0.9
341.46005	0.9
348.75140	0.8
389.13559	2.8
389.21915	100.0
390.22156	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	389.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10144	1.1
57.03342	7.9
57.70029	1.1
59.01270	68.3
61.98720	3.9
69.03349	3.2
70.37197	4.0
70.37608	2.7
71.01273	10.8
78.95803	2.5
80.02563	2.2
81.03370	1.9
83.04934	4.1
85.02863	1.6
89.02339	1.7
93.03353	2.0
95.04941	5.7
96.95948	1.5
97.06502	16.7
101.02355	1.5
102.04253	1.3
109.06521	2.3
111.00838	1.4
111.08082	8.5
117.51077	1.2
123.04443	1.7
125.02341	1.5
125.09636	3.8
149.09705	4.0
151.11227	17.9
153.09174	2.1
153.12785	2.8
155.10757	5.7
163.11246	3.5
165.12798	24.2
167.10704	4.5
169.12331	2.0
177.12721	2.7
179.10736	10.0
181.12317	29.9
182.12799	1.5
191.10773	15.7
191.14413	4.5
192.11147	1.7
197.11790	2.2
209.11835	100.0
210.12154	6.9
211.13419	6.0
217.08376	4.4
217.15839	1.4
227.12894	2.8
233.11607	10.4
245.19131	19.0
248.10391	1.6
249.11101	3.8
260.07687	1.2
261.18692	2.2
263.12766	2.9
263.20221	5.3
264.09830	2.1
265.10535	1.8
271.17181	2.1
279.19781	2.4
285.18420	4.2
289.18155	20.5
290.18753	1.4
291.12326	1.4
307.19260	44.3
308.19479	5.8
317.17502	9.6
329.17432	16.5
330.17908	1.6
345.05560	1.3
389.19440	22.4
389.23669	1.6
389.27332	1.9
390.19836	3.2
390.24152	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	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11855	1.9
51.90773	1.7
52.70167	1.6
56.78162	1.7
57.03329	8.3
59.01268	80.1
61.98693	3.0
69.03332	2.6
71.01276	10.3
71.53084	2.7
73.02857	1.8
78.95787	3.8
80.02583	6.4
83.04916	5.0
91.05419	2.1
93.03320	1.8
95.04923	6.2
97.06485	13.8
101.02332	2.6
109.02887	3.4
111.08074	5.3
123.04448	8.2
123.08112	2.9
125.02409	2.3
125.09647	2.7
127.07506	2.7
147.11685	1.9
149.09645	8.6
151.11198	10.2
155.10716	3.7
163.11171	7.4
165.12804	11.8
167.10770	4.0
168.84929	1.9
179.10732	6.8
181.12325	25.8
182.12611	3.5
189.05409	1.8
191.10747	10.8
207.10028	1.9
209.11800	53.6
210.12128	2.6
211.13152	2.5
215.17943	3.1
217.08458	30.1
217.11909	2.3
223.09566	3.6
223.13383	2.1
231.10036	16.1
232.10628	3.2
233.11612	100.0
234.11952	5.5
235.09547	2.3
245.19196	10.9
247.09419	2.3
249.11133	6.4
253.10654	9.3
259.13266	2.9
260.10287	3.7
263.12650	4.9
264.09903	7.1
265.10568	4.7
267.12170	3.7
279.19809	2.7
283.16815	7.5
285.18472	15.4
286.18716	2.3
289.18265	10.2
307.19235	14.9
311.16235	3.4
315.15918	2.8
317.17395	36.1
318.17715	3.4
329.17438	46.3
330.17511	2.9
337.18692	1.9
361.16360	3.7
389.19308	7.8
389.27203	4.4
390.19910	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	389.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.5
59.01268	63.7
61.98737	1.8
64.44671	1.6
70.66559	1.7
71.01264	2.3
71.52956	2.2
71.53313	2.4
78.95800	5.9
80.02576	4.5
80.91572	2.5
81.03355	7.5
83.01281	10.9
83.04926	5.2
91.72825	1.8
93.03371	2.7
95.04959	3.4
97.02893	4.8
97.06491	11.6
98.06860	2.1
101.02382	2.2
103.21624	1.8
109.02892	1.9
109.06502	2.8
112.37949	1.8
121.06470	3.7
123.04443	10.9
123.08078	4.3
125.09666	16.5
135.08081	4.8
137.09601	12.1
142.02626	2.6
145.02969	2.2
149.06046	3.2
150.46130	2.3
161.09711	2.7
163.11261	19.4
165.09116	1.9
165.12794	6.7
175.07335	2.7
181.12302	5.4
185.11826	14.4
191.10728	3.4
191.14417	18.6
203.10663	2.3
207.10196	12.4
209.11833	87.2
210.12152	7.0
217.16037	2.5
225.11337	10.2
231.10034	64.1
232.10429	3.7
233.11615	3.8
242.33708	1.9
245.19147	34.5
246.19357	2.7
263.20190	3.7
271.17157	4.2
283.16855	2.5
285.18472	4.6
289.18161	100.0
290.18463	10.7
291.12152	4.9
291.19754	4.8
307.19238	68.0
308.19559	5.6
317.17413	7.5
329.13904	2.7
329.17435	25.2
389.19479	17.0
390.19946	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	389.1955
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
57.03331	3.0
59.01271	34.9
61.98718	4.0
69.03339	1.0
70.64701	2.6
70.65096	2.1
71.01285	2.1
78.95799	4.6
80.02603	1.5
80.91584	2.7
81.03363	2.6
89.02337	1.6
93.03374	2.0
95.01300	3.1
95.04928	2.3
96.95953	1.7
96.96845	1.3
97.02856	4.0
97.06485	1.7
99.00817	3.5
101.02332	1.5
106.04150	1.2
107.04967	1.5
109.02869	2.3
109.06532	2.0
110.03710	1.2
111.84509	1.1
121.02863	2.7
121.06536	2.0
123.04459	6.2
123.08096	1.9
123.71957	1.1
125.02394	1.7
125.09669	6.4
125.60244	1.3
127.07523	1.1
128.45335	1.0
129.45587	1.0
131.04871	1.3
135.08075	4.0
137.06012	1.7
137.09654	6.1
139.11244	2.1
141.09151	1.4
147.04425	1.2
147.08141	1.2
148.23923	1.2
149.06061	2.8
151.07654	1.2
151.11235	1.6
156.31519	1.1
161.06017	1.5
163.07628	2.0
163.11253	9.8
164.08401	1.4
167.10793	2.1
177.05440	1.5
177.09122	1.3
179.10643	5.1
181.12274	2.4
185.11784	10.5
189.09175	1.2
191.14391	8.6
207.10072	39.6
208.10426	2.1
209.11821	1.5
217.15967	2.0
219.10019	1.8
223.09721	1.5
225.11426	6.6
243.17647	2.6
245.07999	3.3
245.19113	20.9
246.08574	1.5
246.19489	2.5
247.09569	9.2
248.10281	2.4
257.06879	1.6
271.17136	2.6
278.11514	1.2
283.17316	1.5
283.20486	1.4
289.18188	72.4
290.18451	7.4
301.17075	1.1
303.18274	1.2
307.19241	64.2
308.19620	7.0
311.16266	3.3
317.17279	1.4
317.21371	1.2
327.19751	4.0
329.17419	100.0
330.17795	10.8
345.20810	14.5
346.21213	1.4
361.20435	1.3
371.18753	8.3
389.09293	1.2
389.19830	21.1
390.20068	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	389.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.5
61.98712	0.3
62.96272	0.1
71.39414	0.2
71.39742	0.1
72.89365	0.1
78.95797	100.0
85.54642	0.1
96.41171	0.1
96.96867	3.7
98.19831	0.1
98.28737	0.1
117.23374	0.1
138.65567	0.1
153.42883	0.2
187.22070	0.1
238.51776	0.1
274.66617	0.2
295.63004	0.2
302.29926	0.1
312.58530	0.1
359.07999	0.1
359.20654	0.1
364.29651	0.1
389.12393	0.3
389.17459	6.4
390.17923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
59.98411	0.3
60.01597	1.2
61.98718	4.6
69.59267	0.3
70.73299	0.3
70.73652	0.7
71.01281	1.3
72.18474	0.2
72.61311	0.2
74.98302	0.2
78.95807	0.4
85.02831	0.7
88.32215	0.2
89.02357	0.9
101.02367	0.8
105.57228	0.2
113.02377	1.8
119.03413	0.6
125.55141	0.2
127.72723	0.2
143.03351	0.3
146.04184	0.2
161.04541	1.2
167.10738	40.1
168.11066	2.7
179.05692	0.3
191.10715	0.7
201.07930	0.3
209.11763	0.4
221.11942	0.3
261.38394	0.3
329.15976	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1956
Annotation	Oreskaurin B
Peak:m/z	Relative Intensity
50.63947	1.0
59.01266	39.6
61.98719	4.2
65.56543	1.1
71.01273	3.4
71.62748	2.1
78.95794	3.8
80.02558	1.2
82.96912	1.0
85.02844	2.1
85.08933	1.2
87.04394	2.0
89.02362	2.0
92.25484	1.4
95.04925	2.1
97.02836	1.7
99.92503	1.4
101.02371	2.2
122.99196	1.2
124.41846	1.1
125.02358	4.7
137.05997	3.0
138.06786	4.1
151.11272	1.4
155.10664	2.4
161.09782	1.2
166.48155	1.1
177.04092	3.2
177.80241	1.2
184.10051	1.2
191.14375	1.3
229.08537	1.6
245.19133	4.5
246.08733	4.6
248.10371	4.1
253.10547	2.2
261.18661	2.1
264.20520	1.3
274.11856	2.3
283.16678	2.0
289.18204	7.5
301.18036	3.9
301.21652	2.0
307.19211	28.3
308.19742	3.5
311.16327	4.1
327.14404	1.6
329.17435	100.0
330.17776	11.6
361.15237	6.2
389.23050	1.9
389.27359	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	389.1464
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01758	2.6
57.03326	2.9
58.00488	1.9
58.65976	1.1
59.01267	49.0
61.98714	3.8
69.22942	1.3
71.01272	49.1
71.28636	2.8
72.99200	3.4
73.02842	14.3
75.00752	3.1
83.01283	7.3
85.02847	20.4
87.00771	7.4
89.02337	22.7
89.02841	2.3
92.57161	1.3
94.44199	1.4
95.01290	4.5
96.95940	1.9
99.00780	5.7
101.02348	39.1
109.02840	2.6
113.02362	20.0
119.03429	10.6
125.02377	2.4
131.03427	5.0
134.03638	1.3
135.04430	2.8
137.02379	35.5
138.03157	2.5
143.03452	2.9
144.87712	1.1
152.04744	21.9
153.05481	3.7
159.02925	3.6
161.04489	8.4
167.07123	5.6
179.03459	4.9
179.05589	3.1
184.03746	5.2
191.05614	1.6
193.05125	2.8
194.05870	5.3
197.04570	3.0
209.08246	8.9
212.06892	33.1
213.07335	2.2
221.06645	3.2
227.09265	100.0
228.09593	7.1
301.21826	1.4
321.31342	1.3
323.67572	1.4
329.12341	1.8
337.51532	1.3
389.14642	89.0
390.15155	9.6
393.31967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.165
Annotation	Compound II(R/S)
Peak:m/z	Relative Intensity
59.01271	1.5
61.98719	0.4
69.69382	0.8
71.01256	0.3
78.95805	0.6
79.95630	14.8
80.96430	0.8
88.61636	0.2
96.95918	100.0
97.95850	0.4
165.38298	0.2
199.69656	0.2
291.19720	0.7
303.86432	0.2
309.20734	1.3
389.16479	44.8
390.16815	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01788	0.1
59.01264	0.4
62.96279	0.1
70.91363	0.2
78.95800	100.0
94.19983	0.1
96.96870	49.6
139.90744	0.1
148.53165	0.1
177.21042	0.1
197.52715	0.1
211.48062	0.1
274.15750	0.1
320.10425	0.1
389.17468	12.2
390.17828	1.5
403.33871	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	389.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44373	0.1
59.00994	0.1
59.01268	1.2
61.98719	2.3
62.96287	0.3
63.20798	0.1
70.34765	0.2
70.35165	0.2
71.01287	0.1
72.89412	0.1
78.95799	100.0
89.71096	0.1
96.96863	0.7
101.02359	0.1
135.78987	0.1
139.65945	0.1
146.02419	0.2
344.61127	0.1
360.53003	0.1
389.17462	7.8
390.17957	0.8
413.20135	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	389.1464
Annotation	Reptoside
Peak:m/z	Relative Intensity
50.79588	1.4
57.03333	2.0
58.00482	4.9
58.02248	1.2
59.01266	100.0
61.98722	3.1
67.32138	1.2
70.27202	3.9
70.27593	2.9
71.01273	71.7
72.99192	7.3
73.02849	3.4
81.97205	1.1
83.01301	2.6
85.02847	10.5
87.00796	2.8
89.02341	78.5
95.01297	4.2
101.02346	38.6
113.02357	26.9
113.03062	2.1
116.64119	1.3
119.03424	33.0
119.04248	2.2
123.17117	1.1
125.02364	2.2
131.03438	3.6
135.04399	1.4
137.02379	7.2
143.03450	3.6
145.55267	1.2
149.04527	1.8
151.03922	2.9
152.04712	2.1
161.02394	14.4
161.04536	4.6
176.04782	10.5
179.03468	23.3
179.05379	6.3
191.07141	4.2
194.05826	30.0
195.06248	1.7
209.08192	73.7
210.08554	4.7
212.06929	5.9
212.08951	1.3
227.09300	12.8
251.04080	1.4
389.14734	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	387.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33282	0.7
50.90238	0.6
59.01268	100.0
60.01593	0.8
71.29106	1.0
75.03178	0.6
83.04909	0.7
85.02865	0.7
89.37661	0.6
94.36382	0.5
104.96275	0.6
145.02977	1.0
153.08546	0.6
169.62149	0.6
196.63222	0.6
222.86223	0.6
235.20607	0.8
253.21768	9.4
254.22067	1.0
309.53876	0.7
387.25540	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	388.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.5
61.98721	100.0
70.86504	0.7
78.95814	1.9
95.77055	0.3
123.11770	0.3
147.31604	0.3
272.85516	0.3
341.40054	0.3
376.04633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93174	0.2
56.36926	0.3
59.01264	2.0
61.21433	0.2
61.98720	100.0
70.59713	0.8
78.95789	0.5
79.95638	1.7
85.02847	0.4
96.95921	7.4
97.02868	0.3
98.19833	0.2
100.50654	0.3
105.89774	0.2
125.02406	0.4
219.94856	0.2
227.13054	0.7
307.19263	0.3
325.20139	0.4
389.16473	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	388.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49685	0.2
59.01267	1.7
61.98720	100.0
68.24381	0.2
71.01265	0.3
71.52757	0.2
71.53194	0.2
72.71700	0.2
75.48396	0.2
78.95790	0.3
84.67229	0.2
86.77390	0.2
89.02332	0.2
125.02363	0.2
161.04581	0.2
165.98012	0.2
209.11903	0.5
228.45708	0.2
248.66415	0.2
307.19208	0.8
326.50345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.7
59.00994	1.1
59.01270	18.2
61.98721	1.3
63.53367	0.6
67.01773	1.9
69.03337	1.0
71.01272	10.0
71.56026	1.1
72.79588	0.6
73.02843	1.9
85.02847	5.0
87.00773	1.2
89.02344	4.9
93.03360	16.7
96.95894	1.3
99.00758	1.1
101.02368	5.2
107.04922	1.5
111.00768	0.9
111.04417	3.6
113.02349	2.7
119.03432	3.1
121.02878	1.3
124.01560	0.6
125.02367	1.3
135.04454	33.7
136.04797	1.7
137.02371	3.0
148.07948	0.6
155.03438	3.8
161.02400	0.9
161.04529	1.2
166.02696	3.8
167.03419	1.1
173.04517	100.0
174.04817	3.6
179.03477	9.7
183.66801	0.6
191.05588	25.9
192.05913	1.0
215.17770	0.7
219.28517	0.6
269.17780	0.9
329.08951	2.5
353.08859	24.2
354.09186	1.9
389.06635	2.7
389.13077	0.9
389.18207	12.9
389.22293	1.4
390.18561	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	18.8
59.01254	44.4
63.06149	9.3
66.82705	9.6
71.01269	15.6
71.37576	10.1
71.62601	12.2
81.31850	8.7
85.02853	24.4
89.64688	10.1
101.02338	12.5
103.07741	9.7
108.48560	8.9
191.34486	8.9
387.25552	100.0
388.25949	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26170	10.3
59.01261	48.1
61.32109	9.8
71.01276	17.3
71.55804	12.8
78.60571	11.0
84.98827	9.2
85.02873	16.4
89.02320	10.5
104.56895	9.6
117.03362	11.6
121.02859	10.3
145.02849	13.4
180.64615	9.4
204.11630	15.7
217.16039	17.5
228.15167	10.4
271.20752	30.8
289.74420	9.3
312.49649	10.7
315.19785	59.9
317.21417	11.4
369.24472	34.6
387.25464	100.0
388.18576	11.2
388.25406	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	387.1307
Annotation	Swertiajaposide A
Peak:m/z	Relative Intensity
53.30123	0.3
53.32629	0.3
57.03377	0.4
59.01267	2.7
71.01263	1.7
73.02832	0.3
83.04897	0.3
85.02821	0.7
89.02333	1.6
93.31886	0.3
96.95911	5.8
101.02351	1.1
103.92226	0.2
113.02374	0.5
115.86501	0.3
119.03381	0.7
123.03600	0.2
123.04437	4.9
123.05289	0.4
136.05223	0.8
137.02388	0.6
137.06029	0.6
147.04448	0.4
148.05238	0.3
149.06001	0.6
150.03165	0.3
151.03957	4.8
153.05519	0.3
163.07565	0.6
164.04770	1.2
165.05536	9.4
166.06314	62.2
167.06639	3.6
179.07137	2.4
180.04245	0.8
180.69020	0.2
181.04852	0.3
181.08679	4.0
191.03442	0.3
192.04277	8.8
193.04588	0.5
193.35043	0.2
207.06619	9.1
208.06958	0.6
210.05334	71.1
211.05693	4.7
225.07698	100.0
226.08047	6.7
267.08789	0.7
301.62695	0.3
375.83691	0.3
387.13068	23.4
388.13318	2.8
399.98199	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1308
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
55.01788	0.3
59.01268	5.3
67.08784	0.4
67.40631	0.3
69.53060	3.1
71.01275	3.6
73.02861	0.5
81.03318	0.4
83.01280	0.6
85.02854	1.0
89.02336	3.0
96.95928	0.9
101.02354	2.4
101.46315	0.4
102.98520	1.3
113.02360	1.6
119.03439	1.0
123.04433	4.9
136.05247	1.0
137.02397	1.0
137.05989	1.1
147.04462	1.1
148.05344	0.4
151.03960	4.6
161.04497	0.9
163.07579	0.7
164.04761	1.0
165.05530	22.5
166.06316	74.1
167.06664	3.4
170.05675	0.4
175.04041	0.4
180.04286	0.4
181.08675	7.3
182.09042	0.7
192.04268	9.5
192.05937	0.8
193.04659	0.7
199.68217	0.3
207.06636	16.4
208.06989	1.3
210.05331	87.2
211.05696	5.4
225.07700	100.0
226.08037	5.7
372.10623	4.0
373.10995	0.4
387.13074	74.2
388.13434	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	387.1308
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
57.03335	1.7
59.01270	10.7
69.53553	4.4
71.00901	0.8
71.01273	9.8
71.04914	0.6
72.99207	1.1
73.02847	2.8
81.03353	3.9
83.01271	3.8
85.02844	4.6
87.00764	1.1
89.02343	4.0
95.04921	0.7
96.95915	3.2
98.19869	1.2
99.00791	1.5
99.04470	0.9
101.02355	8.0
102.98506	0.8
109.02871	1.0
113.02343	3.9
119.03436	1.2
119.04928	1.2
121.02833	0.8
125.02372	20.1
125.38981	0.6
126.02623	0.7
131.08179	1.7
137.02327	3.0
137.06020	1.2
138.03177	3.2
148.05295	0.7
149.02348	1.1
149.06041	0.9
149.72333	0.6
150.06738	0.7
151.00377	0.9
151.03960	3.3
152.01122	0.7
153.01851	1.5
155.08203	1.9
155.10683	0.9
159.02881	0.7
161.04497	2.7
163.03946	1.0
163.07863	0.6
165.05498	0.8
166.06326	13.8
167.03351	0.6
167.06609	0.8
181.05162	0.7
181.08704	2.3
192.04280	1.7
197.10506	0.7
207.06610	10.6
208.07037	0.8
210.05339	29.9
210.07353	1.5
211.05756	0.9
215.11511	1.8
225.07697	100.0
225.14914	2.4
226.08032	6.9
341.10794	0.7
371.28549	0.6
383.90839	0.7
387.12976	13.4
387.20642	4.9
388.13150	1.5
388.20984	0.9
413.03540	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	387.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06229	0.3
55.01777	1.8
57.03342	6.3
58.00495	1.6
59.01267	33.5
60.01605	0.4
67.06718	0.2
68.99693	0.3
69.03345	0.7
69.41757	2.1
71.01271	54.4
71.04913	3.3
71.52266	0.2
72.01605	1.1
72.99193	2.3
73.02837	11.3
74.03163	0.3
74.46366	0.2
75.00771	1.3
81.03351	1.2
83.01279	5.1
83.04919	0.5
84.02053	0.3
85.02844	18.4
85.99985	0.3
86.03183	0.4
87.00772	2.7
89.02341	22.0
89.71287	0.2
90.02710	0.4
93.03391	0.7
94.49621	0.2
95.01294	4.3
95.04922	1.8
96.95912	1.2
97.02852	3.3
97.03412	0.4
98.03645	0.4
99.00787	4.8
99.04410	0.6
99.08073	0.6
101.02348	28.6
102.02689	0.6
109.02901	0.4
109.06513	1.8
111.04426	1.4
113.02360	21.2
113.05999	0.6
113.09626	0.6
114.02701	0.5
115.03967	0.3
119.03426	8.7
121.02810	0.2
122.03643	0.5
123.08094	1.7
125.02371	1.7
125.06030	0.7
127.00260	0.3
129.01875	0.9
131.03438	0.8
131.08199	0.3
135.08125	0.9
136.05254	0.4
137.02353	1.3
137.06021	1.1
137.09673	1.8
138.06801	27.8
139.07077	1.1
143.03438	2.5
144.03926	0.3
145.08713	0.2
149.04492	0.8
149.09668	0.5
150.06770	0.3
151.07559	0.7
152.08423	0.6
153.09157	65.5
154.09489	3.2
155.10732	0.6
159.02943	4.4
161.04506	23.1
162.04903	1.0
163.11241	0.7
165.12764	1.2
179.05611	2.9
181.12221	0.3
192.11566	0.4
205.03542	0.9
207.10106	0.3
207.13899	6.1
215.11430	0.3
225.14970	100.0
226.15323	8.1
249.06216	0.4
309.70242	0.2
316.62506	0.2
360.09311	0.2
387.09518	1.2
387.20337	7.1
388.20828	0.6
405.36670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	0.3
61.98719	100.0
69.75439	0.8
69.75848	0.7
98.19850	0.2
104.55192	0.2
105.83168	0.3
117.18037	0.3
119.88264	0.3
184.49942	0.3
203.67024	0.2
209.11906	0.3
260.69922	0.3
305.17538	1.1
409.56906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65007	0.6
52.17521	0.5
52.77650	0.5
55.80830	0.4
59.01264	2.0
61.98717	100.0
69.83765	1.2
69.84186	2.2
85.02859	0.6
88.46160	0.5
98.19831	0.7
101.02334	0.6
110.49023	0.5
113.02378	1.0
123.44006	0.5
141.01604	0.5
164.32693	0.5
194.44098	0.6
249.11096	0.9
352.28146	0.6
387.25589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0945
Annotation	Ixoside
Peak:m/z	Relative Intensity
55.01783	0.1
57.03338	7.5
59.01256	0.4
61.68042	0.1
67.29309	0.1
69.03351	0.2
71.01272	0.4
71.51394	0.2
73.02840	0.5
81.03354	1.3
83.01279	4.2
85.02863	0.3
89.02300	0.1
93.03370	0.3
95.01302	0.2
95.04940	0.6
96.95936	0.1
97.02861	2.6
99.00787	0.6
100.90801	0.1
101.02329	0.2
103.03923	0.3
105.03390	0.3
109.02868	0.2
113.02378	0.1
119.04934	1.4
121.02872	0.4
122.21737	0.1
123.00775	0.7
123.04413	0.2
124.01573	0.5
125.02372	100.0
126.02705	3.7
126.53020	0.1
129.98094	0.1
135.04454	0.2
137.02379	0.3
137.06023	2.7
138.03172	0.2
138.91734	0.1
139.03955	2.5
145.46956	0.1
149.02385	10.2
150.02745	0.5
151.03883	0.2
161.04500	0.5
163.03966	1.8
164.22342	0.2
165.01765	0.2
165.05513	0.2
167.03436	1.5
168.03871	0.1
177.05504	0.3
179.03484	0.8
181.05026	2.6
187.03949	0.2
191.03549	0.3
191.05524	0.2
205.05139	0.3
205.33366	0.1
207.03059	0.2
223.06102	0.2
225.04056	5.8
225.07442	0.3
226.04381	0.3
249.04099	0.7
250.04584	0.2
267.05139	0.4
287.07886	1.7
288.08194	0.3
387.09412	9.5
388.09686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23615	1.0
55.01786	1.6
56.98619	0.9
58.00485	1.0
59.01266	26.0
61.98734	2.3
69.76223	5.4
71.01275	20.5
72.99199	4.7
75.00765	100.0
76.01128	1.4
85.02844	3.2
87.00779	3.1
89.02341	26.1
93.03360	1.5
95.01309	1.5
99.00795	1.4
101.02345	11.3
108.02072	7.3
113.02382	7.5
118.02919	2.0
119.03434	11.9
121.02866	1.5
122.03671	1.6
123.04457	2.3
124.44364	0.9
131.03423	1.1
135.04453	8.9
137.02382	2.6
143.03442	3.5
144.04454	7.2
146.02423	8.0
147.03130	0.9
148.04004	2.6
149.04514	1.7
161.02425	2.0
161.04546	6.1
162.01955	1.7
162.05557	14.1
164.03513	2.1
167.03461	2.5
178.01419	1.8
179.03453	2.0
179.05573	24.1
188.03497	3.4
206.04546	3.1
386.11005	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	386.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	25.5
60.97437	2.5
61.98724	3.7
70.03172	12.4
71.01269	15.0
72.99197	3.7
75.00765	100.0
85.02821	3.7
87.00781	4.0
89.02348	19.1
95.01299	3.5
101.02325	12.8
104.83008	2.3
105.04352	2.7
108.02045	4.2
113.02351	7.2
119.03414	7.2
135.04451	5.4
137.02428	2.3
143.03452	4.5
144.04520	5.7
144.21471	2.4
146.02385	5.4
148.04019	2.3
161.04544	4.7
162.05533	8.8
179.05583	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	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.9
59.01269	48.5
61.98692	4.1
62.25301	3.2
64.13346	3.3
69.39970	10.1
69.40376	26.9
69.95079	3.5
71.01280	17.7
72.14191	3.3
72.90193	3.4
73.02825	18.0
78.20412	3.7
79.04600	3.6
79.07538	3.9
81.07005	3.7
85.02856	10.4
89.02338	11.5
91.41317	3.8
97.06554	5.9
101.02374	11.2
109.06492	8.8
111.04467	4.8
113.02347	14.2
125.06010	8.5
135.08067	7.3
135.11745	14.2
137.02364	11.4
142.94554	3.6
159.08054	5.9
159.11748	14.4
161.09674	36.9
163.11269	4.2
165.01904	11.6
177.12823	18.5
179.09163	4.8
179.10753	100.0
180.11063	4.0
193.12384	9.0
203.10811	5.5
205.08801	9.2
221.11844	47.0
222.12164	4.0
223.09753	40.6
223.13333	5.9
251.12979	7.1
265.10934	45.4
288.06519	7.7
288.84332	5.1
325.13022	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	385.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35168	0.2
54.14137	0.2
57.03338	0.3
59.01259	0.9
69.55343	1.9
71.01260	0.3
89.02333	0.5
91.03909	1.8
97.06455	0.4
99.08047	0.3
113.09622	0.7
113.89181	0.2
115.07558	0.8
127.07547	0.5
128.08321	0.8
139.11258	0.3
139.84750	0.2
165.12857	0.3
167.14374	3.0
183.13911	2.2
195.13898	9.9
196.14262	0.8
196.15990	0.2
211.13423	1.0
213.14963	1.2
239.23840	0.5
241.14455	0.5
242.15320	1.2
249.22235	1.0
250.22688	0.2
265.21811	0.7
267.23288	1.1
275.20197	0.7
283.22916	0.5
293.21313	10.4
294.21677	1.5
311.22363	100.0
312.22705	12.1
318.48773	0.3
334.84930	0.2
336.87201	0.3
350.09262	0.2
385.26151	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35168	0.2
54.14137	0.2
57.03338	0.3
59.01259	0.9
69.55343	1.9
71.01260	0.3
89.02333	0.5
91.03909	1.8
97.06455	0.4
99.08047	0.3
113.09622	0.7
113.89181	0.2
115.07558	0.8
127.07547	0.5
128.08321	0.8
139.11258	0.3
139.84750	0.2
165.12857	0.3
167.14374	3.0
183.13911	2.2
195.13898	9.9
196.14262	0.8
196.15990	0.2
211.13423	1.0
213.14963	1.2
239.23840	0.5
241.14455	0.5
242.15320	1.2
249.22235	1.0
250.22688	0.2
265.21811	0.7
267.23288	1.1
275.20197	0.7
283.22916	0.5
293.21313	10.4
294.21677	1.5
311.22363	100.0
312.22705	12.1
318.48773	0.3
334.84930	0.2
336.87201	0.3
350.09262	0.2
385.26151	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1152
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
51.12616	0.9
52.06520	0.8
52.10519	0.8
55.01759	1.4
57.03338	1.3
58.00486	1.7
59.01267	40.3
64.99311	0.9
70.11658	4.8
71.01273	28.7
72.99196	3.0
73.02852	1.0
83.01281	1.4
85.02843	4.9
87.00796	1.4
89.02343	19.4
93.03368	1.5
95.01300	1.4
96.95935	2.1
99.00772	2.8
99.04453	1.0
101.02341	10.8
111.00816	1.1
112.98718	3.4
113.02360	8.0
119.01293	2.3
119.03432	4.5
119.04954	1.2
121.02884	6.9
134.03772	0.9
135.04474	6.1
137.02371	1.8
142.99806	4.7
145.02910	1.2
147.00813	1.2
147.04443	1.8
149.02385	51.6
150.02815	1.8
152.01099	4.1
161.04488	1.2
162.03171	1.5
163.03943	13.3
164.04749	55.5
165.05188	3.4
166.02666	1.0
169.05066	1.3
173.00839	3.0
174.01674	12.2
175.00336	22.1
177.01947	1.6
177.05519	2.8
178.06300	2.2
179.03561	1.1
179.05690	0.9
179.07097	18.9
179.10701	1.2
180.07462	1.5
189.01826	1.2
190.02698	66.7
191.03445	12.7
192.04082	1.3
193.01390	7.6
203.07150	2.8
205.05058	62.0
206.05807	27.4
207.02994	6.6
207.06255	1.8
208.03755	21.9
209.04355	1.6
211.13379	3.9
217.01437	2.1
221.08203	24.3
222.05399	1.3
222.08531	2.9
223.06137	100.0
223.13371	1.8
224.06494	5.7
232.03839	2.6
235.02509	2.4
237.07661	7.7
241.00281	1.9
247.06216	8.3
250.04877	7.5
251.05551	1.4
251.09314	1.2
265.07248	78.0
266.07513	6.4
295.08319	55.9
296.08627	4.9
307.11926	1.2
325.09366	76.2
326.09613	6.6
367.14008	3.6
382.31976	0.9
385.11441	2.3
385.22287	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1152
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03343	1.6
59.01271	1.8
64.41432	0.2
65.00217	0.6
71.01278	1.7
71.56139	0.4
72.99201	0.5
73.02852	0.2
81.03368	1.0
83.01276	3.0
85.02857	0.9
87.00774	0.5
89.02345	1.2
93.03357	0.9
95.01379	0.2
95.04932	5.3
95.05520	0.4
96.95918	0.3
97.02847	2.6
99.00774	0.5
101.02369	1.0
107.01291	0.6
109.02860	0.4
113.02366	0.8
113.06004	0.5
115.03919	0.7
119.03448	0.3
119.04946	2.1
121.02876	2.7
122.03657	0.6
124.01546	0.3
124.18666	0.3
125.02376	33.4
126.02741	1.3
127.00304	3.6
129.32306	0.3
135.04451	0.9
135.08104	0.3
137.02394	1.0
137.06027	5.6
139.03964	1.3
149.02428	1.5
151.00342	1.1
161.02420	0.4
161.04655	0.4
161.06053	1.9
162.03255	0.3
163.03979	3.0
165.01924	0.6
167.03438	0.7
174.01665	0.6
177.01855	0.3
179.07085	0.8
179.10678	0.3
181.04999	0.5
190.02686	0.5
205.05055	13.0
205.12309	0.4
206.05420	0.8
209.30118	0.3
214.83449	0.3
223.06134	100.0
224.06485	7.4
247.06186	0.7
265.07303	0.7
339.37720	0.2
364.79831	0.3
385.11319	2.1
385.18927	1.0
386.12018	0.3
403.97305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1152
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01272	8.8
62.63725	1.2
66.31711	1.0
71.01270	7.5
71.62038	1.2
72.99189	3.2
73.02827	4.8
75.00749	4.2
83.01286	4.4
85.02837	9.3
87.00760	6.5
89.02341	1.6
96.95909	3.1
97.02869	1.7
99.00772	7.0
101.02322	3.6
113.02378	5.3
113.99509	2.0
115.00277	8.7
119.90557	1.2
125.02355	1.2
135.89641	1.0
141.01877	2.3
149.02487	1.4
153.09109	3.7
163.03928	3.3
164.04686	1.5
174.01660	64.2
175.02394	7.5
176.04855	1.1
179.03537	1.5
186.59892	1.1
193.05000	1.2
197.96239	1.0
205.12350	1.3
209.08116	3.1
223.06104	3.4
237.07776	1.4
267.08798	2.5
277.66638	1.1
295.08359	6.2
325.09290	9.5
326.09689	1.8
377.45410	1.0
385.11508	100.0
386.11917	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	385.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.7
57.03317	0.7
58.00468	2.2
59.01264	44.3
60.01564	0.7
61.98697	0.7
71.01270	27.4
71.12095	1.8
72.99190	2.9
73.02836	1.3
79.49245	0.6
83.01269	1.8
85.02857	5.0
87.00741	0.7
89.02337	18.7
91.01757	0.7
93.03364	1.0
95.01298	1.6
96.95911	0.9
99.00735	1.0
101.02344	12.7
107.04932	1.6
113.02353	8.6
119.01292	2.4
119.03399	5.4
119.04977	0.8
120.03745	0.8
121.02880	6.5
123.00803	2.3
125.02368	1.4
132.02046	0.9
134.03676	2.6
135.04449	4.8
137.02348	1.0
138.03169	1.0
138.93887	0.7
147.00819	2.3
147.04434	2.8
149.02377	56.3
150.02834	2.5
152.01102	2.9
162.03165	1.2
163.03954	14.0
164.04738	64.9
165.01880	2.1
165.05168	3.3
166.02625	2.0
167.03537	1.0
169.05011	1.3
173.02415	0.8
175.00325	22.3
176.00847	1.3
177.05577	5.3
178.06319	2.3
179.03419	0.8
179.05626	0.8
179.07095	21.7
179.10698	1.3
180.07468	2.0
181.05005	2.2
183.06415	0.7
189.01843	1.4
190.02689	72.9
191.03403	14.8
192.04082	1.3
193.01395	5.3
193.05055	1.0
193.08621	0.9
203.07097	2.6
204.04247	1.0
205.05052	69.9
206.05792	30.3
207.02977	6.6
207.06355	2.8
208.03741	16.8
209.04341	2.0
217.01454	2.0
221.02359	0.7
221.08197	30.2
222.05330	2.5
222.08517	2.7
223.06116	100.0
224.06453	5.8
232.03816	3.2
235.02538	2.5
237.07715	7.9
247.06094	8.1
248.06760	0.7
250.04872	9.4
251.05418	2.7
251.09119	1.4
265.07227	90.0
266.07584	7.8
277.07190	1.5
289.07324	0.8
295.08289	42.0
296.08615	4.0
301.22672	0.7
310.06891	1.5
325.09360	93.6
326.09714	8.8
341.27185	1.4
372.10220	0.8
385.11789	2.5
400.33514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1151
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.64722	1.0
58.00487	1.6
59.01265	46.1
60.01599	1.9
68.50275	1.1
69.83820	2.2
69.84231	4.4
71.01270	28.0
72.01648	1.0
72.99207	2.4
73.02833	1.8
83.01243	1.2
83.05006	1.0
85.02843	5.0
87.00764	1.6
89.02335	18.2
93.03323	1.3
95.01286	2.6
98.20525	2.0
101.02345	12.1
113.02380	8.2
119.01331	1.6
119.03397	4.0
121.02884	4.9
123.00788	1.4
123.04405	1.0
129.83662	1.4
134.03662	2.6
135.04488	5.4
147.00783	3.0
147.04471	3.0
149.02379	52.7
150.02768	1.7
152.01064	3.5
162.03206	2.0
163.03951	12.2
164.04745	60.3
165.01894	2.6
165.05170	4.3
166.02705	1.7
167.52333	0.9
173.02386	1.7
175.00328	25.1
176.00705	1.3
177.01961	1.6
177.05530	4.0
178.06348	2.6
179.05550	1.0
179.07095	22.1
180.07466	1.1
181.05052	1.9
189.01898	1.3
190.02687	71.1
191.03447	13.5
191.52031	1.1
193.01357	6.4
203.07195	1.9
204.04170	1.6
205.05051	67.9
206.05807	32.2
207.02989	7.0
207.06392	1.9
208.03787	17.0
209.04373	2.8
217.01454	1.6
221.08199	30.1
222.05388	1.8
222.08524	1.7
223.06125	100.0
224.06496	7.5
232.03741	3.1
235.02577	2.2
235.06287	1.1
237.07729	7.6
247.06174	8.9
250.04869	8.3
251.05481	1.9
265.07233	85.0
266.07553	6.1
277.07333	1.7
280.06033	1.2
295.05002	2.2
295.08298	35.6
296.08597	3.6
320.81720	1.4
325.09366	91.1
326.09683	9.5
385.11826	1.4
396.52789	1.1
405.79980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
59.01265	2.4
69.03355	0.5
71.01266	0.9
71.29707	0.3
83.04939	0.4
85.02854	0.3
85.06522	0.3
89.02354	0.7
91.03908	1.9
97.02866	0.4
97.06503	1.6
99.04362	0.2
106.04182	0.2
111.08060	0.4
113.02360	0.3
113.09631	1.6
115.07606	1.2
117.46143	0.3
118.64567	0.3
118.72952	0.2
125.06022	0.8
125.09648	0.3
126.06781	0.4
139.07556	0.2
139.11201	0.7
141.09149	1.5
151.11208	0.6
163.11183	0.3
165.12808	3.2
167.10690	0.7
167.14311	1.5
175.11180	0.3
177.12773	0.3
179.10677	0.3
179.14336	0.4
181.12320	3.1
183.13869	1.1
193.12311	1.2
193.15976	0.6
195.13913	2.0
211.09018	0.2
211.13374	3.0
213.15009	0.6
217.15871	0.3
221.11824	0.3
221.15482	2.3
221.81097	0.2
225.94232	0.2
229.14484	0.7
231.17693	0.4
239.12901	0.6
240.13715	1.2
241.14455	0.6
247.20714	4.4
253.21788	0.3
263.20197	0.7
265.21710	0.4
273.18652	3.0
274.18842	0.4
281.21213	1.5
288.73227	0.3
291.19742	35.9
292.20068	3.9
309.20792	100.0
310.21127	11.5
313.16739	0.6
314.17401	1.7
383.24478	6.2
384.24890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.6
59.01271	5.8
59.34519	0.5
61.74161	0.6
61.98707	0.7
63.76923	0.4
69.03337	0.5
71.01250	5.3
72.99201	0.9
78.95775	0.5
85.02843	2.4
87.00773	0.8
89.02354	3.9
95.01295	1.2
96.95925	1.3
97.06469	0.8
99.00806	0.8
99.04425	0.8
101.02328	2.8
108.02068	0.9
109.02875	1.0
110.00020	0.6
113.02377	2.0
119.03431	1.5
119.05006	1.3
122.03664	0.8
123.00809	21.1
123.04468	0.8
124.01593	22.0
127.00304	3.6
134.03537	1.9
135.04424	0.5
137.02382	23.8
138.03052	1.8
139.03922	1.3
143.03444	0.5
145.02870	1.1
146.03680	0.7
147.08101	0.8
149.02408	10.3
150.03201	3.0
157.17099	0.6
159.04411	0.8
161.04733	1.0
161.06021	5.0
162.03082	0.7
163.03963	60.2
163.07622	1.7
164.01103	19.3
164.04274	2.8
165.01701	1.7
166.02699	0.7
175.07605	1.8
176.04735	1.7
177.01913	12.6
177.05528	4.3
177.09160	2.1
178.02524	1.1
178.09477	0.7
179.07042	0.8
187.04007	1.1
191.07118	44.6
192.07898	69.3
193.08669	33.8
194.08992	2.1
200.04822	0.6
203.07133	18.9
204.07455	1.2
205.08687	0.8
207.06615	1.3
219.06665	1.7
220.07416	44.9
221.08194	100.0
222.08528	7.5
225.07782	0.6
233.08218	4.6
301.12042	0.7
323.17282	1.8
339.11133	1.6
383.13574	46.1
384.10178	0.7
384.14053	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	383.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93498	0.7
53.97894	0.6
59.01273	10.5
61.98734	3.7
67.55132	0.7
71.01262	3.1
71.62974	0.7
72.76310	0.7
73.02827	0.9
78.95759	0.8
84.17840	0.7
85.02864	0.8
87.00738	0.7
89.02341	2.8
91.03915	2.2
97.06503	1.3
101.02367	1.6
113.02351	1.0
113.09633	1.7
134.00185	0.7
137.09645	0.9
139.11133	0.8
141.09114	1.1
161.04446	1.4
165.12823	3.0
167.10648	0.9
167.14407	1.3
181.12302	3.1
183.13831	1.5
193.12343	2.4
195.13890	2.1
204.21086	0.7
211.13429	2.5
217.61259	0.7
219.97763	1.1
221.15498	2.0
229.14442	1.2
240.13686	1.5
247.20729	3.2
273.18704	1.9
281.21384	1.1
291.19742	34.5
292.20197	4.3
309.20801	100.0
310.21204	11.0
311.22235	1.5
314.17477	1.4
323.09937	1.9
333.03540	0.7
341.11029	1.2
383.24524	5.1
384.25018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.7
61.15674	0.2
67.01754	0.2
70.63181	0.7
71.01272	0.6
80.96431	0.2
85.02840	4.4
87.00772	1.2
93.03351	1.5
96.96853	0.3
101.19036	0.2
106.97742	0.2
109.02888	0.4
111.04418	0.7
117.29853	0.2
117.61467	0.2
127.03922	1.3
141.94440	0.2
142.84000	0.2
158.31476	0.2
161.28749	0.2
171.02924	0.4
173.04509	0.7
189.03989	0.2
191.05586	100.0
192.05922	5.1
216.31085	0.2
383.12259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.4
59.01263	1.6
67.01775	0.4
69.39738	0.3
69.40145	2.0
71.01267	0.9
73.02840	0.5
78.95790	0.7
81.03347	0.4
83.04908	0.3
85.02847	8.6
86.03197	0.3
87.00786	2.2
93.03364	2.7
96.96870	1.0
99.04441	0.5
108.29745	0.2
109.02858	0.8
109.40750	0.3
111.04422	0.8
127.03915	1.8
149.02362	0.2
155.03334	0.3
155.36119	0.2
171.03008	0.4
173.04532	0.8
191.05595	100.0
192.05939	3.8
206.89420	0.2
221.78896	0.2
293.25778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80037	0.5
54.84113	0.6
56.58108	0.5
59.01267	3.9
69.37566	1.0
69.37968	4.7
71.01270	2.1
74.41561	0.5
85.02849	1.5
87.00766	1.0
88.00323	1.0
89.02339	2.3
95.01289	6.9
97.06501	1.5
99.00756	0.8
100.78010	0.6
101.02356	2.1
108.94026	0.5
111.00777	0.8
113.02324	0.6
119.03406	1.6
119.04970	0.9
123.00803	100.0
124.01603	58.7
124.02267	0.6
125.01950	2.3
128.68407	0.6
137.02422	0.6
146.03677	0.8
147.04459	2.0
149.02415	2.1
149.06039	2.4
150.03120	1.3
163.03966	4.5
165.05571	2.9
173.02394	0.9
173.04517	0.6
174.03098	1.4
175.07584	1.5
177.05534	67.0
178.05978	4.6
188.08351	0.6
190.02744	0.6
191.03481	15.6
191.07109	0.9
192.04100	1.4
192.07887	1.1
193.08646	0.8
203.07137	18.5
204.07591	1.2
211.59882	0.6
219.06490	0.8
220.07414	21.1
221.08199	49.9
222.08542	4.7
233.08405	1.0
260.16455	0.5
274.07806	0.6
291.98233	0.6
323.09891	0.8
383.13538	17.4
384.13953	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29720	0.6
59.01268	6.2
71.01270	4.7
71.52026	1.3
73.02856	0.9
75.00734	0.7
85.02849	1.2
89.02349	6.8
95.08611	1.1
99.08070	1.8
101.02365	2.6
111.08096	1.3
113.02365	1.9
113.09645	6.6
115.07567	2.7
119.03420	2.8
127.07575	12.8
129.09143	100.0
130.09450	4.0
132.28416	0.7
139.07643	1.0
143.03432	0.9
143.07088	1.0
157.08658	11.7
161.04553	0.9
173.08162	14.6
179.05598	5.1
183.06563	0.8
193.05511	0.6
201.07594	0.6
207.74561	0.6
219.08777	1.2
255.53969	0.7
381.08572	0.7
381.14020	2.9
398.60437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73063	2.3
54.40645	2.2
59.01269	42.7
61.98709	4.2
65.29901	2.2
69.03323	4.4
71.62711	3.9
73.45946	2.2
83.08476	2.4
95.04940	4.4
96.95933	4.2
97.02860	11.6
97.06482	2.7
101.02370	2.3
111.08052	7.4
125.09625	4.3
130.64423	2.5
132.70627	2.4
137.09668	3.5
151.11278	3.1
152.99577	2.6
163.11272	5.5
165.12781	7.5
167.10803	3.7
171.10205	7.7
174.99193	8.3
179.14401	3.7
181.12346	5.1
195.13989	5.3
197.11867	17.8
205.12251	2.9
209.11850	4.8
211.13419	3.6
217.00282	20.0
223.13408	9.9
227.13036	5.7
247.20805	5.4
273.18597	4.0
279.09253	4.7
291.19739	82.1
292.19992	9.3
309.20792	100.0
310.20953	12.5
321.10226	27.8
322.10519	3.2
381.12354	72.1
381.18723	3.7
381.23129	4.0
382.12781	8.6
394.49283	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	383.0781
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
51.04139	0.8
54.57009	0.8
59.01268	7.3
68.99716	1.0
69.61156	2.6
69.61582	3.2
71.01262	2.1
82.06037	0.9
85.02835	1.5
89.02351	2.3
101.02336	2.0
111.08023	1.4
113.02344	1.2
119.06606	0.8
121.02879	100.0
122.03201	4.6
145.02927	0.9
147.04454	3.4
149.02382	2.9
160.11179	1.0
161.04462	1.2
173.02376	1.0
181.06488	4.8
191.03470	10.5
197.11754	1.7
199.07733	0.9
225.05580	8.7
251.07179	3.3
262.75815	0.8
270.30652	0.9
285.05771	2.8
291.19717	1.7
295.06213	11.9
309.20767	3.7
311.09341	13.8
312.09515	1.7
313.07288	18.0
314.07632	1.9
321.24088	1.0
323.09790	2.3
339.08801	16.8
340.09183	2.3
383.07764	33.7
383.11343	1.6
383.24527	1.9
384.08173	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	383.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71880	0.3
59.01257	1.6
63.06898	0.3
69.45452	0.5
69.45855	1.7
70.54817	0.3
71.01270	0.9
72.99189	0.6
73.02847	0.4
78.95788	1.2
81.03331	0.5
85.02848	8.8
87.00764	2.1
93.03370	3.1
96.96857	1.4
98.20515	0.4
99.00772	0.3
104.52444	0.3
109.02183	0.3
109.02879	1.1
111.04426	1.0
113.02346	0.4
119.04935	0.6
127.03939	2.2
133.39973	0.3
134.88400	0.3
161.04498	0.3
163.03918	0.9
171.02977	0.4
173.04480	1.3
181.26437	0.3
191.05588	100.0
192.04224	0.5
192.05913	4.7
195.05058	0.3
205.10655	0.3
209.52374	0.3
217.21170	0.3
238.90698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89849	0.2
54.36258	0.3
59.01285	0.7
61.98720	100.0
66.84614	0.3
69.81038	0.5
69.81441	1.1
76.35764	0.3
78.95793	2.3
86.05030	0.3
125.63320	0.3
133.32246	0.3
143.94983	0.3
152.99522	3.0
171.00594	1.7
252.03735	0.4
293.21478	0.9
320.31909	0.4
341.09903	0.9
378.19052	6.1
378.23926	0.4
379.19159	0.5
391.09610	0.3
400.88876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	100.0
60.01608	1.2
61.98722	0.4
64.56673	0.3
71.01277	0.7
71.50886	0.4
84.87772	0.3
101.02367	1.1
116.81051	0.3
121.72649	0.3
193.12451	0.4
216.61469	0.3
225.15057	0.4
241.48058	0.3
253.10912	0.4
260.09402	0.6
279.44870	0.3
293.63083	0.3
319.21136	1.7
343.25034	4.4
344.25345	0.6
379.21771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2498
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
54.03016	0.2
57.03337	1.4
59.01035	0.2
59.01265	2.5
65.00210	1.3
69.03350	0.3
70.79683	0.7
71.73945	0.2
80.02544	0.4
81.03349	9.9
82.03687	0.5
83.01284	1.8
83.04875	0.4
94.04121	0.2
95.01281	0.4
96.95882	0.3
101.99715	0.2
107.01295	1.3
121.02843	0.4
122.03651	4.7
123.04433	0.5
125.01443	0.4
125.02372	8.8
126.02711	0.4
135.04457	0.4
136.05260	0.5
137.02371	0.5
151.00279	1.5
151.03883	0.4
151.67624	0.2
154.99756	0.2
162.03145	0.5
165.05669	0.3
166.02780	0.3
167.03346	0.3
225.22391	0.3
251.20061	0.3
253.21825	0.9
265.25360	0.3
267.23291	0.3
269.24942	0.3
290.19864	0.2
291.23318	1.0
292.23975	0.2
293.24911	2.6
295.22879	1.9
305.25256	0.3
307.26526	0.6
317.24890	1.7
319.22836	0.3
333.24377	0.3
335.26007	12.7
336.26389	1.8
361.23895	0.7
364.22577	1.0
379.24976	100.0
380.25333	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	379.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.4
59.93493	0.2
71.62169	0.4
77.78915	0.1
88.84716	0.1
93.99023	0.1
122.03652	0.8
123.04445	15.7
124.04781	0.4
136.05247	0.2
137.02376	0.6
137.05997	0.5
138.03181	0.9
139.03951	1.0
151.03957	26.5
152.04564	1.6
154.02724	0.3
155.03516	0.2
156.04242	0.4
165.05533	6.6
166.02650	1.8
166.06224	0.6
179.07100	0.4
193.08708	0.5
207.10240	0.9
221.11845	0.4
224.58104	0.2
235.13446	0.3
263.16708	0.3
277.18204	0.3
291.19690	0.3
319.22931	0.3
335.26053	0.6
363.25433	1.1
364.26285	100.0
365.26614	14.0
379.28635	52.2
379.38770	0.3
380.28979	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	377.2342
Annotation	17-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
53.83377	0.7
57.03338	3.0
59.01260	2.7
65.00230	1.1
67.19214	0.6
70.68902	0.8
81.03354	16.7
82.03681	1.0
83.01285	2.0
83.26458	0.8
83.90532	0.7
94.85285	0.8
101.06049	1.0
107.90132	0.8
122.03658	1.2
125.02382	15.8
151.00314	1.2
223.20789	1.2
249.22246	1.9
251.20113	1.9
263.23798	1.6
273.22464	1.3
274.19727	0.9
291.23456	3.1
293.21295	1.4
333.24457	13.2
333.28159	1.3
334.24631	1.5
362.24567	1.0
377.23422	100.0
378.23761	13.5
401.99826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27001	1.1
57.14789	1.0
59.01262	2.0
61.98719	100.0
69.55102	7.5
78.95796	15.3
88.59224	1.1
96.95927	1.3
96.96852	1.7
108.02116	1.3
122.00655	1.1
148.01608	1.2
152.99525	22.6
153.99843	3.8
191.03467	1.3
227.03523	1.7
243.03049	6.3
255.03006	20.3
271.02542	42.4
272.03018	4.7
299.05560	2.5
300.02829	81.9
301.03159	9.5
315.05188	99.4
316.05524	9.2
333.53146	1.1
378.03976	1.1
378.13800	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	378.0994
Annotation	12-Hydroxydihydrochelirubine
Peak:m/z	Relative Intensity
59.01266	4.6
61.98697	2.7
65.07840	0.8
67.73128	0.8
70.59730	2.8
71.01269	1.4
77.50159	0.8
86.17780	0.8
98.69765	0.8
109.02870	3.3
121.75781	0.9
136.59970	0.8
141.74211	0.9
149.02412	2.1
171.04532	0.9
187.03983	3.1
187.07628	2.0
190.29245	0.8
198.03242	2.1
199.03989	3.8
208.03967	1.2
214.02679	1.3
215.03513	7.3
216.04131	4.5
221.05862	1.1
226.02696	6.7
227.03503	21.6
228.04097	3.4
236.03668	1.2
237.05623	1.9
242.02458	1.1
243.03021	100.0
244.03403	8.3
251.07191	1.9
252.03098	3.6
253.03822	1.3
253.16801	1.0
254.02348	1.2
254.04604	29.3
255.03052	1.3
255.05258	6.3
262.06409	3.8
263.07169	1.1
265.05157	2.6
266.05298	1.0
267.06815	1.2
267.10333	3.2
269.08249	1.4
277.05170	0.8
277.08722	3.4
279.06711	3.4
280.07486	5.6
281.03348	1.6
281.07892	1.3
282.04138	4.3
283.04990	4.7
290.05954	1.2
293.04657	5.2
293.08081	1.6
294.05313	3.3
294.08807	1.2
295.09781	6.8
305.08344	6.7
308.06876	1.6
323.09326	34.6
324.09604	3.4
333.07681	1.1
350.10425	19.1
351.08685	16.3
352.09122	2.3
378.09903	63.7
379.10199	10.6
383.13858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	9.7
61.98722	100.0
71.54529	2.0
75.75199	1.2
83.22354	1.2
111.24053	1.4
217.00252	1.3
218.00487	2.4
255.72519	1.2
320.65826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61594	0.5
57.00755	0.5
59.01273	3.9
60.71647	0.5
61.98705	1.0
62.47893	0.5
71.01264	0.6
79.58527	0.5
96.95898	0.6
114.03439	0.6
138.03416	0.9
155.03683	1.1
167.03717	6.1
170.02509	0.6
183.03246	2.1
187.57440	0.6
190.47050	0.6
194.02324	0.6
195.03230	5.4
207.03250	0.7
212.01137	1.1
217.00226	0.5
222.01945	1.4
223.02754	20.3
224.01263	1.1
224.03152	1.8
227.02280	2.2
239.02261	1.3
251.02295	2.3
252.00636	11.8
253.01158	1.9
255.01761	5.9
278.01028	8.8
279.01797	100.0
280.02130	8.9
283.01303	37.2
284.01697	2.4
305.18042	0.6
349.07452	3.3
350.07486	0.5
376.08347	1.5
377.15936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90580	8.1
59.01260	33.9
69.92477	45.3
71.01264	15.0
89.02337	17.9
101.02319	12.6
113.02326	10.6
119.03368	10.8
179.05453	19.5
191.38962	9.5
213.87729	8.8
215.03320	14.0
341.10974	100.0
377.08774	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2325
Annotation	18-Acetoxygrindelic acid
Peak:m/z	Relative Intensity
51.07016	0.6
57.03296	2.9
59.01271	18.5
59.01540	1.0
65.00181	1.1
65.16059	0.5
67.26810	0.5
69.49261	4.3
69.49682	1.3
73.25021	0.6
81.03347	10.8
83.01240	1.7
83.04896	1.0
93.03325	0.6
95.04933	6.8
97.06497	0.6
99.92422	0.9
107.01261	1.6
113.09650	4.0
115.51553	0.6
121.02847	0.7
122.03679	3.1
124.20543	0.5
125.02370	10.0
144.16716	0.7
149.06015	0.7
149.71780	0.8
151.00240	1.5
176.25362	0.7
177.12680	1.0
179.14334	1.0
195.13895	17.8
196.14180	1.8
235.47787	0.5
237.14519	0.6
247.09561	0.7
249.11172	1.0
249.22279	0.8
277.21802	14.0
278.11353	6.7
278.22192	1.8
289.21921	1.4
291.23337	2.6
293.21185	1.3
295.22867	100.0
296.23206	11.1
299.19940	0.9
300.50836	0.6
315.19736	1.2
315.23129	1.1
317.21063	49.5
318.21411	6.5
333.24445	11.4
334.25168	0.9
338.12476	0.8
339.47531	0.6
341.10895	0.6
359.22009	0.6
360.14081	1.6
361.19962	6.6
362.20120	0.7
377.23413	99.3
378.15744	0.8
378.23837	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	375.167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.0
57.03336	3.9
58.00472	2.0
59.01267	48.6
69.70252	5.7
71.01276	35.4
72.01585	0.8
72.99205	3.9
73.02853	6.1
83.01288	4.6
85.02840	13.0
87.00776	3.2
89.02341	27.6
95.01284	2.6
99.00793	2.7
101.02354	29.0
102.02618	0.8
111.00802	1.3
113.02352	14.2
119.03427	15.9
125.02383	1.5
131.03461	1.4
135.04480	0.9
143.03450	2.9
146.04565	1.2
157.19620	0.8
161.04486	4.4
177.09164	6.3
179.05583	6.7
195.10237	1.0
213.11382	1.5
218.16574	0.8
331.17807	1.7
333.19391	1.0
357.15634	18.5
358.15915	1.8
375.16699	100.0
376.17081	9.8
388.57690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16985	0.6
57.51279	0.6
59.01269	19.2
59.63938	0.6
61.74053	0.6
62.34842	0.7
71.01274	11.3
71.55260	1.0
78.95808	0.7
80.91609	1.6
95.78742	0.8
109.02930	1.9
116.53694	0.7
123.00922	0.8
127.07604	1.2
135.00948	1.3
139.18330	0.7
146.11211	0.6
151.07549	0.9
153.01785	1.3
154.02319	0.7
163.02521	0.7
164.08363	0.8
165.18056	0.9
174.99187	3.4
177.09131	4.1
190.09929	2.3
192.11574	6.8
193.12315	0.9
193.68076	0.7
205.12375	2.5
207.13902	1.8
211.13449	4.3
212.13734	7.0
217.00328	19.2
217.02364	1.4
218.09544	3.3
220.14703	42.2
221.15472	100.0
222.15776	9.1
235.13522	1.7
236.10564	91.4
237.10960	8.4
275.16748	1.0
293.17670	48.5
294.18005	5.0
318.09683	4.4
321.15613	2.2
348.15326	2.6
374.99149	0.9
375.17532	14.7
376.17706	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64061	1.5
59.01271	4.2
93.00050	2.9
98.20569	4.1
103.26427	1.8
111.70790	1.9
145.99843	1.8
159.08472	10.2
159.09561	1.8
161.06229	1.9
209.01279	1.9
291.09195	89.5
292.09363	11.7
302.59747	1.8
359.15442	100.0
360.15567	17.9
375.18594	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	375.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.8
60.31427	0.5
70.54601	1.5
74.98969	2.0
93.00069	1.2
103.43656	0.5
142.47845	0.5
146.12933	0.6
148.03191	0.5
149.01016	0.6
158.88078	0.5
159.08435	10.9
161.06361	3.9
192.26236	0.5
195.66103	0.5
209.01299	2.6
217.07228	1.5
275.05948	1.1
277.07535	2.4
289.07648	1.9
290.07819	0.7
291.09183	93.2
292.09320	12.8
309.10162	1.7
336.24402	0.5
357.13956	1.5
359.15442	100.0
360.15634	16.9
375.14285	1.0
375.18607	9.2
376.18588	2.1
389.09872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	27.5
64.99350	0.7
70.82318	0.8
70.82616	1.4
95.04931	36.0
96.05264	0.9
97.74769	0.5
99.92500	2.1
111.08010	0.7
116.81770	0.7
150.02927	1.4
179.14314	1.3
189.05212	0.9
195.13882	11.7
196.14401	1.3
205.12228	1.4
210.03979	1.0
217.00290	2.1
223.13419	7.8
228.13741	0.9
246.12372	15.8
246.14801	1.3
247.12753	1.3
249.06310	0.9
254.02953	1.1
256.13300	1.8
265.22058	1.1
275.20151	6.6
276.20752	0.9
278.11432	77.9
279.11768	5.9
285.50754	0.7
293.21317	100.0
294.21652	9.6
306.13260	1.2
315.19501	21.0
316.19748	2.2
338.12329	7.0
339.12506	1.2
374.92886	0.7
375.21527	7.3
376.21912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2163
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
56.80508	0.9
57.03334	3.6
59.01266	21.8
59.06676	0.9
72.05292	0.7
84.83266	0.9
93.03364	1.1
97.06480	1.0
113.09638	15.9
116.56472	0.9
121.06493	2.1
139.11223	1.8
167.10703	2.8
176.04549	0.8
177.12817	1.3
179.10693	2.2
195.13870	2.2
217.00325	3.2
217.12164	1.2
217.50635	1.0
247.07040	1.0
247.09442	1.3
247.20705	2.5
249.11078	1.9
249.22195	1.7
272.14001	2.7
275.20517	1.0
293.21307	75.7
294.21579	8.2
315.19476	100.0
316.19870	10.9
326.13541	0.9
375.21448	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	374.1618
Annotation	Isolonganone
Peak:m/z	Relative Intensity
55.59233	0.7
59.01268	15.6
61.98717	2.6
67.01765	2.0
71.01262	3.4
71.01631	0.8
71.58901	1.6
72.99178	0.9
79.97120	0.8
81.03366	2.0
83.28589	0.9
95.01289	3.5
101.02380	0.9
107.01312	3.5
108.02086	2.0
109.02862	11.9
111.00821	6.6
123.00828	6.9
124.01632	5.7
125.02363	2.9
125.50544	0.9
135.00816	9.5
135.21568	0.8
139.00285	1.0
147.03230	2.3
152.01099	10.3
153.01894	13.7
162.01917	3.9
174.99245	4.8
183.13882	3.7
190.10092	0.9
192.11534	2.5
193.12341	1.5
211.13402	100.0
212.13748	6.0
217.00304	14.8
218.09512	1.0
220.14685	11.3
221.15486	28.8
236.10558	23.8
293.17642	14.5
303.16013	1.4
347.15100	27.6
348.15366	3.5
374.16193	65.8
374.99081	1.4
375.16998	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	374.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40060	0.8
59.01263	3.6
61.98722	100.0
70.16150	2.7
82.58977	0.7
83.04943	0.7
98.20596	0.9
103.97224	0.7
120.90987	0.7
125.34097	0.7
217.00323	2.7
260.17535	0.8
358.26184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.4
55.04921	1.0
57.03335	2.4
58.00478	4.9
59.01266	100.0
60.01601	1.4
60.10428	1.0
62.43298	1.0
71.01271	59.5
71.04907	1.3
71.27551	2.8
72.01606	1.3
72.99216	6.1
73.02826	2.1
77.60921	1.0
83.01260	2.3
83.04910	1.8
85.02847	12.6
87.00769	3.9
89.02339	55.2
95.01288	3.3
95.04937	6.5
96.95915	1.5
97.06472	3.5
99.00803	1.4
101.02348	35.1
107.04922	8.7
113.01762	0.7
113.02353	24.3
115.07555	5.8
119.03425	28.7
125.02348	1.3
125.09698	1.9
130.47974	1.1
131.03391	1.7
135.08080	1.2
136.05208	3.6
139.11217	4.3
143.03418	4.3
149.09633	3.2
151.11234	53.6
152.11539	2.6
153.12801	2.5
161.04509	2.8
164.08368	3.4
167.10706	3.2
169.12311	4.3
175.11220	1.2
177.09203	8.9
179.05524	6.7
185.11823	5.0
193.12328	7.2
195.10254	95.5
196.10559	6.6
206.33025	0.9
210.83327	1.1
211.13362	3.8
213.11328	20.1
214.11801	1.4
221.98065	1.0
234.67146	1.1
255.12334	2.1
260.20685	1.1
375.11942	1.3
375.16254	4.9
375.27759	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1149
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
55.98437	0.3
59.01262	2.9
61.98727	1.5
62.99637	0.3
71.01278	1.1
71.19981	0.8
75.35897	0.3
85.02879	0.4
86.81409	0.3
89.02363	1.0
93.03354	0.4
96.95919	2.7
97.28056	0.3
101.02362	1.0
109.02863	2.4
112.68179	0.3
113.02375	0.8
119.03440	0.7
122.03705	0.6
123.04481	0.4
124.01585	0.5
125.02358	0.9
134.03633	0.3
135.04413	0.4
137.02393	2.5
147.04550	0.5
150.03185	0.4
151.00319	0.6
151.03978	5.5
152.04736	62.3
153.05048	3.3
153.05917	0.3
165.05524	1.2
166.02606	0.4
167.03395	0.5
167.05783	0.6
167.07104	7.8
168.07347	0.3
177.02013	0.3
178.02689	8.4
179.03189	0.5
188.04851	0.4
193.05037	12.9
194.05489	0.5
196.03752	38.1
197.04088	2.4
200.22452	0.3
210.05424	0.6
211.06113	100.0
212.06471	5.2
249.07884	0.3
253.07213	1.0
298.08694	0.5
301.55106	0.3
313.10846	1.4
326.22928	0.3
343.12100	0.4
358.10800	0.4
371.95905	0.4
373.11514	24.8
374.11951	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	373.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	11.7
61.98719	1.1
62.41114	0.3
69.37620	3.6
71.01289	0.4
93.03374	1.8
96.46085	0.4
98.32751	0.4
125.05968	0.7
148.08875	1.7
150.10452	1.3
163.11238	1.2
165.12804	24.5
166.13135	1.7
175.11217	0.8
191.14429	0.7
217.15994	0.5
244.10846	4.6
247.20718	13.2
248.21037	1.7
267.60959	0.5
273.18686	6.3
274.19058	0.6
291.19739	100.0
292.20090	10.7
313.17953	13.7
314.18341	1.5
354.35687	0.4
373.20035	17.3
374.20490	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	373.224
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.54138	0.4
55.01775	7.2
57.03342	6.2
58.00478	1.8
59.01268	34.6
60.01594	0.4
61.98713	1.5
68.99706	0.5
69.03353	1.3
69.37942	0.7
69.38346	2.6
71.01273	100.0
72.01597	1.6
72.99206	3.9
73.02839	29.3
74.03189	0.4
75.00768	1.6
81.03349	0.5
83.01282	15.9
84.02072	0.7
85.02847	47.4
85.99995	1.2
86.03184	1.3
87.00764	3.0
89.02341	12.1
95.01295	6.3
96.95932	0.5
97.02853	2.4
99.00785	14.6
100.01143	0.4
101.02351	71.2
102.02691	1.6
111.00787	1.1
113.02362	39.0
114.02726	1.2
119.03420	4.4
124.27425	0.4
125.02392	2.3
129.01822	1.8
131.03456	0.6
133.02991	0.4
139.00346	0.7
139.11174	0.6
141.20503	0.4
143.03441	4.2
159.02946	9.6
161.04507	42.9
161.78497	0.5
162.04825	1.2
167.87708	0.4
179.05522	0.8
197.40974	0.4
205.03502	1.9
211.06021	0.6
211.13388	0.4
211.17043	5.8
224.99251	0.4
297.16714	0.4
338.37164	0.4
359.14282	0.4
373.22418	13.1
374.22662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54138	0.4
55.01775	7.2
57.03342	6.2
58.00478	1.8
59.01268	34.6
60.01594	0.4
61.98713	1.5
68.99706	0.5
69.03353	1.3
69.37942	0.7
69.38346	2.6
71.01273	100.0
72.01597	1.6
72.99206	3.9
73.02839	29.3
74.03189	0.4
75.00768	1.6
81.03349	0.5
83.01282	15.9
84.02072	0.7
85.02847	47.4
85.99995	1.2
86.03184	1.3
87.00764	3.0
89.02341	12.1
95.01295	6.3
96.95932	0.5
97.02853	2.4
99.00785	14.6
100.01143	0.4
101.02351	71.2
102.02691	1.6
111.00787	1.1
113.02362	39.0
114.02726	1.2
119.03420	4.4
124.27425	0.4
125.02392	2.3
129.01822	1.8
131.03456	0.6
133.02991	0.4
139.00346	0.7
139.11174	0.6
141.20503	0.4
143.03441	4.2
159.02946	9.6
161.04507	42.9
161.78497	0.5
162.04825	1.2
167.87708	0.4
179.05522	0.8
197.40974	0.4
205.03502	1.9
211.06021	0.6
211.13388	0.4
211.17043	5.8
224.99251	0.4
297.16714	0.4
338.37164	0.4
359.14282	0.4
373.22418	13.1
374.22662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73097	0.3
59.01255	1.4
59.32838	0.3
61.98699	1.2
69.64050	1.6
69.64471	0.8
113.51322	0.3
121.02855	0.5
165.01854	1.2
185.02429	0.7
188.04762	0.3
188.60588	0.3
190.40782	0.3
198.03177	0.3
201.01953	1.1
202.02702	0.5
210.22858	0.3
213.01936	1.1
215.03343	0.6
216.04361	0.4
219.90535	0.3
227.03490	0.7
228.04253	1.2
229.01447	6.7
230.02028	0.4
230.91623	0.3
231.03030	0.5
240.00620	1.0
241.01491	4.0
242.02155	2.1
243.02989	0.8
244.03792	6.5
245.00914	1.3
245.04050	0.5
255.03038	1.3
256.03827	7.2
257.00940	5.9
257.04504	3.3
259.02509	0.8
268.00250	2.1
269.00995	4.9
269.04108	0.5
270.01651	0.7
271.02545	2.5
271.05420	0.4
272.03290	3.6
273.00510	1.8
273.03412	0.6
275.02045	1.5
283.02530	6.7
284.03320	12.2
285.00507	28.7
285.03937	2.6
286.00903	2.1
286.04025	0.3
287.05643	2.6
288.02896	3.0
288.05859	0.6
297.00479	4.3
298.01208	3.7
299.01920	1.2
299.05692	1.9
300.02847	7.1
301.03424	0.6
304.02408	0.4
311.02097	1.0
312.02820	4.1
312.99957	3.2
313.03632	4.1
314.00388	0.4
314.04111	0.7
315.05194	8.6
316.05463	0.7
328.02316	3.2
329.06805	0.8
343.04675	100.0
344.05035	10.7
358.07034	64.1
359.07413	6.2
373.09381	50.7
374.09738	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	0.9
61.25368	0.2
61.98734	0.6
70.68999	1.0
83.01308	0.2
94.11932	0.2
98.19862	0.3
107.01328	0.5
112.98486	0.4
121.02946	0.3
151.00294	0.6
186.77908	0.3
201.01863	0.5
207.34605	0.2
213.01906	0.5
229.01454	4.9
230.01831	0.3
241.01465	1.1
243.02988	0.5
255.03072	1.4
256.03690	0.3
257.00967	31.0
258.01358	2.3
269.01016	2.6
271.02505	1.2
272.03329	7.8
273.03723	0.3
283.02588	0.9
284.03342	0.9
285.00491	20.5
286.00839	1.4
297.00403	0.3
299.02072	1.2
300.02826	22.7
301.03207	2.2
313.00021	0.4
314.04272	0.4
315.05188	8.7
316.05533	1.1
328.02310	13.8
329.02634	1.5
329.06668	0.6
342.04050	0.3
343.04669	100.0
344.00806	0.5
344.05005	10.4
352.42383	0.3
357.05978	0.5
358.07019	26.8
359.07330	2.6
373.09360	77.7
374.09714	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	373.1148
Annotation	[2aR-(2aalpha,3beta,4alpha,7balpha)]-3-(beta-D-Gucopyranosyloxy)-2a,3,4,4a,5,7b-hexahydro-4a-hydroxy-4-methyl-1H-2,6-dioxacyclopent[cd]inden-1-one
Peak:m/z	Relative Intensity
59.01265	0.8
70.36344	3.2
97.59533	0.8
109.02857	3.6
122.03684	1.4
137.02379	2.7
149.06003	1.3
151.03946	10.2
152.04738	98.5
153.05064	4.6
167.07103	12.1
171.91957	0.8
175.76836	0.8
178.02672	12.6
193.05052	23.0
194.05402	0.7
196.03752	60.3
197.04103	2.6
211.06119	100.0
212.06433	5.2
330.51257	0.7
358.08881	0.8
373.11472	38.8
374.11911	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1509
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
53.47747	0.3
58.99482	0.4
59.01268	1.6
64.56416	0.3
64.99480	0.3
70.54533	1.0
71.01286	0.5
101.02387	0.4
102.98499	1.9
127.75420	0.3
132.02115	5.4
133.02394	0.4
135.51878	0.3
145.02992	0.4
160.01611	13.9
161.01959	0.6
166.06294	2.0
175.04024	0.5
181.08723	1.7
195.08176	0.4
197.06052	2.2
209.06036	0.6
211.04018	5.3
211.07674	0.9
212.04439	0.6
212.08388	0.7
218.09497	1.2
223.07698	0.5
224.08272	0.5
225.05606	1.3
225.09267	0.6
226.06377	1.8
226.10011	1.1
229.08804	0.6
230.09489	0.4
237.05585	0.5
238.06332	0.7
238.10092	0.6
239.03529	0.7
239.07115	0.9
240.07957	1.0
241.08737	1.0
242.09506	18.3
243.09906	1.8
245.08224	4.1
246.08987	7.1
247.09511	0.6
250.06552	0.5
251.07185	0.9
252.04326	0.5
252.07860	0.8
253.05089	1.4
253.08792	1.6
254.05853	0.6
254.09480	2.4
257.08136	0.6
257.11868	11.6
258.09146	0.8
258.12213	1.3
264.08084	0.5
265.05225	0.4
265.08728	0.4
266.06009	0.8
267.06638	0.7
267.10269	0.6
269.08286	1.8
269.11734	1.9
270.09030	19.2
271.09406	2.1
273.07547	0.4
274.08627	0.6
278.05740	0.5
279.06641	0.6
280.07495	1.1
281.04639	6.3
281.08231	2.7
282.05396	1.0
282.08987	9.6
283.09695	2.6
285.07941	0.9
285.11392	20.8
286.11652	2.2
293.08209	0.8
294.08731	0.4
295.09805	3.9
296.10526	1.1
297.07761	2.8
297.11389	0.9
298.08524	17.2
299.08926	2.0
302.08115	1.3
308.07126	0.7
309.07819	2.4
310.08542	9.7
310.12122	0.6
311.09290	11.9
312.09808	1.7
313.10886	9.9
314.11224	0.8
323.09323	5.8
324.10049	5.3
325.07758	0.4
325.10855	14.8
326.08002	17.8
326.11612	7.3
327.08365	2.5
327.12137	1.1
339.12469	4.6
340.13165	5.4
341.10370	100.0
341.13699	4.0
342.10727	13.1
342.14401	0.7
354.40060	0.3
355.11890	2.8
356.12729	54.1
357.13058	6.6
371.15067	87.7
372.15424	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	372.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41445	1.6
53.88540	1.9
59.01262	8.0
61.98720	100.0
69.93726	1.8
71.53601	1.9
82.28769	2.0
100.59138	1.9
108.89485	1.7
109.97517	1.8
123.04411	1.8
140.39041	1.8
207.77969	1.8
241.89398	1.9
309.20859	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	372.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.0
61.98720	100.0
69.29507	6.3
91.30682	0.6
94.33878	0.5
106.07862	0.5
120.03073	0.5
133.47006	0.5
372.24887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30645	0.4
59.01257	0.9
61.98720	100.0
69.19073	4.6
71.46216	0.4
121.06481	0.5
195.62260	0.4
227.13487	0.5
228.44696	0.5
269.16910	0.4
318.05679	0.4
331.36984	0.4
373.20053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67575	1.2
59.01262	2.6
61.98719	100.0
74.28850	0.8
78.31939	0.9
99.89757	0.9
153.67073	0.9
209.95898	0.9
343.04651	3.0
358.07068	2.1
373.09488	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.7
61.51608	0.6
61.98720	100.0
71.48280	1.3
85.06522	0.6
116.66930	0.6
117.63856	0.7
141.84979	0.7
211.06398	0.8
315.44098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64258	0.3
58.51392	0.4
59.01250	0.5
61.98719	100.0
65.45227	0.4
70.71862	0.3
70.72195	1.0
90.13754	0.4
119.51314	0.4
150.01901	0.6
233.59862	0.4
239.46634	0.4
298.45609	0.4
311.77179	0.4
356.06302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	4.8
61.98714	5.1
69.40086	2.1
69.40490	6.0
71.01282	1.4
71.86019	0.8
79.36506	0.8
79.86903	0.8
97.00488	0.9
123.70038	0.8
124.20280	0.8
138.84302	0.7
165.01913	1.1
181.10493	0.9
192.95882	0.9
201.01894	1.2
213.01881	1.0
220.00914	1.0
228.04323	1.4
229.01439	5.3
241.01447	4.1
244.03831	5.6
245.00993	1.0
255.03041	2.2
256.03802	5.4
257.00940	11.4
269.00977	3.9
271.02512	1.8
272.03238	4.8
273.00668	1.9
275.01950	2.1
283.02521	4.7
284.03317	11.0
285.00528	26.4
285.03751	2.0
286.00870	2.5
287.05765	2.5
288.02814	4.2
297.00424	3.3
298.01251	4.0
298.04895	1.8
299.02127	1.1
299.05707	1.9
300.02814	8.3
301.02936	1.2
312.02817	2.7
312.99918	2.6
313.03543	3.7
313.06982	1.9
315.05112	6.6
328.02316	3.4
343.04666	100.0
344.04956	10.0
358.07034	76.6
359.07370	8.0
373.09372	59.7
374.09641	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	371.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17296	0.9
53.13895	1.0
59.01271	4.8
61.98709	2.0
70.69849	1.0
71.01268	5.9
71.52628	1.9
72.99196	5.6
75.00758	5.4
85.02829	11.2
87.00753	5.9
89.02316	2.3
93.03337	3.5
94.51539	1.1
97.02859	1.2
101.02337	1.7
103.00293	2.5
107.38523	1.1
109.02886	3.1
110.72370	1.3
111.00758	1.3
111.04430	1.3
112.94434	1.0
113.02354	1.3
115.00298	1.4
127.03926	2.5
134.99628	1.1
137.02386	1.3
179.05556	3.6
191.01915	3.3
191.05589	100.0
192.05882	2.5
196.28082	1.1
200.35248	1.1
371.08026	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	371.1356
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
59.01268	14.2
60.49514	0.5
61.98698	0.5
71.01273	6.3
71.59951	0.9
85.02832	1.0
89.02361	0.9
93.03367	1.0
95.01299	0.6
96.95916	1.2
97.02868	0.5
101.02354	1.0
108.02079	1.3
109.02856	1.2
113.02383	0.5
121.02893	0.9
122.03654	5.5
123.04438	0.8
124.01591	0.6
125.02406	3.3
126.03165	0.8
130.08678	0.6
134.03665	0.9
135.04469	0.7
136.01521	0.7
137.02385	2.7
137.06006	6.2
138.03116	0.6
138.09167	0.5
149.06030	5.6
150.06760	1.8
151.03951	1.4
154.02701	0.7
165.09167	1.0
185.25201	0.4
191.07106	0.6
192.10248	0.4
194.05817	1.4
200.66805	0.5
209.08191	100.0
210.08554	7.4
223.32980	0.5
227.09296	1.1
270.80334	0.5
283.01773	0.5
371.13620	13.3
372.13916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1357
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
53.75295	0.4
59.01259	1.8
71.01262	1.3
71.55783	0.4
73.02847	0.4
81.03365	2.0
83.04926	5.1
85.02854	0.4
85.06422	0.4
89.02331	0.7
96.95912	1.0
100.07584	1.6
103.98351	0.4
104.04988	0.4
104.22138	0.4
109.02858	1.3
113.02342	0.6
133.06509	1.4
135.04443	0.4
135.08124	0.8
137.02367	0.6
145.09770	0.7
147.04478	0.4
148.03964	0.8
148.05147	0.6
149.06027	17.3
150.06816	36.1
151.07140	2.3
161.04483	0.6
163.07610	7.3
164.07886	0.5
165.05510	2.6
165.09171	29.1
166.05081	1.3
166.09506	1.9
168.76537	0.4
182.05817	11.6
183.06212	0.5
199.18164	1.0
209.08194	100.0
210.04121	1.9
210.08519	6.5
224.05606	0.6
225.16084	1.2
227.09271	0.6
243.17166	4.6
353.20944	1.3
371.13593	26.3
371.21805	14.8
372.14090	1.9
372.22281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1358
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
57.03346	0.7
59.01262	1.2
62.89222	0.1
65.00220	0.6
71.01273	0.5
71.44485	0.3
73.02845	0.2
78.62820	0.1
79.23065	0.1
80.02590	0.2
81.03350	4.2
83.01283	1.1
85.02808	0.2
89.02345	0.3
96.95919	0.3
99.08070	0.6
101.02345	0.3
101.05994	0.4
102.98535	0.3
103.64761	0.1
107.01295	0.6
113.02292	0.1
117.97009	0.2
121.02882	0.3
122.03677	1.7
123.04480	0.3
123.08080	2.0
125.02380	6.1
125.06006	3.3
126.02737	0.2
139.03969	0.2
141.09158	0.3
148.01593	0.2
149.02434	0.8
150.03172	0.3
151.00339	1.4
153.53593	0.2
160.01593	0.5
161.04555	0.1
162.02272	0.2
165.05525	0.4
165.09171	24.0
166.09483	1.2
167.03464	0.5
176.01089	0.5
191.03499	0.4
191.07089	1.0
194.02194	0.2
205.08696	0.2
209.08194	100.0
210.08533	6.5
224.03964	0.2
233.08244	0.5
242.09483	0.5
245.08156	0.2
246.08887	0.2
251.05695	0.4
251.09297	0.8
257.11795	0.2
270.09061	0.6
281.06958	0.2
282.09058	0.3
285.11389	0.4
298.08408	0.5
310.08646	0.3
311.07700	0.8
313.10873	0.4
325.10852	0.6
326.08023	0.5
326.11414	0.3
339.12534	0.2
341.10379	3.7
341.14294	0.3
342.10764	0.3
345.13635	0.3
356.12759	2.0
357.12939	0.3
371.14972	4.1
371.24692	0.8
372.15082	0.3
392.19370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65623	0.4
56.31032	0.4
57.03371	0.4
59.01262	1.9
61.98721	100.0
62.05877	0.4
71.53005	0.9
107.43608	0.5
138.00778	0.5
168.12195	0.5
171.04498	0.7
185.06042	0.7
195.83009	0.5
213.05678	0.6
220.24071	0.5
229.16039	0.7
258.53323	0.5
283.20688	2.6
297.20837	1.4
309.18613	0.7
327.19684	3.5
340.63474	0.6
353.17642	0.7
370.21658	0.5
371.18698	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	371.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.4
67.01787	0.4
69.95020	1.4
71.01283	1.0
72.99199	0.4
73.02845	0.4
77.42094	0.2
78.45145	0.3
81.03342	0.3
85.02859	1.2
87.00772	3.0
93.03364	2.4
107.04954	0.4
108.67680	0.3
109.02905	1.6
111.04431	1.5
115.00415	0.3
121.02850	0.6
123.04436	2.7
127.03930	0.5
129.01979	0.3
134.03650	1.9
135.04456	100.0
136.04778	5.0
137.02388	1.5
149.06007	1.8
151.03908	0.5
153.05574	1.3
155.03438	1.3
161.02385	0.4
163.03961	0.5
164.04742	0.6
165.01939	0.3
167.03488	1.7
173.04501	6.6
174.04881	0.3
179.03462	3.8
179.07100	1.0
191.05588	9.8
192.05896	0.4
197.04570	3.4
235.06158	3.5
249.07957	0.3
295.08295	0.6
341.08917	1.2
353.08905	2.1
371.09915	9.5
372.10211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.5
59.01270	1.9
60.99200	0.3
62.17110	0.2
67.01775	1.2
68.03571	0.2
69.58514	1.8
71.01262	2.2
72.99196	4.0
73.02837	1.1
74.29042	0.2
74.99027	0.3
79.71027	0.2
81.03370	0.3
83.04930	0.5
85.02845	2.9
87.00774	8.6
89.02368	0.5
93.03362	6.6
94.03666	0.4
96.95946	0.6
99.00782	0.3
101.02383	0.6
107.04929	0.6
108.02144	0.3
109.02879	2.0
111.00828	0.5
111.04444	2.9
113.02328	0.3
121.02888	0.6
122.03706	0.2
123.04438	4.8
123.66908	0.2
127.03931	0.9
129.01891	0.7
129.25047	0.2
134.03661	2.3
135.04453	100.0
136.01576	1.5
136.04793	4.9
137.02409	1.9
146.03687	0.7
148.05214	0.4
149.06049	2.2
151.03941	1.7
152.01253	0.3
153.05521	3.1
155.03452	2.6
157.76788	0.3
161.02380	0.7
161.06035	0.3
163.03960	0.7
164.04758	0.7
165.01851	0.3
167.03485	2.0
172.05312	0.3
173.04514	23.9
174.04892	0.9
177.05525	0.4
179.03476	5.6
179.05312	0.3
179.05772	0.3
179.07062	1.7
188.04625	0.3
191.05586	24.3
192.05919	1.3
197.04536	10.6
198.04910	0.6
207.06671	0.4
219.06752	0.4
231.06570	0.3
235.06145	5.2
247.06235	0.4
264.76450	0.3
265.07297	0.7
295.08261	1.2
325.09317	0.3
335.13757	0.3
341.08908	2.2
342.09055	0.3
353.08832	3.2
371.09940	23.8
372.10205	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	369.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72475	0.2
59.01250	0.6
61.84140	0.1
62.96293	0.2
63.63226	0.1
66.26347	0.2
71.07057	0.2
71.07382	0.3
73.66829	0.2
78.95796	100.0
95.96069	0.7
96.96866	34.0
107.92836	0.1
233.59125	0.1
245.18027	0.2
324.90353	0.2
355.24316	0.2
369.22070	16.9
370.22385	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	370.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50950	11.1
54.02141	11.5
59.01273	100.0
61.98715	39.7
64.51281	12.6
70.00680	42.6
70.01099	23.2
71.01273	68.2
77.46962	12.8
81.16318	10.1
85.02853	12.2
89.02365	61.7
101.02359	28.9
113.02343	19.2
118.02898	14.3
119.03392	15.0
121.02853	16.8
125.02312	14.0
134.05139	10.5
136.03912	18.5
139.03947	10.9
146.02391	12.2
148.03951	34.1
152.03413	13.6
164.03481	37.5
172.17711	11.4
176.05315	12.8
179.05580	41.7
190.01532	16.0
190.03362	23.0
190.05103	14.2
191.04625	49.6
195.78586	10.3
213.75475	12.6
214.00049	13.6
329.18564	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	370.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78567	1.4
58.46842	1.3
59.01263	4.3
61.98720	100.0
79.19840	1.4
82.00507	2.6
84.53757	1.4
96.53751	1.4
98.45152	1.3
110.85076	1.3
112.19188	1.4
116.70763	1.4
121.02874	49.3
122.03217	3.8
136.01549	2.2
150.62621	1.5
152.01102	1.9
178.02679	16.2
178.52736	2.4
211.58864	1.4
304.06641	1.6
313.07245	7.8
314.07504	1.5
320.01190	1.4
326.06296	10.7
326.56247	3.5
383.07739	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1662
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
52.54531	1.2
53.44444	1.1
59.01265	12.5
60.05383	1.4
61.98712	1.7
71.52965	2.3
75.34214	1.4
93.42767	1.2
97.06483	1.5
101.02361	1.5
111.08034	8.4
151.11293	1.8
169.12276	2.7
172.29004	1.3
197.11832	31.1
198.12044	1.8
211.13367	4.1
219.10031	5.3
233.11789	1.7
246.91600	1.6
263.20187	2.3
269.08081	7.2
291.19772	5.6
295.22794	1.4
307.10391	3.7
309.20786	18.4
310.21024	3.7
367.16620	100.0
368.16989	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	368.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	6.9
61.98722	100.0
71.01292	2.0
71.59109	1.8
74.61064	1.2
78.61790	1.2
83.68896	1.0
109.06495	1.8
139.75687	1.3
149.06041	9.7
150.06349	7.1
163.11160	1.6
167.47794	1.2
180.98058	1.1
199.09727	2.6
207.10292	3.2
225.11433	1.4
277.18048	1.5
305.17664	1.7
311.22272	1.5
353.22916	3.3
368.20605	5.4
368.25244	3.7
369.17661	3.5
369.22900	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	368.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54089	4.9
59.01258	45.6
61.98708	6.3
69.03329	4.8
71.01274	82.5
72.99187	6.5
81.03342	8.0
83.04906	10.3
97.02871	11.8
97.06505	11.7
109.06512	82.7
113.02264	5.1
135.08107	7.6
142.02637	6.6
163.11252	37.8
164.11386	5.5
171.10164	8.7
178.73022	4.7
181.12309	18.9
195.11237	5.0
199.09698	20.6
207.10260	100.0
208.10664	6.7
215.12863	7.2
225.11313	41.5
226.11656	5.6
243.12372	6.3
270.89587	5.3
276.28751	5.7
331.19089	5.4
332.19296	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	368.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66897	3.3
56.86086	3.2
59.01274	19.7
61.98726	9.1
63.50727	3.7
71.01263	9.0
72.02074	4.6
72.04784	3.6
73.02839	11.0
85.02842	8.1
93.42860	3.4
95.04923	28.5
97.06487	6.4
100.01556	12.4
107.04929	4.0
109.06509	4.1
115.07545	17.3
118.11954	3.4
127.07564	16.6
139.06711	4.0
139.07579	22.9
141.09169	4.3
151.07602	5.9
151.11227	21.0
163.11270	8.0
168.70755	3.5
169.08676	24.7
169.12260	4.6
171.10228	100.0
172.10341	3.7
199.13300	5.3
207.10258	26.3
213.11307	7.0
215.12785	5.1
225.11278	26.6
227.12866	24.3
279.19748	15.9
288.36057	3.6
305.17819	13.6
323.18802	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	367.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54531	1.2
53.44444	1.1
59.01265	12.5
60.05383	1.4
61.98712	1.7
71.52965	2.3
75.34214	1.4
93.42767	1.2
97.06483	1.5
101.02361	1.5
111.08034	8.4
151.11293	1.8
169.12276	2.7
172.29004	1.3
197.11832	31.1
198.12044	1.8
211.13367	4.1
219.10031	5.3
233.11789	1.7
246.91600	1.6
263.20187	2.3
269.08081	7.2
291.19772	5.6
295.22794	1.4
307.10391	3.7
309.20786	18.4
310.21024	3.7
367.16620	100.0
368.16989	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	367.1664
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01272	10.4
59.98556	0.9
61.98718	1.5
71.01279	1.6
71.52868	1.6
93.03398	1.7
97.02856	1.1
99.00780	2.2
123.26196	1.1
125.09671	2.4
137.09662	1.4
141.12772	1.6
161.04456	1.7
163.11281	3.3
165.12790	4.8
179.14316	2.7
181.12363	1.4
193.15910	1.8
200.02333	2.0
209.11824	2.1
219.09981	1.4
223.13422	2.5
231.09944	1.4
244.10745	1.9
247.20764	7.7
248.10365	2.0
291.19742	43.4
292.19998	4.4
293.21368	2.3
307.10468	3.2
309.20786	37.2
310.21240	4.2
313.17960	10.1
331.19003	45.0
332.19354	5.3
367.16675	100.0
367.20993	3.5
368.17010	10.3
368.21075	2.0
388.40540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1669
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01273	11.2
71.01257	3.1
89.02328	1.8
91.03838	1.2
93.03400	1.7
93.79034	1.2
95.04897	1.6
97.02818	1.8
98.19843	3.3
101.02328	2.3
111.08065	3.4
112.20442	1.4
116.23222	1.2
118.33390	1.3
139.07605	2.8
153.12766	2.7
161.04472	2.5
167.10640	1.5
169.12320	2.0
174.89038	1.4
175.41409	1.4
176.39690	1.4
179.80588	1.3
181.12323	2.9
197.11668	1.6
207.13899	1.6
209.11568	3.8
219.09955	4.2
226.80113	1.4
247.20673	2.0
248.10349	2.7
249.10718	1.6
253.10666	4.1
273.18759	1.5
291.19742	12.7
292.20160	1.5
303.19485	3.2
307.10339	5.1
309.20767	27.4
310.21133	1.5
331.18988	100.0
332.19424	12.0
346.61835	1.5
367.16553	30.3
367.24695	2.4
368.16855	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79848	1.4
59.01024	1.4
59.01274	14.7
69.03333	5.3
71.01281	3.2
71.58838	2.3
74.85155	1.2
79.40141	1.4
84.25159	1.5
85.02821	1.5
95.04890	1.6
95.69496	1.3
97.02854	23.1
97.75061	1.4
110.48115	1.2
161.04527	1.7
165.12715	1.5
178.02417	2.4
181.12416	2.3
191.03264	3.0
192.70819	1.3
210.01430	5.3
219.06384	4.0
243.13318	1.3
247.20625	2.4
261.11139	35.1
262.11908	80.6
263.12222	6.5
284.22211	1.4
291.19781	10.0
293.21228	3.7
294.10913	8.7
295.11450	2.1
298.08270	4.0
307.10498	3.2
309.20834	28.6
323.22174	1.3
331.18985	100.0
332.19406	12.4
367.16681	11.0
367.25034	9.3
368.16919	1.6
380.71512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.7
74.63294	0.6
85.06487	3.0
89.13129	0.6
89.23743	0.7
107.06846	0.8
137.51674	0.6
162.37608	0.6
189.20746	0.5
199.03188	0.7
199.13379	1.1
239.82918	0.7
261.12064	0.7
261.18732	0.8
279.19733	17.1
280.20001	1.7
347.25912	6.8
363.25281	1.0
365.27042	100.0
366.27393	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	366.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	5.4
61.98718	100.0
68.65626	0.6
71.01286	1.4
71.54402	1.1
72.99210	1.5
85.02847	0.7
85.66025	0.8
95.87279	0.7
96.95935	1.8
101.02351	0.8
104.67442	0.7
142.99867	0.9
160.00716	0.8
170.03262	0.8
205.05283	0.8
302.62085	0.8
306.14886	1.4
307.17938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40928	0.2
57.03339	0.7
57.69859	0.2
59.01253	1.1
61.98712	0.7
69.41822	1.3
69.42252	0.4
72.99197	11.7
73.02832	0.8
75.00768	0.7
77.96714	0.2
79.81469	0.2
81.06991	0.9
84.04443	0.2
85.02846	0.3
85.06482	0.6
96.95914	0.3
97.06510	0.4
99.08058	7.0
100.08401	0.4
101.06005	0.9
107.04932	0.2
113.06008	3.2
115.07565	44.9
116.07894	1.7
125.06008	0.8
129.05502	23.3
130.05847	0.7
133.02917	0.4
134.03659	0.8
135.04453	27.3
135.93112	0.2
136.04794	1.4
143.07079	16.8
144.07414	0.5
159.06577	3.0
161.02394	0.7
161.08153	0.6
162.02310	0.3
179.03459	16.6
180.03802	0.7
191.32986	0.2
205.07166	100.0
206.07520	4.7
267.44803	0.2
367.10345	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1045
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
52.43290	0.3
54.90908	0.3
56.24660	0.3
59.01275	1.3
63.54964	0.3
70.46094	0.4
71.01281	1.2
71.08727	0.7
72.99225	0.3
73.02845	0.4
81.03378	0.4
83.04932	0.5
85.02857	1.1
89.02316	0.4
89.03874	1.0
91.57025	0.3
93.03363	1.9
101.02354	1.3
111.04443	3.1
113.02373	0.4
117.03387	6.5
134.03671	70.0
135.04021	2.9
137.02415	0.6
149.06039	5.7
150.06305	0.4
155.03471	2.6
161.04552	0.4
173.04527	5.1
180.03041	0.4
186.50914	0.3
187.02696	0.3
191.05624	5.5
193.05046	100.0
194.05385	6.1
206.22296	0.3
235.11923	1.4
268.84409	0.3
296.08707	0.4
367.10403	8.8
367.15939	1.7
368.10672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	16.7
60.85360	2.7
71.01275	11.5
71.55868	3.4
78.03416	2.7
85.02857	4.1
89.02325	8.2
89.07305	2.4
93.03408	2.7
99.97813	3.2
108.02108	5.0
116.04879	3.2
118.02875	5.0
121.02891	17.0
134.03671	6.9
137.02455	2.8
144.04503	27.9
146.02411	17.0
147.03108	2.9
148.03981	8.3
150.66397	2.5
160.03999	33.2
161.04456	9.0
162.01895	3.1
164.03496	9.2
169.04002	12.1
178.05057	3.5
187.05104	100.0
188.05424	7.3
189.65851	3.0
193.05049	7.8
205.06175	4.5
225.63452	2.8
301.56604	2.8
368.09943	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.0
61.00905	2.4
68.99670	0.4
69.03358	0.6
71.01263	1.1
72.99199	0.4
73.02842	1.3
83.01276	0.6
83.04917	0.7
85.00927	0.7
85.02833	3.3
87.00774	1.8
89.02377	0.5
93.03364	4.8
96.96855	1.1
99.00791	1.3
99.04414	0.7
101.02367	0.8
109.02873	2.0
111.00799	2.0
111.04440	1.9
113.00433	0.4
113.02319	0.5
115.00306	1.1
117.01884	0.5
124.51434	0.4
126.33408	0.4
127.03918	0.6
129.03522	0.5
137.02383	1.5
141.01860	0.5
142.99796	0.5
143.03484	0.8
143.35490	0.4
147.02834	0.6
147.98611	0.4
148.50546	0.4
153.01837	0.5
155.03456	0.5
159.01009	1.6
161.04495	0.4
173.02634	1.1
173.04530	3.0
191.03688	4.9
191.05588	17.3
192.05917	1.2
199.04173	3.4
217.05260	17.4
218.05640	0.6
233.04742	3.0
235.06310	1.0
287.05893	2.1
317.07022	1.0
347.08124	2.2
365.09067	100.0
366.09421	9.9
366.13531	0.4
384.49191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95181	4.1
59.01265	44.3
69.35583	35.2
71.01282	5.3
78.27553	3.2
84.53181	3.6
85.02882	5.6
96.95898	7.7
98.20595	7.8
111.85815	3.9
121.72269	3.6
135.77800	3.6
136.03163	3.9
136.24437	3.6
167.10759	19.3
167.49306	3.7
171.10191	19.3
211.13417	9.9
214.73016	4.0
229.14561	8.7
327.21866	100.0
328.22217	9.9
329.22473	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	365.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61353	22.0
59.01261	100.0
60.12144	20.5
61.59066	23.3
71.02563	26.1
71.57733	37.4
91.90356	27.3
93.76658	23.7
105.15936	26.5
116.16808	21.3
120.15549	22.3
208.55159	22.8
304.04099	24.2
385.39273	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56351	26.6
59.01258	100.0
67.02416	25.5
90.20902	25.4
97.64610	20.5
107.39873	21.6
107.40623	22.5
122.15209	23.5
134.08472	25.1
134.85602	26.1
217.06393	22.3
222.74698	24.8
229.23456	24.5
354.48944	23.3
376.68304	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64867	0.3
53.58874	0.3
56.29418	0.3
59.01212	2.2
60.59641	0.3
61.35992	0.2
71.01231	0.4
76.85190	0.2
93.00074	0.3
108.02013	0.8
109.02865	11.1
123.04384	0.9
124.01553	0.7
125.02395	1.2
129.46118	0.2
137.02380	22.6
138.03024	2.0
142.02580	0.8
145.83311	0.3
151.02863	0.3
151.03963	5.3
152.01125	3.1
152.04701	0.7
162.03784	0.3
165.05441	0.8
179.07088	0.3
193.08727	1.4
206.00529	0.3
207.10179	0.8
208.86610	0.3
220.37994	0.3
220.58791	0.3
221.11975	0.2
246.68825	0.3
249.15015	0.5
318.03458	0.3
321.24362	0.6
333.24246	0.6
349.23785	1.3
350.24704	100.0
351.25034	12.9
351.29480	0.5
365.27057	60.4
366.27417	8.9
366.32053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	6.7
59.01262	12.6
59.71670	1.8
65.00206	4.3
67.01785	3.2
68.99689	3.0
70.96172	5.2
71.04898	4.3
73.02853	1.9
73.28466	1.7
75.00758	3.9
81.03351	20.5
83.01270	13.8
93.03364	4.4
95.01292	4.2
95.04916	10.1
96.95925	4.3
97.02854	18.8
99.00778	2.3
99.04433	17.5
101.02341	4.8
103.00288	3.3
107.01291	5.6
109.02855	9.9
117.03376	3.8
119.04991	2.1
121.02895	6.0
123.00864	1.9
123.04431	7.5
124.01591	3.5
125.02370	55.2
126.02655	2.8
130.04161	2.5
131.04973	3.0
133.02872	6.2
135.00827	15.4
135.04469	3.6
137.02376	37.0
138.03137	7.7
139.03970	16.8
143.04959	6.0
145.02892	8.3
146.03697	3.7
147.00768	2.0
147.04437	6.0
149.02393	4.9
149.99567	2.8
155.04906	3.2
157.06569	5.6
159.04483	15.7
160.05124	1.8
161.02405	6.1
161.06085	2.4
163.00334	21.9
163.03963	6.3
164.01067	5.8
165.01891	49.4
166.02364	2.9
167.03461	100.0
168.03773	6.0
170.03749	4.0
171.04417	3.8
173.06041	5.1
174.03127	2.1
175.04001	11.2
177.01865	4.6
177.05531	7.3
179.03482	2.8
182.03706	2.0
183.02974	1.9
183.04495	6.3
185.02412	3.7
185.06033	6.2
187.04028	18.2
188.04446	2.4
189.01840	3.5
189.05524	3.8
190.02641	2.5
191.03406	5.8
192.00555	2.3
193.01311	1.9
195.02994	4.5
197.04512	7.5
199.03987	5.3
199.06096	2.5
201.05545	15.8
203.03488	14.9
205.05104	18.0
207.02986	2.5
211.03970	4.3
214.02699	10.3
215.03476	7.8
217.05025	5.7
219.06610	2.9
221.04683	2.1
227.03500	15.5
228.04204	2.7
229.05086	22.8
230.02199	5.7
231.03021	26.2
233.04617	4.0
235.06198	4.3
239.03381	2.8
240.28146	2.0
245.04633	23.5
246.05110	2.7
247.06143	8.6
249.04012	4.4
255.02983	16.2
256.03717	2.8
257.04587	16.0
261.07745	10.2
263.05685	14.0
271.06201	6.3
272.03354	2.8
273.04144	15.4
274.04907	2.7
277.07239	27.1
278.07672	3.5
283.02536	7.1
287.05640	10.4
289.07220	17.7
291.05154	4.4
301.03622	54.9
302.03683	4.4
305.06693	7.2
315.05179	29.9
316.05560	2.7
319.08246	3.6
333.02740	2.9
333.06250	19.9
347.03589	3.3
347.07764	30.3
348.08237	2.2
365.08832	28.0
365.18219	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	6.0
59.01267	19.2
61.98719	26.7
65.00207	6.8
68.99712	3.7
69.03346	3.1
70.27769	5.7
71.01273	2.8
71.04934	3.7
73.02865	2.3
75.00736	4.9
81.03349	17.9
83.01279	11.5
83.67679	2.1
91.01790	3.4
93.03391	3.2
95.01295	3.8
95.04925	11.3
96.95922	4.8
97.02840	17.3
99.00777	3.0
99.04427	20.0
101.02359	9.3
103.00253	3.3
107.01324	4.3
109.02857	15.0
115.05460	3.0
116.83901	2.6
117.03416	3.2
119.04933	3.1
120.76868	2.0
121.02840	5.3
123.00777	3.1
123.04452	6.2
124.01602	3.6
125.02370	46.2
127.00323	5.5
131.04958	6.4
133.02872	2.6
135.00827	15.2
137.02376	40.3
138.03148	12.9
139.03955	17.5
143.04979	4.0
145.02885	7.9
146.03729	4.4
147.00824	5.2
147.04480	7.0
149.02394	6.5
151.00349	3.0
155.04991	3.1
157.06567	4.9
159.04472	15.3
161.02397	5.3
161.06033	3.8
163.00337	23.5
163.03960	5.2
164.00798	3.5
165.01894	46.0
166.02513	3.4
167.03461	100.0
167.04892	4.9
168.03860	5.3
170.03612	5.6
173.06075	6.6
175.03961	8.6
177.01831	5.0
177.05412	3.1
183.04526	6.0
185.02362	4.7
185.06024	6.0
187.03987	18.4
188.04654	5.2
189.01935	3.8
189.05499	3.1
190.02599	2.5
191.03545	3.0
192.00612	3.3
195.02983	7.7
197.02673	2.6
197.04582	7.9
199.04062	4.0
200.04648	3.2
201.05510	13.9
203.03508	16.0
203.07288	3.2
203.09288	5.3
205.05017	14.7
207.02986	3.5
211.04047	4.5
213.02017	2.5
214.02708	8.9
215.03519	9.9
217.05109	4.5
227.03482	13.5
228.04202	4.2
229.05112	30.6
230.02138	4.0
231.03033	28.3
232.03467	2.4
233.04350	3.3
235.06171	6.5
243.03041	2.6
245.04565	18.0
247.06187	7.3
249.04109	5.4
255.03069	21.5
256.03558	2.3
257.04565	15.4
259.06219	4.4
261.07776	9.3
263.05655	13.9
271.06189	7.5
272.03345	6.7
273.04120	15.0
277.07205	21.2
283.02591	6.0
287.05710	14.2
289.07205	17.6
291.05209	8.0
301.03577	49.8
302.03922	5.8
305.06744	9.3
315.05191	27.0
319.08279	3.2
333.06201	22.8
347.07846	29.2
365.08810	31.9
366.09134	3.5
389.64063	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0886
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
56.38849	0.3
59.01263	2.1
71.01275	0.6
71.25198	0.5
71.56764	0.3
73.02834	0.5
79.95553	0.2
85.02859	0.3
96.95903	0.4
101.02393	0.3
143.20987	0.2
145.02908	1.0
158.03682	15.2
159.04478	4.9
160.04817	0.3
171.04480	2.0
172.05154	0.3
173.02429	0.9
173.05942	0.4
175.04021	0.4
184.05209	0.3
185.06042	0.4
201.01889	0.9
201.05525	2.3
202.02705	100.0
203.03197	8.4
205.03815	0.3
213.05603	2.7
214.06010	0.3
215.03441	0.4
227.03583	0.3
231.06653	0.8
245.04611	0.8
257.04797	0.3
275.05658	2.0
346.70428	0.3
365.08844	50.2
366.09189	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	362.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54783	0.5
59.01265	100.0
60.01598	1.3
61.98714	0.8
62.19347	0.6
63.32323	0.5
63.71465	0.5
67.18962	0.5
69.63928	4.0
71.01266	1.4
72.99218	0.6
73.79248	0.5
96.95885	1.4
98.20444	1.1
107.20184	0.5
133.24625	0.7
140.07111	79.0
141.07452	3.8
146.02454	0.7
150.50676	0.6
164.94011	0.5
177.97517	0.7
288.09186	0.7
302.12531	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	363.0767
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
53.17422	0.3
53.23196	0.3
56.14711	0.3
59.01268	5.1
69.40466	3.1
71.01273	2.6
72.99221	0.6
73.02831	0.8
79.95628	3.2
80.96419	2.2
83.01278	0.4
85.02847	0.9
89.02355	1.5
95.95129	0.9
96.95918	92.9
98.20580	0.7
101.02369	1.6
113.02346	1.2
122.97507	1.9
130.84129	0.3
138.96979	1.2
146.02277	0.4
150.97038	1.7
164.98589	0.5
180.98105	1.5
225.00917	0.5
241.00233	3.1
251.15004	0.3
363.07642	100.0
364.07965	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	363.2552
Annotation	Methyl 15-isobutyloxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.51428	0.4
51.09221	0.4
56.43860	0.5
59.01266	1.6
64.78030	0.5
69.44800	4.6
86.77261	0.5
90.12184	0.4
94.20490	0.5
98.19746	0.8
108.02128	0.7
122.03662	15.0
122.04552	0.9
123.04482	2.8
135.04471	0.8
136.05240	11.6
137.05595	0.5
150.03168	1.8
151.04021	0.5
154.02667	1.1
164.04715	0.8
182.05846	0.6
221.75342	0.5
253.77423	0.5
335.26010	41.1
336.26343	4.9
348.23193	0.7
363.25494	100.0
364.25870	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	363.2916
Annotation	noladin ether
Peak:m/z	Relative Intensity
52.58136	0.4
59.01254	0.6
67.19221	0.4
98.20554	1.1
99.12685	0.4
121.02821	0.4
123.04453	1.1
136.05237	22.8
137.05676	1.0
149.06018	8.3
150.06580	0.7
163.07616	2.5
168.04227	0.9
177.09196	1.8
191.10762	3.0
205.12379	1.4
219.13853	1.0
229.18565	0.5
233.15536	0.7
331.26590	0.6
347.25977	1.4
348.26797	3.0
361.27679	1.6
363.29147	100.0
364.25162	0.9
364.29486	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	361.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19874	1.7
59.01268	100.0
59.58660	1.9
59.94906	1.8
62.13011	2.0
70.05673	4.4
70.06066	4.8
71.68440	1.8
98.19781	2.0
122.03731	2.6
123.00782	4.2
136.05247	3.0
138.03157	5.0
197.16457	2.0
301.16568	4.1
361.16608	2.1
361.27524	15.0
362.27988	3.2
370.17627	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	362.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.6
61.98720	100.0
69.19997	7.0
78.95795	5.4
85.49834	0.7
88.09288	0.7
96.95926	1.2
98.95499	0.7
112.50734	0.7
127.19126	0.7
140.07059	1.0
146.02423	1.7
152.99530	12.9
180.40294	0.7
184.26353	0.7
255.03120	1.3
284.03296	1.1
299.05627	1.4
363.12003	1.5
374.99130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30344	0.4
56.70386	0.4
59.01272	3.1
59.81053	0.4
63.43974	0.4
64.14082	0.5
69.84364	3.0
71.01262	2.5
76.01826	1.5
87.00771	0.6
89.02335	3.1
95.97915	0.6
100.67403	0.4
101.02361	1.1
113.02328	0.7
118.02909	15.5
118.03761	0.8
119.03386	1.2
146.02420	100.0
147.02747	4.0
151.77708	0.4
152.00047	0.5
161.04492	0.7
179.05602	1.9
199.09686	0.4
343.16525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18997	0.4
59.01270	3.8
68.70419	0.4
69.51106	4.1
71.01266	2.6
76.01818	1.3
85.02867	0.5
87.74623	0.6
89.02338	4.7
101.02351	1.4
113.02351	1.4
115.07487	0.5
118.02910	16.4
118.03757	0.8
119.03388	1.8
130.67340	0.5
131.08170	0.6
140.07098	0.5
146.02423	100.0
147.02773	5.2
148.95470	0.6
179.05530	1.2
304.74991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04684	2.1
55.65845	2.1
59.00997	3.8
59.01268	57.6
71.01272	22.0
71.31960	5.6
71.32328	2.3
71.53388	2.2
73.02843	4.1
77.54859	2.5
78.70264	2.2
83.01284	3.1
85.02848	8.3
90.78178	2.4
95.01269	5.1
99.00796	4.5
101.02353	8.7
113.02355	12.5
118.02857	2.7
120.52869	2.3
121.02858	3.2
123.00806	100.0
124.01547	10.2
125.02312	3.1
136.01569	2.4
137.02414	5.5
138.03171	77.2
139.03975	31.8
140.04269	2.5
146.02431	33.5
149.02354	4.3
151.03906	4.8
156.44414	2.3
159.02963	4.4
161.04523	43.0
162.29222	2.4
166.02640	4.6
181.05011	10.7
182.57835	2.7
193.04990	5.2
205.03587	2.9
274.59235	2.9
301.09360	71.2
301.12854	3.6
302.09686	7.4
306.71085	2.5
343.16318	2.6
361.08463	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	361.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	2.8
61.98713	0.9
71.53220	0.8
79.95625	0.9
138.03122	0.7
139.65343	0.5
149.09650	2.5
161.04558	0.5
161.44257	0.6
167.10730	2.0
185.22154	0.5
189.08949	1.7
207.10013	1.4
209.11571	7.1
217.08469	36.8
218.08815	2.3
235.09547	100.0
236.09914	6.7
248.10097	0.5
251.09021	1.2
253.10603	6.3
254.10985	0.9
269.24258	0.6
277.04056	0.8
361.13229	6.3
361.17236	9.1
361.23767	0.7
362.12976	1.2
362.17142	1.4
365.92746	0.6
379.14429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	57.1
59.01546	8.6
61.98711	11.9
63.14214	3.9
71.01273	8.2
71.33651	8.6
76.06694	3.5
76.48710	4.0
81.03335	13.1
83.01279	42.5
83.04913	7.3
83.96772	3.7
84.02075	6.6
97.06495	8.2
98.09669	4.0
109.06526	8.5
123.08044	7.3
125.09654	46.6
131.49609	3.7
135.08061	8.8
137.05980	4.5
138.05505	7.6
139.49985	4.3
147.11647	6.0
163.11244	19.5
165.09129	5.6
165.12746	13.1
171.10246	10.1
174.99138	7.6
181.12299	9.3
185.11763	7.9
189.31386	4.1
191.10742	45.1
192.11008	4.8
194.92700	4.8
197.11809	5.9
199.09763	6.9
201.02522	7.0
207.10208	14.6
208.93459	4.5
209.11833	72.6
210.12212	5.7
217.00349	36.0
223.13350	12.9
225.11273	6.6
226.12154	45.1
239.12805	11.1
241.14500	100.0
242.14848	5.6
291.19824	20.1
305.17734	6.0
323.18903	5.0
323.22238	9.2
327.21869	8.0
329.03122	6.5
344.05331	7.1
359.07806	6.0
359.15421	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	360.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01806	0.3
57.43150	0.2
59.00995	0.4
59.01266	5.5
61.98722	0.4
71.01237	0.2
71.20884	0.5
72.99194	0.6
85.02882	0.2
86.13845	0.2
100.58841	0.2
108.02076	5.8
121.02892	0.4
133.38705	0.2
138.01907	100.0
139.02263	3.6
156.27786	0.2
160.04012	0.2
169.01379	0.8
181.01315	0.2
184.03732	0.5
199.05948	0.5
203.35255	0.2
204.03015	0.2
210.41005	0.2
219.07999	0.3
237.09258	0.4
247.00304	0.2
263.07251	0.2
280.09885	0.3
281.08060	0.4
314.10251	0.2
342.09946	1.3
343.09659	0.3
354.58179	0.3
360.10971	2.1
361.11200	0.4
361.15405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	4.4
59.01267	86.3
68.71758	2.9
69.45241	5.7
69.45641	23.0
71.01273	64.9
72.99215	4.7
85.02866	6.9
87.00780	4.6
89.02340	100.0
94.63777	3.2
101.02344	33.6
104.59936	3.4
110.02387	8.9
113.02356	30.8
114.26584	2.9
119.03412	40.9
125.02448	3.7
131.03444	7.2
133.95142	3.4
143.03461	6.0
149.04506	7.2
160.32907	3.1
161.04529	12.6
164.15971	3.1
179.01851	3.1
179.05577	37.7
180.02943	4.5
201.80203	3.2
360.09555	6.4
368.65646	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	77.4
66.03675	1.9
69.11929	2.2
70.85635	4.2
71.00949	2.2
71.01262	14.8
76.84401	2.3
85.02875	3.4
89.02343	17.4
101.02330	10.4
107.04945	27.0
111.03058	2.2
113.02347	7.4
119.03429	7.2
119.04954	29.9
133.65640	2.3
135.71472	2.2
137.06017	100.0
138.01935	15.3
138.02875	2.5
138.06375	5.5
149.02344	2.9
150.98369	2.2
153.05534	3.3
174.08008	2.6
179.05545	3.5
185.24750	2.3
197.04581	4.3
299.11429	7.7
346.47437	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	2.1
64.98638	0.3
65.25713	0.3
81.03368	0.5
88.84308	0.3
93.03360	0.4
95.04938	0.4
103.99179	0.4
105.26020	0.4
107.04920	0.9
108.02100	1.5
109.02877	0.3
121.02893	1.5
121.06529	1.3
122.03677	0.9
123.04449	2.8
134.03650	0.6
135.04463	18.7
136.04794	1.0
137.02341	0.8
139.54231	0.4
142.23811	0.3
147.04486	0.6
149.02420	1.0
149.06026	6.5
149.07185	0.5
150.03180	6.2
150.06308	0.6
151.04027	0.5
153.01955	0.6
154.05965	0.3
163.03960	2.0
164.04745	1.3
165.05542	3.6
166.02655	0.5
166.06267	0.7
179.05510	0.5
179.07117	17.7
180.07903	50.8
181.08228	3.1
182.05817	1.3
192.07942	0.8
193.05055	0.8
193.08736	0.6
194.05832	3.4
194.09494	3.2
195.06474	0.7
195.10283	5.7
196.10654	0.4
197.11818	0.7
207.06703	0.6
208.07425	12.3
209.07797	0.8
212.06929	2.6
222.08989	1.2
223.09785	100.0
224.10149	6.2
226.08499	5.4
235.09715	1.2
255.06772	0.4
258.01624	0.5
259.02557	1.8
266.06168	0.4
269.08258	1.5
271.09805	0.4
283.09805	1.7
286.01434	0.4
299.09354	1.4
300.10107	1.2
301.03537	0.7
311.09360	2.7
314.11679	1.2
315.12460	0.9
316.13327	0.9
326.11850	2.1
327.12076	0.5
329.03180	2.5
329.10452	0.8
329.14078	2.6
331.15613	4.7
332.15796	0.6
341.13971	2.3
344.05331	3.1
359.04062	0.7
359.08105	2.7
359.15088	15.4
360.15289	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	359.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67727	0.7
59.01267	24.0
71.53815	1.6
87.39673	0.7
119.29707	0.8
210.68427	0.7
259.20703	1.0
277.21802	100.0
278.22150	9.8
359.15054	1.0
359.22128	25.0
360.22363	2.4
364.21875	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0782
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
59.01268	4.1
60.82695	0.3
61.98714	0.7
69.21406	3.9
82.16310	0.3
88.96731	0.4
90.53374	0.3
107.01274	0.5
114.93727	0.3
151.00343	0.6
171.10277	0.5
174.03142	0.9
177.01903	0.8
186.03299	0.6
189.01802	0.5
197.26494	0.3
202.02711	3.0
214.02686	1.1
217.00317	1.9
218.42737	0.4
229.01349	0.6
230.02228	9.6
231.02699	0.8
241.01486	0.4
242.02191	1.1
258.01773	14.1
259.02133	1.2
270.01794	1.2
274.01172	0.4
285.03998	0.4
286.01263	30.7
287.01654	2.7
298.01193	1.6
301.03604	16.9
302.04050	1.1
314.00800	6.3
315.01175	0.7
329.03107	100.0
330.03418	8.7
344.05444	23.8
345.05756	2.0
359.07803	63.1
360.08157	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	359.0783
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
59.01263	6.7
61.98696	1.0
65.00228	0.6
71.59026	0.6
71.59450	0.6
88.17986	0.6
130.27469	0.6
137.02274	0.6
137.06039	0.8
138.01942	0.8
151.00256	0.6
158.03679	0.8
163.00296	1.9
163.68422	0.6
165.01852	2.0
174.03172	0.6
174.99171	0.8
186.03194	1.2
198.03181	1.2
202.02716	4.2
209.11905	0.8
214.02687	5.9
217.00261	1.9
217.05066	7.4
218.05496	0.8
229.05031	1.8
230.02197	7.9
231.02881	1.1
241.01529	1.4
242.02202	7.1
245.00975	0.7
245.04584	4.2
257.04672	4.9
258.01730	10.1
259.02237	1.3
270.01776	11.3
271.02158	0.8
273.04108	14.6
274.04413	1.2
285.04117	11.9
286.01260	18.7
286.04236	0.9
287.01709	1.0
298.01135	0.8
301.03613	25.7
302.03961	2.6
305.17697	1.6
314.00778	4.8
329.03110	98.2
330.03415	10.0
344.05457	100.0
345.05756	10.4
359.07822	82.4
360.08203	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	358.0791
Annotation	Triglochinin
Peak:m/z	Relative Intensity
53.03438	3.0
54.84205	4.3
59.01266	91.2
63.70950	3.6
69.03324	3.4
69.80327	26.2
71.01272	76.5
72.42748	4.0
72.99207	6.2
78.03389	6.6
83.01311	5.2
85.02846	15.5
87.00800	5.4
89.02341	77.3
95.01298	16.8
101.02355	32.5
106.02896	24.1
111.00739	5.3
113.02344	27.5
115.00298	4.4
119.03420	23.5
122.02399	4.9
123.00813	44.8
124.01636	4.3
125.02364	12.7
134.02405	24.1
136.01666	3.5
137.02318	4.8
139.00279	8.7
140.01062	11.6
141.01877	9.0
148.04034	3.4
149.01135	4.0
150.01920	28.5
151.00298	28.7
153.01895	5.6
161.04538	7.7
162.90884	4.0
177.00616	9.0
178.01431	100.0
179.01804	3.8
179.05550	19.1
180.03014	3.8
185.67088	4.1
195.01682	8.7
196.02547	5.5
228.20497	3.8
252.56653	4.0
358.07864	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	358.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09870	0.5
59.01262	4.3
61.98698	0.6
62.65925	0.6
71.01271	2.8
71.62366	1.0
72.99210	0.7
85.02837	2.2
89.02306	1.0
96.95934	1.2
101.02341	0.8
108.08101	100.0
109.02862	2.3
109.08421	4.0
113.02342	2.2
120.08102	1.6
132.08125	2.1
134.06042	1.5
148.07623	1.8
152.07115	69.3
153.07442	2.5
154.17178	0.6
159.04434	0.7
164.07108	0.7
166.08690	16.0
166.10089	0.9
176.07146	1.4
187.35536	0.6
193.25873	0.6
194.08218	7.9
195.06708	0.8
195.17476	0.6
196.06129	59.0
197.04689	0.7
197.06419	3.5
197.11781	1.2
238.07227	9.8
239.07533	0.7
241.05064	1.4
241.14519	0.8
249.13029	0.5
256.42804	0.6
268.08301	0.6
269.08554	0.6
290.26810	0.6
298.09381	6.8
299.09579	1.0
329.10321	0.6
344.12805	1.8
358.11548	8.4
359.07626	1.0
359.11411	0.9
359.15039	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	359.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27549	0.4
59.01293	1.8
61.61096	0.4
62.27689	0.4
69.64860	2.9
78.95841	0.5
98.20494	0.5
107.01339	0.4
143.52756	0.4
151.00365	0.8
174.03233	1.2
176.91910	0.5
177.01926	0.5
185.02467	0.4
186.03226	0.4
187.40088	0.4
201.02049	0.5
202.02687	3.5
213.01988	1.9
214.02753	1.7
216.45543	0.5
217.00377	0.9
218.02400	0.4
229.01443	0.8
230.02234	8.2
231.02632	0.5
241.01462	10.3
242.02254	26.3
243.02936	6.0
256.03601	0.4
257.00967	3.4
257.04669	0.8
258.01770	26.6
259.02115	2.0
269.01013	4.2
270.01746	11.2
271.02417	2.9
272.03348	5.4
273.04117	28.6
274.01318	1.1
274.04517	2.6
285.00571	0.6
286.01273	22.0
287.01709	1.5
287.05698	6.2
298.01364	1.7
299.02127	2.2
300.02612	0.7
301.03625	25.6
302.03973	2.0
314.00766	2.6
315.05173	3.3
316.05957	6.8
317.06369	0.7
329.03119	39.9
330.03397	3.7
344.05457	59.3
345.05811	6.1
359.07819	100.0
360.08215	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	357.2656
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
51.61828	0.6
57.03343	4.5
58.00491	1.3
59.01254	1.9
69.03345	1.1
69.29654	6.8
71.01271	2.9
71.04909	1.9
73.02837	28.7
81.03336	0.9
83.04931	2.0
84.02039	1.0
85.06476	1.5
87.04415	7.7
95.04922	0.7
97.06497	2.2
99.04433	0.9
99.45972	0.6
109.06516	1.2
111.08063	1.4
113.06019	0.7
121.02881	0.8
123.08088	0.8
125.09647	2.4
127.11216	6.2
132.74283	0.7
137.09624	1.0
139.07587	0.5
139.11218	2.7
143.07089	1.0
149.16354	0.5
151.11275	1.3
155.10728	1.8
155.14380	1.0
163.11327	0.5
165.01807	1.4
167.10738	3.2
167.14365	2.0
169.08591	0.7
169.12289	1.8
171.10297	3.1
171.13858	3.2
181.12337	1.7
183.13878	1.3
185.15466	2.5
191.57533	0.7
193.12334	1.5
195.17461	3.2
197.15477	1.3
201.14949	8.7
213.01915	2.5
215.03296	0.6
225.14990	1.7
226.02634	0.6
228.04482	1.0
229.01396	0.8
230.02191	0.9
237.22377	1.0
240.00659	1.0
241.01428	1.7
243.16309	0.8
245.00999	1.3
255.03073	1.0
256.03754	1.7
257.00946	1.1
265.21930	1.3
267.23383	5.6
268.00354	1.3
268.23904	0.9
269.00928	3.5
269.17612	1.7
272.03342	1.6
277.21793	1.6
279.23315	0.9
283.02585	3.4
284.03326	1.8
285.00507	7.5
293.25031	1.3
295.22830	1.4
297.00522	8.4
297.10114	0.8
297.24408	9.2
298.01273	4.1
300.02902	3.4
309.24463	1.7
311.01956	6.7
311.26001	12.5
312.02832	14.7
312.26544	1.0
313.03458	4.5
313.27533	22.1
314.27924	2.9
315.05127	5.0
327.05283	1.1
328.02362	1.1
343.04675	26.1
357.22839	9.3
357.26578	100.0
358.07016	20.9
358.22992	1.4
358.26907	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	357.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79057	2.4
55.01785	3.0
57.03323	3.8
59.01265	6.3
61.02849	2.5
61.98725	3.4
67.26630	2.7
71.01270	4.3
71.51172	3.7
79.68978	2.7
81.03353	15.0
83.01280	42.8
83.04926	12.0
84.02058	9.1
97.02852	3.7
97.06497	13.1
99.08078	5.9
121.02877	16.2
121.06505	5.2
123.08081	3.9
125.09650	73.1
126.10062	3.4
127.07557	4.9
135.08118	6.4
139.11223	8.9
147.11765	8.2
153.50417	3.1
163.11304	16.7
165.12816	6.8
167.10764	5.3
171.10231	3.2
181.12312	5.9
185.11783	6.0
191.10753	42.1
192.11108	5.5
194.20233	3.1
197.11845	8.1
199.13382	19.1
207.10307	8.0
209.11836	79.5
210.12198	4.5
223.13399	17.2
226.12115	40.1
236.60617	3.0
237.11372	3.2
239.12865	11.7
239.16579	13.7
241.14499	100.0
242.14766	5.5
257.17773	7.2
265.07523	3.4
289.18069	8.7
297.12036	4.9
307.19046	7.8
325.20276	8.3
357.22568	4.0
357.26569	91.6
358.27136	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	357.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	5.3
58.00484	1.2
59.01271	7.1
69.03347	3.3
70.60030	1.8
70.60397	1.9
71.01267	2.5
71.04898	2.1
73.02848	8.6
81.03365	1.7
83.04915	5.0
84.02056	7.9
85.02869	2.1
85.06479	2.0
87.04417	14.5
95.04929	8.1
96.95908	1.1
97.06512	2.8
106.04135	0.9
111.04459	1.2
111.08077	1.8
113.05964	2.3
113.09601	1.2
121.06525	1.2
123.04421	2.5
123.08040	1.2
125.09663	4.7
127.11224	4.3
132.04446	0.9
137.09657	2.4
139.11223	2.7
151.11220	1.4
153.12772	1.2
155.10704	2.4
157.12341	1.2
163.11232	1.3
165.12854	1.5
167.10747	1.9
167.14363	1.7
169.12297	2.4
171.10226	19.6
171.13861	6.6
173.40672	0.8
175.11284	1.2
187.13368	1.1
193.12318	17.3
194.12674	1.1
195.17528	2.0
197.15485	1.2
201.14992	5.6
209.11789	2.2
210.10316	1.1
211.13426	5.2
219.13980	1.2
221.11792	1.0
225.14977	23.2
226.15283	2.6
229.18121	1.3
237.14935	1.0
239.16652	1.6
243.16057	13.7
244.16403	1.3
247.09413	1.0
247.24341	0.8
249.14944	1.2
251.16632	2.8
253.14494	1.1
269.17627	3.9
277.21829	1.2
285.00360	1.1
289.18250	1.8
297.24554	1.8
307.19095	1.6
311.01947	1.2
311.26062	7.3
312.02808	2.3
313.27567	20.3
314.28000	1.1
315.05362	1.6
325.20599	1.2
339.21689	2.0
343.04581	4.7
357.22855	100.0
357.26657	47.0
358.06787	3.6
358.23206	10.5
358.27020	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	357.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.8
59.01267	12.1
61.98727	2.3
68.88281	2.2
69.03327	2.7
70.78336	7.7
71.01270	4.4
81.03342	13.8
83.01284	41.8
83.04919	8.3
84.02070	9.9
89.02383	3.3
97.06505	12.4
116.58056	2.2
121.02917	7.0
121.06521	4.7
123.08076	4.4
125.06036	2.8
125.09648	68.1
135.08113	6.3
137.09605	2.7
147.11765	4.0
163.11256	11.5
165.12825	8.8
167.10715	4.1
181.12343	3.9
185.11821	3.4
191.10765	46.7
192.11098	4.1
192.95679	2.7
197.11795	5.0
207.10208	7.2
209.11827	72.0
210.12103	6.1
223.13434	9.6
226.12100	38.5
227.12473	4.1
237.11433	3.6
239.12859	11.3
241.14479	100.0
242.14880	6.8
265.14447	2.5
283.70303	2.6
289.18213	6.9
306.18420	2.9
321.20801	2.6
329.28818	3.0
357.26575	2.5
359.44159	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1201
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
58.00475	1.2
59.01266	34.0
64.08087	1.0
69.46466	5.8
69.46871	2.3
71.01270	21.1
72.99184	1.9
73.02850	1.0
83.01281	1.0
85.02856	3.8
87.00784	1.3
89.02339	17.5
95.01275	1.3
101.02357	11.9
109.02824	1.2
113.02367	6.8
119.03413	7.4
128.95422	0.9
134.03697	1.9
136.05298	0.9
137.02390	1.2
143.03485	1.2
151.03947	2.4
152.07111	1.3
161.02377	2.2
162.03178	68.5
163.03589	4.6
177.02071	2.6
177.05537	100.0
178.05904	5.9
179.03308	1.1
180.04245	7.1
191.48494	1.1
195.03003	3.2
195.06624	12.8
244.35289	0.9
269.95462	1.0
317.90045	1.1
331.45532	1.0
357.11780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45334	7.0
57.03347	18.4
59.01274	39.0
64.49490	7.6
71.01273	32.4
71.04912	9.9
72.99221	12.9
73.02837	25.2
74.64201	8.3
75.00758	42.2
77.05087	7.2
83.04936	24.5
85.02838	21.8
95.04961	18.5
97.06505	23.3
99.04416	33.5
101.05971	11.0
107.04942	10.2
108.02078	29.2
109.06507	11.0
109.76743	9.7
111.04414	25.8
113.05992	12.8
116.62886	7.3
121.02872	62.2
123.08085	17.5
125.06017	51.4
125.09644	26.2
127.07581	16.0
127.11276	10.5
137.06020	10.0
137.09639	11.6
139.07597	20.0
143.07104	50.7
149.06079	12.5
151.07555	9.0
155.07094	13.0
155.10751	11.1
163.11247	9.5
167.07074	27.6
169.12219	8.0
171.10255	100.0
172.10443	9.0
177.05583	8.6
185.08168	50.8
185.11923	19.5
193.12268	11.0
197.11769	20.7
199.09741	15.4
201.11353	46.6
209.11859	46.7
213.11374	13.3
217.10748	23.4
219.10234	28.1
225.11327	11.0
227.12828	14.5
235.13358	18.4
237.11343	52.9
251.12976	17.5
253.14557	12.7
259.01501	9.2
268.09686	10.2
271.15634	17.1
281.13919	12.1
303.16013	26.2
321.16974	39.5
330.14273	16.7
334.70654	9.7
339.18124	30.7
356.05695	9.4
357.06210	26.0
357.15463	12.7
357.19333	60.8
357.26581	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	356.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	7.1
61.98721	100.0
65.11713	0.5
69.33549	0.4
70.08610	0.8
70.09019	1.7
70.71087	0.5
121.02921	1.6
156.14240	0.5
221.15433	0.9
225.09264	0.5
357.06256	0.7
357.26843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0626
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
70.16263	0.2
71.10040	0.2
71.10384	0.6
77.03857	0.3
82.02910	0.2
93.03368	0.4
100.41190	0.2
113.05599	0.2
121.02876	100.0
122.03200	4.1
133.20152	0.2
154.23735	0.2
165.01875	1.2
180.05775	2.0
181.06575	5.7
182.06888	0.4
194.24449	0.2
197.06133	0.4
225.03473	0.4
225.05597	5.6
226.05966	0.4
246.66208	0.2
269.08408	0.4
278.65247	0.2
298.01703	0.3
313.07288	8.4
314.07669	0.7
343.04749	0.5
357.06253	38.2
358.06592	5.2
379.94318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.12
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01273	0.8
64.21290	0.3
70.32209	0.3
70.46029	1.3
71.01273	0.6
80.43235	0.4
85.02853	0.6
86.93909	0.4
98.19827	0.4
101.02335	0.4
109.02849	0.5
119.04934	1.9
121.02852	0.5
134.03671	1.3
135.04453	24.8
136.05238	56.4
137.02335	0.9
137.05551	2.4
149.06017	12.0
150.06465	0.8
151.07593	34.5
152.07944	1.7
168.04243	7.3
170.97609	0.4
175.68098	0.4
193.05020	0.4
194.05650	0.6
195.06615	100.0
196.06973	5.7
256.59213	0.4
357.07544	1.0
357.12000	20.3
358.12344	2.3
380.20059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1514
Annotation	Corydine N-oxide
Peak:m/z	Relative Intensity
59.01267	3.4
70.47361	1.9
70.47750	1.2
71.01269	1.1
76.53177	0.6
96.95954	0.8
116.63020	0.6
130.00253	0.6
134.03656	0.8
135.03960	0.5
146.03694	7.7
147.04515	0.6
159.04463	6.6
160.05255	7.7
161.02087	0.9
161.05951	0.8
171.03256	6.2
171.04585	1.0
172.05243	3.4
173.05968	2.0
174.03152	0.9
175.04005	0.6
176.04388	1.0
184.04010	78.1
185.04507	5.8
185.06137	2.2
186.06801	3.2
187.04012	0.8
187.07632	7.1
188.04770	24.9
189.05067	1.9
192.07207	0.6
193.04953	0.7
194.05478	0.8
196.05281	1.2
197.04648	1.2
197.06204	1.4
198.05550	11.1
199.07686	1.2
200.04797	1.9
209.06139	0.8
212.03403	1.3
212.07231	1.0
213.04243	8.2
213.09169	3.2
214.06326	2.5
225.05965	0.9
226.06252	0.6
236.06563	0.7
239.10744	0.8
241.12424	5.6
242.13011	1.5
249.12880	0.7
267.10361	2.0
267.13879	3.4
269.11887	0.9
283.13470	3.8
285.11414	4.8
285.14755	1.3
286.11917	1.0
287.12894	0.9
293.11942	3.0
295.12247	0.8
296.08630	1.0
301.14478	3.3
302.14560	0.8
311.12979	28.6
312.12631	10.3
313.13269	45.2
314.13574	4.9
320.12976	0.8
326.14139	1.1
327.14798	0.9
328.15561	0.8
329.14014	43.8
330.14441	4.4
338.14066	6.3
339.14636	0.7
356.15131	100.0
357.15472	15.9
357.22415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1513
Annotation	Corydine N-oxide
Peak:m/z	Relative Intensity
53.75953	0.6
54.95164	0.5
55.41545	0.5
55.65410	0.6
59.01268	1.3
71.01267	0.6
71.08469	1.4
78.37412	0.7
146.03665	5.7
150.60303	0.6
159.04466	5.6
160.05244	7.5
161.05934	1.4
169.67232	0.6
170.06081	0.9
171.03226	4.4
172.05280	3.1
173.05981	1.8
181.20941	0.6
184.04004	68.7
185.04510	6.2
185.06108	2.3
186.06821	2.1
187.07635	4.0
188.04765	22.6
189.05135	1.0
196.05196	0.8
197.04610	1.4
197.06190	1.1
198.05547	10.9
199.03859	0.8
199.05838	0.9
199.07599	1.1
200.04744	2.4
212.03477	1.6
213.04202	6.4
213.09148	3.1
214.06386	2.0
241.12357	6.3
242.13022	1.1
249.12865	1.3
258.53171	0.6
267.10297	1.5
267.14035	2.9
269.11713	0.7
283.13464	3.5
285.11429	4.7
285.14795	1.1
286.12054	0.9
293.11865	3.5
295.12274	0.9
301.14545	2.4
311.12973	24.4
312.12564	11.1
313.13275	40.5
314.13541	4.3
320.13187	1.8
328.15674	1.2
329.14008	42.8
330.14175	3.8
338.14130	5.8
339.14392	1.3
341.10388	1.6
356.15134	100.0
357.15555	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	356.1514
Annotation	Orientinine
Peak:m/z	Relative Intensity
53.91724	0.9
57.03329	1.0
59.01259	3.6
68.59746	0.8
71.01260	1.3
71.53918	0.8
71.54298	1.5
74.53313	0.9
83.04927	1.1
90.46925	1.0
105.98181	0.8
122.03649	2.7
123.04423	3.0
131.03702	1.3
135.04436	1.0
136.05238	20.4
137.06075	4.6
138.03163	2.2
144.05759	1.5
147.08072	1.3
149.06024	1.5
150.03136	5.5
158.03737	1.6
159.04395	1.4
160.05196	3.5
162.06801	1.3
163.03955	2.6
164.04810	2.3
169.05273	2.4
172.05286	2.3
173.06111	1.1
175.07614	1.6
184.04002	2.5
185.04808	2.8
186.05502	1.2
186.06960	1.5
187.02628	1.3
188.04768	2.9
198.05634	2.1
199.06187	1.9
199.07751	1.5
200.04768	1.4
201.01869	1.0
211.13420	1.1
213.04272	11.5
227.05725	1.5
255.13995	2.8
256.03891	1.5
257.15503	24.0
258.15918	1.9
267.13953	1.6
283.13452	4.0
285.15027	3.5
292.13315	1.2
293.12057	1.4
294.15030	1.4
299.05621	3.4
301.14529	11.2
302.14893	1.6
310.14612	8.3
311.12827	5.9
312.13165	1.5
312.16312	1.1
313.27493	1.6
320.13004	1.9
327.25595	2.6
328.15634	24.6
329.13882	13.2
330.14322	2.1
338.14059	22.1
339.14395	3.0
356.15131	100.0
357.09894	3.1
357.15439	12.4
357.22556	1.0
357.26556	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	355.2499
Annotation	13,14-dihydro-PGF2alpha
Peak:m/z	Relative Intensity
59.01022	0.9
59.01265	7.6
60.23070	0.7
71.01263	1.9
73.02860	4.2
78.60334	0.9
89.02335	1.1
97.06522	0.9
98.03654	1.3
99.08047	2.5
101.02382	1.0
112.05177	0.9
115.07586	1.8
119.03420	0.7
121.34406	0.8
127.07574	6.1
127.11163	1.1
129.08238	1.6
129.09151	28.0
130.09526	1.6
141.09158	13.1
155.10744	7.7
161.04549	0.8
173.08098	0.8
183.01173	2.2
199.13408	6.1
213.14973	43.5
214.15265	2.4
220.02583	0.8
225.15001	37.2
226.15352	2.2
237.14977	5.8
253.09462	1.0
291.19824	1.9
293.21237	1.9
301.21689	1.1
305.17780	1.2
319.22830	10.7
337.20099	1.3
337.23978	20.7
338.24313	1.2
342.24777	0.8
355.20184	4.6
355.24982	100.0
356.25357	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	356.0996
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
55.70100	0.3
59.01269	2.1
60.09886	0.3
62.39538	0.4
69.52800	0.5
69.53207	2.4
71.01280	1.4
81.83352	0.3
85.02842	1.1
89.02312	0.9
96.95921	0.6
100.06825	0.3
101.02332	0.6
106.06535	100.0
107.06863	4.1
108.08106	5.2
113.02367	1.3
118.06550	0.9
120.08123	0.8
123.04408	0.8
125.02361	0.6
128.03461	1.2
130.06544	0.6
131.03685	1.6
132.04462	0.4
136.07614	0.4
139.03911	0.5
146.06079	0.5
150.05551	50.2
151.05914	2.0
162.05565	0.3
164.07127	9.8
165.07416	0.5
167.40280	0.3
173.44810	0.4
174.05560	1.0
177.01947	0.5
189.01906	1.5
192.06650	7.2
193.07056	0.4
194.04565	27.4
195.03000	0.3
195.04851	0.8
217.01402	2.1
236.05673	5.0
237.06110	0.4
296.07843	4.2
356.09888	10.8
357.06198	1.6
357.10303	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	8.9
63.81027	1.1
65.62350	1.0
67.05916	1.1
70.05167	1.1
71.01260	6.0
71.20705	1.6
71.21035	1.8
73.02837	6.4
75.29263	1.2
85.02845	2.9
89.02335	7.2
95.01252	1.4
96.95907	1.4
101.02363	2.4
102.85088	1.1
109.02866	5.2
113.02382	3.4
117.02052	1.2
119.03443	3.2
120.00844	3.6
123.00806	6.2
124.01595	3.1
133.01614	4.9
138.03157	2.8
139.03914	4.3
151.03970	2.0
153.01833	3.6
161.01138	100.0
162.01503	3.8
175.03864	1.4
176.03497	31.1
177.01932	1.3
179.05478	1.7
183.95439	1.2
194.05357	2.1
195.02971	10.5
237.04060	3.7
250.45966	1.2
264.05304	2.1
283.08441	1.7
297.06326	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	355.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05841	1.3
59.28291	1.0
71.45026	1.9
93.35932	1.1
98.19701	1.2
99.92485	53.5
100.92490	1.8
104.73486	1.3
112.12599	1.3
115.91985	30.3
116.92776	100.0
117.92778	3.9
129.15576	1.0
137.82341	1.2
225.22279	2.1
234.38548	1.3
311.16742	1.3
325.14935	1.2
343.15765	1.6
355.15894	85.6
355.19061	3.2
356.16071	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.5
59.01265	8.3
69.03338	1.1
71.01290	1.2
71.62843	1.2
74.26008	0.6
80.02547	0.9
81.03334	2.2
83.04913	1.5
85.02885	0.8
95.01273	1.0
95.04930	2.5
97.02866	5.0
97.06480	1.3
97.43972	0.5
101.97637	0.6
106.04154	1.1
107.04920	0.8
109.06482	1.2
113.06027	1.1
115.07572	2.2
121.06505	1.5
123.04426	4.4
123.08077	3.3
125.06025	1.9
125.09668	5.7
133.06509	1.0
134.03642	0.6
135.08081	1.6
136.05190	1.0
137.05998	0.9
137.09659	4.9
141.12796	1.9
142.02696	0.8
143.07086	1.1
149.06007	1.6
151.11096	0.6
160.08922	0.8
161.04510	1.1
161.09628	0.8
162.10425	0.7
163.07550	1.4
163.11255	8.8
164.08330	0.6
165.09134	2.2
165.12843	0.9
166.09990	0.9
171.10234	1.0
177.12836	1.4
179.10742	1.8
181.12299	2.0
183.01151	0.9
185.11810	10.0
189.12807	0.9
191.14383	11.0
197.11800	2.0
207.10289	5.7
217.15958	1.6
225.11430	4.8
225.14957	1.3
227.18112	0.9
243.17702	0.8
245.19160	29.5
246.19435	2.5
247.17096	0.9
253.09358	0.7
255.16051	1.1
257.17654	1.2
271.17087	2.1
289.18170	100.0
290.18542	10.5
291.19763	1.7
307.19235	65.8
308.19568	7.1
309.20682	1.6
337.24023	0.6
355.19583	10.4
355.24411	1.0
356.19873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.229
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.84340	1.4
59.01270	7.0
69.29829	12.0
85.02837	3.0
98.14201	1.3
107.04932	2.0
109.02875	1.5
113.20663	1.3
122.03662	10.3
127.07545	1.9
135.04446	23.7
136.01584	2.2
147.08139	2.5
149.06017	2.5
149.09627	6.9
151.07599	3.7
154.02650	3.8
161.04526	1.3
161.09665	10.7
163.07565	4.0
163.11244	51.7
164.08369	14.4
164.11589	2.9
165.09201	10.4
177.09177	63.5
178.09950	21.3
178.73250	1.3
179.10750	68.7
180.11143	3.7
181.43591	1.4
183.10284	2.7
187.11253	1.6
191.10747	12.8
191.99957	1.2
193.08667	11.5
280.14752	3.3
298.15829	50.7
299.16223	5.1
322.19321	1.9
330.64484	1.5
337.21823	51.1
338.22162	6.3
340.16260	2.7
340.20508	90.2
341.20761	12.3
355.22900	100.0
356.23138	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	355.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	41.6
64.22265	2.0
71.01283	21.5
71.61767	2.2
72.99188	3.0
81.33670	2.4
84.30957	2.0
85.02834	5.0
89.02337	11.8
96.95922	2.5
101.02338	10.8
101.56776	2.3
109.23295	2.0
113.02353	6.7
118.70462	2.4
132.02081	7.9
133.02885	3.1
134.03671	100.0
135.04111	3.1
137.02338	4.2
147.04471	9.8
147.05589	2.3
148.05240	6.0
149.06039	27.2
160.01604	63.1
161.01973	5.2
168.85339	2.1
173.04578	4.0
175.02496	4.8
175.03961	66.3
176.04758	24.1
177.01895	4.5
177.05276	2.4
178.02739	14.2
191.05496	4.2
191.07095	35.7
192.04315	2.8
192.07518	2.6
193.05038	96.8
194.05396	5.3
207.06621	7.8
217.05025	5.2
220.03725	4.5
221.08334	3.1
221.51306	2.0
235.06139	68.0
236.06438	5.0
251.88646	2.3
265.07251	32.7
266.07648	2.4
295.08307	66.2
296.08667	4.3
355.10315	9.1
369.06277	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	355.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32154	0.8
52.39202	0.8
56.34920	1.0
58.00475	1.6
59.01269	39.8
60.69032	0.9
69.38076	3.7
69.38499	5.3
71.01271	24.5
72.17487	0.9
72.99194	1.1
75.70934	0.8
83.01279	1.6
85.02850	4.1
89.02347	11.3
95.01279	1.2
101.02360	9.3
105.13512	0.9
113.02367	7.7
117.03387	2.5
119.03406	3.1
121.02873	1.3
132.02087	12.3
133.02898	7.7
134.03670	94.2
135.04187	3.5
136.01556	1.6
137.02393	3.1
147.04472	11.1
148.05252	6.0
149.06035	24.9
150.06384	1.3
151.03964	1.4
152.93915	1.1
154.53238	0.9
160.01611	68.2
161.01984	2.6
162.03250	1.1
163.03864	1.0
163.07625	1.5
173.05997	2.4
174.03177	2.2
175.03972	72.2
176.04730	35.1
177.01932	4.8
177.05276	1.3
178.02687	11.0
179.03389	1.1
184.03998	1.0
188.04744	1.2
191.07121	47.1
192.04292	2.9
192.07442	2.5
193.05040	100.0
194.05321	6.7
202.02707	1.9
207.06627	10.6
217.05087	8.3
220.03729	7.0
221.04291	1.3
221.08125	1.3
235.06143	89.1
236.06541	6.1
247.06250	1.7
259.06192	1.1
265.07224	39.0
266.07562	2.9
280.52634	0.9
286.81931	1.0
295.08295	87.1
296.08679	7.4
329.13766	1.1
355.10693	1.7
356.15097	2.1
365.49634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1044
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
56.90770	0.5
58.00476	1.0
59.01265	25.6
63.44398	0.5
69.03371	0.6
70.08897	1.9
70.09301	1.0
71.01273	19.5
71.35907	0.6
72.99197	1.6
73.02839	0.5
75.84892	0.5
83.01266	1.0
83.04926	0.7
85.02873	2.9
89.02345	10.5
95.01288	1.8
101.02353	6.9
101.70790	0.7
113.02367	5.2
117.03382	2.2
119.03439	2.0
121.02889	0.9
132.02109	6.6
133.02885	6.0
134.03671	68.2
135.03952	2.7
136.01564	1.2
137.02361	2.9
147.04472	6.8
148.05261	4.6
149.06023	21.7
150.06380	1.1
151.03984	1.1
158.03690	1.1
160.01611	44.9
160.11469	0.6
161.02011	1.2
161.04468	1.1
162.03224	0.6
162.06773	0.7
173.06024	1.9
174.03134	1.4
175.03969	56.1
176.04742	20.7
177.01878	3.9
177.05254	1.4
178.02684	14.8
179.03059	0.9
191.07123	27.6
192.04234	1.7
192.07468	2.0
193.05043	100.0
194.05380	5.8
202.02704	2.0
207.06633	6.5
208.07045	0.7
217.05077	6.3
220.03848	3.3
221.08237	1.0
235.06137	63.3
236.06503	5.0
247.06059	1.1
265.07236	51.0
266.07553	4.7
283.78555	0.6
295.08301	61.0
296.08646	5.2
332.14810	0.7
356.14740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00489	1.5
59.01265	39.3
62.41344	0.6
62.48038	0.6
65.51103	0.7
68.67632	0.7
69.36346	6.8
71.01272	27.0
72.99184	1.6
73.02837	0.7
78.91971	0.7
83.01288	1.0
85.02853	4.2
87.00772	1.0
89.02335	13.5
89.87075	0.7
95.01287	1.5
99.00768	0.9
101.02351	8.9
108.33907	0.7
113.02356	6.8
117.03380	2.4
118.02911	0.9
119.03432	2.3
121.02897	1.3
123.00827	0.8
132.02110	10.7
133.02907	7.3
134.03671	100.0
135.04138	2.4
136.01599	1.9
137.02362	2.7
137.59209	0.7
139.03871	0.9
146.03741	0.9
147.04468	11.1
148.05258	6.2
149.06024	25.7
150.06329	1.7
151.03929	2.2
158.03720	1.2
160.01613	69.1
161.01967	4.4
161.04504	1.1
162.06828	1.1
162.86542	0.7
163.03967	1.6
163.07555	1.5
164.04686	1.2
165.92091	0.6
173.06052	2.2
174.03175	1.4
174.08603	1.0
175.03972	77.6
176.04744	33.0
177.01883	4.8
177.05225	2.5
178.02666	14.9
179.03221	1.6
183.23854	0.7
184.03981	2.4
188.04825	1.4
189.05505	1.1
191.07112	44.4
192.04277	3.0
192.07478	2.8
193.05037	99.2
194.05327	6.9
199.27901	0.6
202.02679	3.6
207.06596	8.8
217.05055	8.8
220.03792	6.7
221.08319	1.2
235.06137	83.7
236.06454	5.0
239.06973	0.8
247.06194	1.4
265.07242	37.1
266.07562	2.6
267.06598	1.3
270.08191	0.7
280.06189	0.8
289.07111	0.8
295.08295	83.9
296.08627	7.2
311.12924	1.4
313.13309	1.5
329.13864	3.2
340.09564	1.7
355.11990	3.5
356.15112	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	354.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	100.0
60.01617	1.0
61.98742	0.9
68.02421	2.0
71.01279	0.5
71.52794	1.0
89.26630	0.5
96.64297	0.5
106.21999	0.5
155.20111	0.5
161.10553	0.6
189.81087	0.5
270.22809	0.6
355.25131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1045
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
59.00987	1.9
59.01262	14.4
61.98706	3.0
71.01266	4.4
71.51945	2.4
72.99209	2.2
73.02866	2.3
75.00778	2.0
80.34497	1.4
83.01263	3.3
85.02843	2.0
87.00762	4.5
94.73193	1.5
113.02409	1.4
115.00282	6.1
119.08332	1.5
134.03671	2.9
137.33223	1.4
149.05942	1.6
161.01027	1.4
174.01660	49.1
175.02345	5.2
175.03824	1.5
178.02588	2.1
179.07115	3.2
193.01498	1.7
193.05087	6.2
209.08340	2.2
235.05939	2.1
237.07710	2.8
265.07230	7.1
295.08188	8.5
319.38358	1.5
355.10428	100.0
356.06757	1.7
356.10751	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	355.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.8
59.01266	11.4
69.42971	1.9
69.43399	2.6
71.01276	7.8
72.99199	1.2
83.01267	0.6
85.02866	1.8
86.83684	0.5
87.00780	0.6
89.02351	4.7
89.22966	0.4
95.01294	0.9
101.02341	2.1
106.04160	8.8
113.02371	2.4
116.14173	0.6
119.03421	2.0
119.04955	0.8
121.02889	0.9
132.02109	10.2
133.02960	1.2
134.03674	58.4
135.04050	2.1
137.02376	0.9
147.04451	3.0
148.00322	0.7
148.05208	0.7
149.06033	22.8
150.03181	4.9
150.06355	1.5
151.03987	0.6
160.01617	57.7
161.01927	2.8
165.99020	0.5
174.01715	0.7
174.03220	0.8
175.03981	75.8
176.04568	6.5
177.01921	1.5
178.02689	11.8
179.03148	0.7
183.55684	0.6
189.02145	0.6
191.07140	8.4
192.04379	0.8
192.07487	0.7
193.05058	100.0
194.05403	6.1
202.02744	1.0
206.34460	0.5
207.06647	2.2
217.05014	4.7
218.05180	0.6
220.03738	1.0
235.06137	14.7
235.08414	1.1
236.06485	1.2
265.07285	8.1
266.07681	0.6
295.05063	0.9
295.08319	16.0
296.08609	2.0
355.10410	12.9
356.10876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1043
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
58.00478	0.3
59.01266	6.6
62.10699	0.2
71.01275	3.9
71.18445	0.3
71.23399	0.6
72.99193	0.4
73.02805	0.3
81.49288	0.2
85.02845	1.1
89.02345	3.2
95.01222	0.2
96.95926	0.7
101.02371	2.0
101.66515	0.2
106.04160	0.9
113.02367	1.7
119.03411	1.1
119.58304	0.2
121.02876	0.3
132.02101	9.6
133.02457	0.4
134.03671	9.8
135.04019	0.5
147.04483	0.5
149.06042	3.7
150.03174	0.6
160.01613	56.0
161.01956	3.4
162.25185	0.2
172.42786	0.2
174.01752	0.3
174.03159	0.4
174.16835	0.3
175.03972	100.0
176.04317	6.0
178.02727	1.3
189.05571	0.3
191.05573	0.4
191.07068	2.4
193.05042	28.3
194.05391	1.7
202.02768	0.8
207.06572	0.8
217.05066	6.2
217.07158	0.3
218.05357	0.4
221.08238	0.4
235.06146	3.2
265.07217	1.0
295.08258	2.0
338.10587	0.3
355.10431	8.6
356.10840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.7
59.25746	0.2
59.99874	0.2
67.01764	0.4
71.01263	0.9
71.52015	0.4
79.57846	0.2
80.74452	0.2
80.96400	0.8
81.03366	0.3
85.02846	7.8
87.00777	1.4
93.03366	3.3
96.95927	0.5
106.57745	0.2
109.02860	0.6
111.04426	1.2
127.03931	2.1
133.02869	0.9
135.04469	2.2
143.04533	0.3
149.99586	0.3
153.01906	0.5
155.03410	0.3
161.02396	2.4
171.02933	0.7
173.04576	1.5
179.03438	1.9
180.03781	0.3
181.01337	0.3
182.02222	0.3
183.02937	0.2
191.05592	100.0
192.05949	4.0
225.04144	0.3
293.37500	0.2
327.07416	0.4
353.08813	2.7
353.12665	0.3
354.05984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2131
Annotation	Guayulin B
Peak:m/z	Relative Intensity
56.25943	0.2
57.41899	0.2
59.01269	0.4
60.69980	0.3
70.28283	0.5
70.28655	0.7
88.12410	0.2
94.35448	0.2
96.95921	0.7
102.73700	0.2
131.89922	0.2
134.30159	0.2
147.08110	0.3
163.11244	87.7
164.11581	5.8
177.09178	69.7
178.09531	4.4
191.05649	0.2
194.05861	0.3
222.09041	0.7
232.66049	0.2
261.40588	0.2
288.77826	0.2
296.77173	0.2
353.21301	100.0
354.21628	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	353.2342
Annotation	Aikupikoxide B
Peak:m/z	Relative Intensity
57.03333	8.0
59.01265	23.6
59.33055	3.5
71.01300	5.4
88.76122	3.1
93.80812	3.4
95.01325	3.7
97.06451	4.8
98.19751	7.9
107.08536	5.6
109.06507	7.5
125.09657	14.7
135.04478	5.4
136.40283	3.2
151.11285	15.9
152.11627	3.4
163.11201	13.7
165.12758	3.9
175.11191	4.3
179.10738	7.2
191.05591	8.2
191.14386	16.2
192.14766	4.2
205.12364	4.8
245.19168	22.5
261.18607	3.6
271.16934	6.5
289.18213	65.6
290.18481	5.8
306.18622	3.8
307.19440	4.3
321.20770	95.3
322.21118	11.0
338.23950	9.5
353.23361	100.0
354.23764	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	353.2343
Annotation	Rhodomollein XVII
Peak:m/z	Relative Intensity
51.49425	0.7
55.24491	0.7
57.03335	0.8
59.01269	5.8
60.19459	0.8
60.99419	0.7
71.01279	5.4
71.04903	0.8
71.54659	1.5
72.02068	1.6
73.02865	0.8
80.02567	1.5
84.02074	2.5
85.02880	1.6
95.04903	1.3
97.06478	1.6
98.57209	0.8
99.00835	0.8
99.04439	1.1
99.08062	3.0
100.78340	0.8
109.06528	1.6
112.05209	1.2
115.07555	3.9
125.06026	0.8
125.09655	2.4
127.07574	12.4
135.04445	1.8
135.08072	1.5
137.09671	1.0
139.07564	3.9
153.09167	7.7
153.12779	2.2
155.10713	5.4
163.03163	0.9
178.09998	3.2
191.05563	2.9
193.16042	1.3
197.11774	1.7
199.13365	6.9
209.11938	1.7
209.15433	1.6
213.14981	14.8
215.12907	1.7
219.13875	1.2
225.14967	13.8
226.15308	1.1
227.12903	2.0
235.13463	2.4
237.14989	70.7
238.15332	5.4
255.16066	1.3
264.13748	1.2
266.15186	4.0
273.22449	0.9
283.15710	1.3
284.16364	2.0
291.23508	0.9
307.22672	1.4
309.20804	1.5
309.24457	1.2
317.21271	10.5
318.21664	1.0
325.23898	1.1
327.21878	0.9
335.22366	100.0
336.22659	11.4
348.94162	0.8
353.23453	31.6
354.23761	4.2
376.43854	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	20.5
65.06297	3.3
78.95805	4.0
90.59505	3.9
96.21613	3.3
100.95334	3.9
109.68184	4.2
113.06022	6.0
115.07508	6.6
123.00803	4.8
127.07578	8.3
135.04471	4.8
151.11226	18.0
153.12788	13.5
155.14316	5.5
155.23303	4.8
165.12897	3.8
183.10175	5.9
183.13831	4.4
191.05620	10.1
197.11803	23.0
199.13402	35.2
215.12910	28.8
227.09233	9.6
227.12927	100.0
228.13295	8.6
229.14494	57.1
230.14760	6.6
289.18274	4.6
297.20886	4.9
303.71225	4.8
307.19296	34.6
308.19345	5.8
325.20212	24.9
352.21317	8.1
353.19772	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	353.0887
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01266	1.2
69.03357	0.5
71.01289	0.6
71.17153	1.0
76.42017	0.5
81.03346	0.9
83.04916	0.9
85.02851	11.4
87.00766	2.6
91.05441	0.8
93.03358	5.5
94.88695	0.4
95.75568	0.4
97.75859	0.4
99.04409	0.9
107.04945	1.9
109.02889	1.3
111.04444	3.0
112.04816	0.4
117.03401	0.9
127.03929	2.9
129.01886	0.5
133.02898	2.0
134.03685	7.8
135.04456	77.4
136.04819	3.4
155.03453	1.4
161.02383	3.3
171.02953	0.5
173.04549	3.4
179.03479	45.6
180.03773	2.7
191.05605	100.0
192.05949	4.7
315.08646	0.4
331.66074	0.5
353.08868	14.4
354.09296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0887
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
53.83974	0.2
57.03344	0.5
59.01259	1.6
67.01789	0.5
70.39755	0.7
71.01262	1.5
73.02866	0.6
81.03352	0.5
83.04929	1.0
85.02845	9.4
87.00761	2.2
91.05433	0.5
93.03358	5.2
98.20171	0.5
98.34396	0.3
99.04476	0.3
106.04178	0.3
107.04960	1.7
109.02881	1.0
111.00775	1.6
111.04436	2.5
113.02357	0.3
117.03374	0.6
127.03954	2.3
133.02882	1.3
134.03668	6.4
135.04454	70.7
136.04788	2.6
137.02350	0.6
155.03435	1.7
161.02409	4.1
173.04518	4.3
176.72066	0.3
179.03467	51.5
180.03824	2.9
191.05589	100.0
192.05934	4.0
231.87358	0.2
279.95343	0.3
326.16876	0.3
353.08783	12.3
354.09070	1.6
362.15646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46938	0.6
59.01260	1.5
66.80947	0.6
67.01771	0.7
71.01292	1.0
71.21712	0.7
77.45266	0.6
81.03366	0.6
83.04894	0.8
85.02837	7.8
87.00769	1.3
93.03370	4.4
94.00932	0.6
95.55552	0.7
103.95001	0.7
107.04913	1.3
109.02869	0.8
111.00824	0.8
111.04427	2.4
127.03945	1.8
133.02905	1.7
134.03670	5.0
135.04454	41.4
136.04758	1.8
144.22334	0.7
148.23685	0.6
155.03456	0.8
159.52386	0.7
161.02373	2.4
165.80508	0.7
173.04514	5.3
179.03467	41.8
180.03792	2.9
191.05586	100.0
192.05946	4.7
204.53787	0.7
310.25327	0.7
353.08792	19.0
354.09225	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	353.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42716	0.3
57.03332	0.4
59.01264	1.6
64.03077	0.4
67.01778	0.6
71.01273	1.2
71.30737	0.6
73.02858	0.4
81.03354	0.3
83.04919	0.6
84.29938	0.3
85.02850	11.8
87.00763	2.1
93.03365	5.3
104.05076	0.3
109.02894	1.4
111.04463	1.4
115.00408	0.3
125.71166	0.3
127.03938	2.5
133.02916	0.8
134.03679	0.7
135.04445	4.5
152.73695	0.3
155.03473	0.6
159.55969	0.3
161.02397	1.7
171.02986	0.6
173.04520	5.1
174.04791	0.4
179.03467	2.7
184.92119	0.3
191.05592	100.0
192.05937	4.2
214.13620	0.3
216.21730	0.3
243.06618	0.3
244.06696	0.5
261.33221	0.3
317.42929	0.3
353.08804	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01266	3.3
64.27038	0.6
67.01788	5.9
69.03358	1.2
71.01273	4.6
71.41286	0.6
71.41606	0.7
73.02835	0.7
81.03354	1.6
83.04910	1.8
85.02839	9.4
87.00778	2.7
89.37988	0.6
93.03359	28.2
94.03688	0.8
96.95922	0.6
101.02389	0.8
107.04932	1.2
108.02054	0.6
109.02855	2.4
110.01256	0.5
111.00791	1.7
111.04424	6.0
113.02354	1.2
115.00307	0.6
127.03923	3.3
133.02864	1.7
134.03661	4.4
135.04453	78.5
136.04793	3.3
137.02380	5.9
143.03445	0.5
149.06015	0.7
155.03447	5.8
161.02397	5.2
161.06062	0.8
163.03943	0.6
171.02899	0.7
173.04512	100.0
174.04834	5.1
179.03465	67.4
180.03830	4.4
191.05585	67.4
192.03236	0.5
192.05899	3.2
205.05087	5.8
215.03590	0.5
233.04539	5.8
234.04794	0.7
243.06757	0.9
244.06757	0.9
266.06345	0.8
267.06796	0.5
271.09674	0.7
279.61282	0.6
302.47266	0.6
353.08865	20.0
354.09079	2.2
360.37134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13274	0.6
59.01259	2.6
69.03351	0.8
71.01266	6.3
71.25775	1.9
72.01627	0.8
72.99197	3.1
73.02846	2.4
75.00766	2.7
75.87890	0.8
76.96931	1.2
78.95778	1.5
78.98489	2.4
79.95631	100.0
80.96415	53.0
81.03342	0.7
81.95197	1.6
82.96011	0.9
85.02844	2.2
87.00785	3.1
91.03931	1.9
94.97993	12.5
96.95913	6.2
97.02840	1.7
101.02335	3.5
105.01837	5.2
106.98029	1.7
111.00793	0.9
111.94630	2.6
113.02367	1.9
120.95933	3.3
122.97510	12.6
125.02365	3.2
127.03911	1.4
131.03404	1.7
134.97556	3.7
135.02895	0.8
136.99117	4.1
138.97003	5.7
141.01894	3.0
148.99081	4.5
152.98586	8.5
164.98599	6.8
173.10452	0.8
176.98724	0.9
179.00174	1.8
182.99611	5.6
191.05608	2.7
191.11908	0.8
194.04160	0.8
197.01242	2.7
202.36270	0.8
206.99660	6.0
215.02371	1.2
216.21695	0.8
222.99232	0.8
225.00757	36.2
226.01109	1.4
238.98749	0.9
241.00298	9.6
243.01883	7.3
271.01343	7.2
285.02936	6.5
288.00705	0.7
301.02438	13.6
302.02643	1.2
315.04013	27.6
316.04199	1.8
331.03372	1.7
337.69431	0.9
349.04517	14.8
353.01938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0609
Annotation	Sulfometuron
Peak:m/z	Relative Intensity
54.06665	0.3
55.01783	0.3
57.03350	0.3
59.01268	1.9
71.01273	3.0
71.39433	0.6
72.99201	0.4
73.02844	0.8
77.92969	0.3
79.95634	3.0
80.96424	2.1
83.01291	0.8
84.14600	0.3
85.02831	1.3
87.00751	0.3
89.02360	0.3
91.67510	0.3
93.99049	0.3
95.01281	0.4
95.95137	1.3
96.95915	88.5
97.95853	0.4
101.02335	1.8
113.02377	0.7
122.97501	1.7
137.35106	0.3
138.97003	1.2
140.46303	0.3
150.97037	2.0
152.98601	0.3
153.43027	0.3
164.98578	0.7
180.98080	1.3
208.92575	0.3
240.82213	0.3
241.00270	4.0
349.06067	100.0
350.06384	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	349.2758
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
59.01262	0.5
65.58272	0.1
70.11279	0.7
70.11652	0.3
93.03375	0.2
107.20041	0.2
108.02081	0.5
109.02879	0.5
121.02840	0.2
122.03661	43.2
123.03918	1.3
124.28100	0.2
129.42494	0.2
135.04453	8.3
135.08072	0.2
136.05260	1.7
137.02390	0.2
149.06030	1.9
150.06750	0.2
154.02663	1.1
163.07599	2.0
164.08049	0.2
177.09204	3.1
191.10759	1.5
205.12399	0.9
219.13930	0.8
233.15369	0.8
233.83577	0.2
247.17043	0.6
261.18713	0.5
275.20273	0.3
289.21793	0.4
303.23169	0.4
317.25015	0.5
331.26233	0.2
333.24506	0.5
334.25238	1.6
335.25360	0.2
347.25995	4.1
347.30188	0.3
348.26309	0.5
349.27551	100.0
350.27902	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	351.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	6.8
59.01263	1.0
61.98710	0.4
69.33604	2.8
72.01975	0.3
72.99203	4.2
73.02847	3.0
81.06990	1.3
85.06480	1.3
93.03309	0.3
97.06500	1.2
98.19813	0.5
99.08058	19.4
100.08397	0.6
101.05978	2.1
103.07465	0.4
113.06009	7.7
115.07565	100.0
116.07899	3.8
117.03398	0.4
117.73814	0.3
119.04948	65.8
120.05278	2.9
125.06007	1.0
125.53152	0.3
129.04515	0.3
129.05498	9.6
143.07082	23.7
144.07460	0.7
159.06581	6.2
161.08173	0.6
163.03963	64.4
164.04282	3.2
187.06183	0.4
205.07170	46.6
206.07503	2.4
210.81264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1094
Annotation	Ningposide C
Peak:m/z	Relative Intensity
57.03337	6.5
59.01268	1.7
63.62413	0.4
69.31487	1.8
69.31916	2.6
72.99193	4.7
73.02852	2.6
81.06984	0.8
82.60988	0.4
85.06490	1.3
93.03346	0.4
97.06515	1.2
99.08061	20.2
100.08419	1.1
101.05993	1.9
113.06004	7.1
115.07565	100.0
116.07913	3.1
117.03413	0.4
119.04945	66.5
120.05279	3.2
123.92874	0.4
125.06017	0.7
129.05499	8.7
130.05821	0.4
140.43179	0.4
143.07082	20.6
144.07426	1.0
145.02888	0.5
159.06606	6.1
161.08138	0.5
163.03960	61.1
164.04253	2.9
205.07170	42.9
206.07558	1.8
259.33478	0.4
263.49103	0.4
269.03159	0.4
291.12802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	100.0
60.01612	1.1
61.98740	0.5
71.01282	0.9
71.56007	0.5
71.56365	0.3
73.02868	0.5
78.78937	0.3
78.85921	0.3
85.02869	0.4
96.95924	0.5
101.02393	1.1
143.95685	0.3
165.18907	0.4
174.01779	0.4
186.38258	0.4
209.11917	1.1
222.11650	0.3
227.12999	0.5
289.69168	0.3
289.72562	0.3
291.18134	2.0
351.14749	0.4
353.36600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30582	1.5
56.52925	1.3
59.01266	8.6
69.23753	15.0
71.01259	1.9
96.64758	1.7
96.95892	1.8
100.95995	1.4
113.05972	2.8
115.07549	4.1
127.07584	7.3
151.11223	12.4
152.77525	1.6
153.12831	12.2
179.03477	2.2
181.12395	3.1
183.13855	2.4
191.05617	5.4
197.11807	17.7
199.13382	24.2
209.11807	6.2
215.12885	22.5
216.13283	1.7
227.12904	100.0
228.13216	6.8
229.14462	53.4
230.14919	3.9
245.19028	3.1
256.13171	1.8
263.19882	1.6
277.94177	1.7
289.18137	4.8
297.20773	4.8
302.80322	1.6
307.19241	29.1
308.19479	2.4
325.20270	30.1
326.20612	3.7
353.01865	1.6
363.29559	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	7.2
59.01275	11.7
69.74886	16.6
78.95772	3.7
80.28488	2.4
98.20478	3.6
104.00060	2.5
113.06016	6.6
115.07592	6.9
127.07597	8.0
135.04477	5.6
139.34309	2.6
149.05936	2.8
151.11259	12.2
153.12807	18.8
163.11337	2.3
179.03430	4.4
183.13960	3.4
191.05559	7.9
197.11832	27.7
199.13387	31.1
200.13646	3.0
209.11816	7.5
211.13348	3.4
215.12888	28.0
227.12906	100.0
228.13324	4.6
229.14479	60.0
230.14842	4.5
245.19264	3.8
248.62834	2.3
269.21152	3.8
281.21216	3.6
289.18192	5.9
297.20898	5.7
307.19193	37.1
308.19693	6.6
325.20233	26.5
326.20425	4.6
376.96057	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	346.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86153	0.6
58.00472	1.3
59.01266	100.0
60.01604	1.1
69.58324	4.4
71.01272	22.6
72.99210	1.8
85.02855	3.5
86.15942	0.6
87.00784	1.6
89.02340	29.2
95.01300	1.6
96.95955	0.6
98.19891	1.2
101.02348	11.0
103.40379	0.7
113.02361	8.5
119.03431	9.0
129.24965	0.7
131.03462	1.3
143.03484	1.3
149.04529	1.2
161.04568	2.0
173.04517	1.4
179.05583	4.2
191.05591	1.2
198.90469	0.6
251.06473	0.6
291.03278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74393	1.2
58.77792	1.2
59.01267	6.4
60.59684	1.2
64.91499	1.3
67.01772	2.0
68.99696	1.5
69.73763	4.0
69.74181	4.7
71.01293	3.2
80.04960	1.5
81.03365	2.4
83.04000	1.3
84.04463	2.2
86.02367	1.3
91.49963	1.0
95.04913	6.2
96.04472	2.3
96.95921	2.1
108.04452	2.0
109.02909	1.4
110.06028	81.2
111.06340	1.4
116.04964	22.3
118.06571	8.4
122.06038	92.9
123.06393	3.1
124.03930	2.2
125.00875	1.4
128.03464	6.0
134.06085	1.7
138.01894	2.3
139.02336	1.6
139.03937	1.4
144.04488	61.6
145.05023	2.3
146.06055	3.3
147.03191	3.4
162.05559	80.9
163.06329	7.0
164.07121	1.5
165.01958	1.4
170.02214	1.3
171.07642	1.4
179.18417	1.5
180.88657	1.5
185.07164	1.8
188.03510	17.2
189.03883	1.8
194.04520	1.6
195.05328	4.9
202.60751	1.3
214.02658	1.7
243.11522	1.3
255.11443	17.1
267.11432	53.1
268.11740	5.2
273.12555	14.6
274.12909	2.2
285.12527	100.0
286.12830	8.8
303.05228	6.6
303.13550	24.2
304.14108	3.1
347.12549	3.9
347.18439	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	348.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38515	0.7
55.01773	0.9
57.03337	1.0
59.01267	100.0
60.01599	1.5
61.29161	0.7
61.98718	0.9
71.01273	30.1
71.62585	0.8
72.01595	0.8
72.99209	1.0
73.02837	7.3
75.23260	0.8
83.01277	2.7
85.02843	12.0
86.16256	0.7
87.00767	1.2
89.02352	4.6
89.02969	0.7
95.01289	2.5
96.21442	0.7
96.95908	2.8
97.02825	1.5
99.00798	3.1
99.93291	0.8
101.02352	16.4
113.02352	14.9
119.03430	1.9
143.03436	2.3
159.02957	3.8
161.04503	66.2
162.04808	2.1
179.05531	1.2
186.12134	0.9
188.05629	10.8
205.03473	1.5
223.95926	0.8
282.64685	0.9
288.14542	1.7
348.17435	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	345.1562
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01772	4.2
57.03325	2.9
58.00473	2.5
59.01266	69.5
60.01601	0.9
69.42280	7.0
69.72865	0.7
71.01273	57.2
72.01577	0.9
72.99197	3.6
73.02839	10.3
78.86448	0.7
82.74170	0.6
83.01274	8.0
84.02025	0.7
85.02345	1.2
85.02847	19.1
85.31594	0.7
86.00022	0.7
87.00764	2.8
89.02340	33.4
93.03374	0.9
95.01280	4.7
99.00782	4.2
99.04421	1.0
101.02348	40.2
111.00843	0.8
112.03975	7.0
113.02357	20.9
117.32111	0.7
119.03420	20.3
121.10149	6.1
122.06086	0.8
124.03976	5.4
131.03387	1.6
140.07092	1.3
143.03433	3.0
149.04529	1.3
150.81915	0.8
151.00331	2.2
159.02956	1.1
161.04539	5.6
162.22842	0.7
165.09158	1.4
165.91870	0.6
166.05052	13.5
173.04533	1.3
178.99864	1.8
179.05608	1.9
183.10255	0.9
184.06125	10.5
185.85172	0.7
191.05557	1.4
192.62650	0.6
196.81119	0.7
208.06192	1.2
226.07277	3.7
244.38283	0.8
256.08368	2.3
286.09409	1.9
292.35278	0.7
301.16678	1.4
317.03030	1.1
345.15628	100.0
346.15988	9.8
349.46231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	20.1
61.98722	5.4
71.62762	8.0
92.81750	5.4
101.56898	6.3
121.02865	7.7
165.12799	11.7
247.20642	18.5
248.96185	7.4
290.97067	7.8
291.19739	100.0
292.20062	12.7
299.16693	5.6
309.20834	80.9
310.21246	5.7
345.16833	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	345.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	10.9
61.98711	3.0
71.59314	2.3
73.04275	1.7
80.02566	4.5
83.04933	11.7
84.02079	4.3
109.94998	1.7
123.04406	2.7
125.05904	2.4
125.09714	2.1
129.09148	3.6
137.02400	2.3
141.09158	2.0
163.11244	9.4
165.01822	2.2
165.12772	7.4
171.10222	3.9
185.11833	10.5
191.10777	2.3
197.11803	8.6
209.11827	100.0
210.12186	8.9
219.64587	1.8
290.97092	5.1
345.13895	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	345.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.3
60.97943	1.2
61.98724	2.1
71.01273	2.2
71.59385	1.4
71.59740	1.3
80.02568	2.5
81.03341	3.5
83.01273	1.4
83.04917	11.3
84.02058	4.9
96.95928	1.8
109.06539	1.4
110.78542	1.3
114.94510	1.2
121.02946	1.6
125.09651	1.3
127.07601	1.8
129.09151	3.3
135.08066	2.9
141.09264	1.6
163.11264	9.6
165.12804	6.1
168.55615	1.2
171.10220	5.3
181.12328	1.2
185.11769	8.8
186.95738	1.6
191.10699	1.8
197.11861	7.6
209.11832	100.0
210.12184	6.9
290.97226	3.7
291.19763	1.7
309.20892	1.4
345.17056	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	345.0625
Annotation	Zanthoxyl flavone
Peak:m/z	Relative Intensity
59.01270	1.9
69.39603	3.3
69.40012	1.7
72.70419	0.5
80.68674	0.5
85.08291	0.5
86.70574	0.5
94.64307	0.5
98.20533	0.7
108.37453	0.6
133.03311	0.6
135.00815	0.7
151.00334	1.4
152.99561	0.6
159.04507	0.7
163.00336	1.1
164.80386	0.5
171.04471	0.9
173.02391	0.7
187.04028	1.7
188.17522	0.6
190.65370	0.6
191.03430	0.7
199.04025	0.9
203.03477	1.8
213.02013	1.2
215.03558	3.4
229.01465	0.6
231.03044	2.4
241.01503	2.5
242.02225	1.0
243.03047	4.8
258.01788	1.1
259.02524	7.7
260.02859	0.9
270.01794	1.7
271.02576	3.1
284.03372	1.0
285.04129	4.8
285.20514	0.6
286.01270	1.2
287.02057	73.7
288.02426	4.3
290.97165	1.4
301.03735	1.4
315.01556	86.7
316.01917	6.9
330.03894	100.0
331.04276	8.0
345.06250	83.5
346.06580	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	345.0624
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.60787	0.5
54.05616	0.5
55.66153	0.5
59.01260	0.9
65.00213	0.8
68.50801	0.4
70.68510	1.4
71.49299	0.4
71.92485	0.5
75.17501	0.4
78.95780	1.6
80.26559	0.5
83.01295	0.6
88.53168	0.5
91.01771	0.5
97.99103	0.4
100.88786	0.5
107.01295	1.0
125.02385	0.5
135.00790	0.6
143.04973	1.2
147.04442	0.9
149.02324	0.5
151.00311	5.3
155.05052	0.6
159.04434	1.8
161.02425	0.7
163.00294	1.9
169.32205	0.6
171.04478	2.9
175.04048	1.3
178.99846	0.7
187.03973	3.1
188.04324	0.7
189.01855	0.8
199.04039	3.2
201.01997	0.8
203.03485	12.4
204.03786	0.9
213.01875	0.7
215.03484	9.8
216.03998	0.9
217.01384	1.7
231.03012	9.3
241.01585	1.1
242.02176	0.7
243.03011	12.1
244.03392	0.8
259.02539	22.9
260.02823	1.5
269.00937	1.1
270.01794	1.1
271.02536	23.8
272.02905	2.0
285.04184	1.2
286.01215	1.1
287.02036	41.2
288.02347	3.5
315.01532	95.6
316.01859	9.0
330.03876	100.0
331.04196	9.4
345.06241	80.6
346.06613	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	345.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.4
58.00463	3.7
59.01267	100.0
59.22536	2.7
70.85334	5.5
70.85703	4.8
71.01273	65.5
71.69302	2.4
72.99183	5.4
73.02838	6.9
83.01273	6.6
85.02849	20.7
87.00783	3.1
89.02343	48.3
93.03375	5.9
95.01324	3.5
95.03700	4.4
96.95877	3.2
101.02355	55.0
106.06518	8.7
107.01309	4.6
111.00843	2.9
113.02360	25.9
117.74785	2.5
119.03414	32.4
121.02908	2.9
121.10138	8.3
124.07615	5.7
132.04482	50.9
133.05269	22.8
134.06033	6.3
139.03850	3.3
148.04056	3.9
150.05534	2.8
158.23605	3.0
161.04585	2.9
165.04265	41.7
166.04626	4.1
166.99863	3.4
173.04524	11.1
176.07280	2.7
177.04324	3.1
179.05548	6.4
183.02913	12.2
183.10295	4.2
186.09250	8.6
191.05574	9.3
197.09683	2.6
209.03204	4.9
210.01762	4.1
213.06706	3.9
214.12338	7.3
215.11864	8.5
225.04024	17.3
229.09840	2.8
240.10281	3.3
241.09831	4.8
257.12991	37.3
258.13321	6.2
259.07254	6.3
283.11008	7.0
285.06201	35.0
301.11981	31.2
302.12122	4.8
311.03976	5.1
327.10114	3.4
345.10950	97.2
345.15591	86.0
346.11078	9.7
346.15863	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	344.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07496	0.6
53.24887	0.7
53.94613	0.6
58.00470	0.9
59.00988	1.3
59.01269	17.0
60.08817	0.7
65.47005	0.6
69.03336	1.0
71.01271	16.2
71.40276	0.8
71.40612	1.2
72.99209	1.8
73.02834	2.5
81.03315	0.9
81.18298	0.7
83.01263	3.2
85.02844	3.8
87.00780	0.8
89.02346	12.1
93.03373	3.1
95.01292	2.1
95.04938	1.0
96.95908	0.7
97.02846	1.1
101.02357	6.7
108.02106	0.8
110.01681	1.3
110.02395	15.4
111.00804	8.1
112.03944	4.3
113.02359	7.9
119.03409	3.5
120.04481	0.9
121.02882	1.8
122.02416	1.3
123.03181	15.2
124.03976	6.7
125.02414	1.3
135.04410	0.7
136.03978	11.0
137.02374	1.6
137.06004	1.9
138.05547	100.0
139.05939	4.0
140.85617	0.8
146.02408	1.9
149.01123	2.6
150.05530	4.0
151.00310	1.0
152.03488	3.0
152.07083	1.3
161.04497	1.0
162.05551	2.0
164.03488	60.6
165.03842	2.6
166.05072	0.7
167.03490	1.7
178.05074	3.6
179.05559	1.6
180.06635	13.1
182.04565	14.9
187.91054	0.7
191.02263	1.5
192.06639	3.0
194.04555	1.9
196.06152	2.6
206.04591	38.0
207.04901	1.9
210.07744	0.8
222.07658	0.9
224.05658	37.5
225.06026	1.5
236.05679	5.9
242.02145	1.1
254.06744	13.6
255.06961	0.8
258.01675	1.3
266.06729	2.2
271.02243	1.0
284.07840	23.3
285.04135	2.9
285.08304	1.4
287.02118	0.8
301.03552	1.5
315.01541	1.6
329.03046	1.4
330.04041	1.9
344.05313	3.5
344.15213	2.3
345.06259	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	345.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72122	0.2
59.01262	1.1
62.73165	0.2
63.02285	0.5
65.00224	0.5
71.01259	0.8
83.01291	0.5
89.02345	0.4
89.65240	0.2
98.19691	0.5
101.02372	0.3
107.01292	1.5
113.02334	0.2
115.05460	0.3
119.01309	0.3
123.00772	0.4
126.94938	0.2
131.04988	0.2
133.02826	0.2
135.00813	0.6
137.02373	0.2
143.04962	0.9
145.02901	0.4
147.04456	0.6
149.99503	0.2
151.00320	4.3
155.04976	0.3
155.97984	0.2
157.02901	0.4
159.04466	1.4
161.02391	0.3
163.00316	1.4
163.04065	0.2
164.01039	0.3
169.01369	0.2
169.02814	0.3
171.04506	1.4
173.02434	0.4
175.03963	0.9
177.01888	0.2
178.99820	0.7
185.02386	0.2
187.03979	2.8
189.01961	0.7
190.02673	0.3
191.03568	0.3
192.00644	0.2
193.01390	0.4
199.03989	1.9
201.01891	0.9
203.03494	9.5
204.03935	0.7
213.01926	0.8
214.02603	0.4
215.03490	5.5
216.03954	0.4
217.01414	1.4
218.02263	0.3
219.03160	0.2
227.03494	0.6
229.01448	0.3
230.02255	0.5
231.03004	6.3
232.03481	0.5
241.01485	1.2
242.02206	1.3
243.03015	7.8
244.03415	0.6
245.00851	0.4
246.01553	0.3
257.00912	0.2
258.01779	1.9
259.02524	19.7
260.02856	1.3
269.00986	0.8
270.01862	0.7
271.02548	11.4
272.02872	1.0
273.04132	1.3
274.04684	1.1
285.00787	0.4
285.04083	1.7
286.01413	1.1
286.04214	0.3
287.02045	27.9
288.02353	2.4
289.07245	0.6
299.02155	0.3
301.03610	1.5
302.00827	0.3
302.04129	1.4
313.03763	0.2
315.01544	50.6
316.01855	4.3
317.03305	0.4
317.06726	1.1
329.03171	0.7
330.03873	30.2
331.04181	2.6
345.06229	100.0
346.03275	0.4
346.06570	9.5
346.17929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	3.0
58.68620	1.6
59.01266	13.6
60.80447	1.5
61.98675	1.6
69.31322	1.8
70.71689	1.5
71.01276	5.3
71.04919	1.9
71.33647	2.7
73.02850	8.0
74.80333	1.7
83.04905	1.7
96.95943	2.8
97.02898	2.8
97.06493	7.7
99.08070	2.3
99.69534	1.5
109.02881	2.6
111.08038	2.1
113.06040	2.2
113.09631	3.7
115.07558	28.6
121.02885	4.2
123.04421	1.7
125.09677	3.8
127.07571	6.8
127.11221	3.0
129.09143	40.9
137.02383	11.2
141.09152	35.4
143.10687	7.7
149.09659	1.8
151.03967	2.2
151.11253	41.1
152.11575	2.8
153.09155	3.3
153.12785	3.7
155.10683	2.9
163.11244	4.4
165.12842	3.0
167.10768	2.3
169.12265	2.8
171.10242	100.0
172.10526	8.2
179.03462	2.4
181.01410	2.1
185.11830	11.2
195.10275	4.3
197.11829	3.3
199.13339	4.9
201.11333	4.6
207.10260	2.9
209.11830	14.4
213.11343	24.1
215.12935	5.5
225.11345	3.6
227.12885	25.0
228.13231	2.8
229.14497	11.2
263.20258	3.0
270.01489	2.2
281.21344	3.1
297.20822	3.3
307.19244	13.2
313.03610	4.2
325.20273	15.1
328.05975	2.4
343.08264	3.6
343.20898	3.1
343.24780	8.9
344.15164	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	343.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84330	0.5
57.03333	1.2
59.01267	4.0
63.05594	0.6
69.03349	3.1
69.12737	0.4
71.01267	1.9
71.30492	1.1
72.52840	0.5
73.02840	2.5
75.57218	0.5
83.04918	2.3
85.02837	0.7
88.33888	0.6
95.04935	0.7
96.95903	1.5
97.02882	0.6
97.06500	3.2
99.08066	9.5
106.04185	0.6
109.06541	0.5
111.08064	1.5
113.09638	2.0
115.07571	8.5
120.01301	0.5
121.02860	0.9
125.09655	3.0
127.07575	1.4
127.11181	1.2
129.09143	11.4
130.09544	0.6
137.02361	3.3
137.09659	1.6
139.11195	0.6
141.09151	11.2
143.10703	2.9
151.11223	12.9
153.09154	0.7
165.12782	1.7
167.10767	1.3
169.12311	1.5
171.10231	34.4
172.10582	1.9
175.11176	1.3
179.03439	0.6
181.12369	0.6
185.11810	3.4
187.09796	0.9
190.52982	0.5
193.12328	17.0
194.12683	1.3
195.10278	0.8
197.11923	0.9
197.15434	1.1
199.13411	1.2
201.11356	1.8
209.11821	2.7
211.13393	3.5
213.11327	4.9
215.12874	2.0
220.03156	0.5
225.11389	1.2
225.14970	20.2
226.15358	1.3
227.12895	7.9
228.13412	0.7
229.14491	3.4
243.16069	6.4
263.20340	0.7
281.21222	0.8
293.21271	1.8
297.20874	1.0
307.19403	4.6
307.22726	0.8
311.22250	1.0
313.03323	0.6
325.20264	4.2
325.23978	1.4
343.24973	100.0
344.15057	1.6
344.25311	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	343.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01268	1.8
61.17757	0.3
69.03345	1.5
69.39587	0.6
69.39991	2.1
72.49430	0.3
83.04917	1.6
85.02853	0.3
89.02392	0.3
97.06492	0.9
99.08066	9.1
100.08379	0.3
111.08092	0.5
111.70824	0.3
111.94839	0.3
121.02907	0.5
121.10140	0.8
125.09653	1.7
127.11190	0.5
137.02371	0.8
137.09636	0.9
139.11223	0.3
141.02527	0.3
149.13341	0.8
151.11205	0.5
153.09071	0.3
163.11226	0.4
165.12802	0.8
171.08763	0.5
171.10228	8.5
172.10666	0.4
175.11261	0.8
193.12335	17.6
194.12628	0.9
197.15494	0.8
209.11844	0.9
211.13446	2.9
225.14983	23.9
226.15327	1.7
243.16049	8.4
244.16510	0.6
249.22475	0.3
289.18246	1.4
293.21402	1.8
307.19183	0.5
311.22263	0.7
325.20215	0.5
325.24045	0.6
343.24963	100.0
344.15134	0.4
344.25308	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	343.25
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03333	0.5
59.01268	1.2
62.98633	0.4
69.03339	1.3
70.55167	1.5
70.71413	0.4
83.04919	0.7
97.06474	0.8
98.19819	0.5
99.08067	7.1
111.86184	0.4
117.17681	0.4
121.10159	1.3
125.09625	1.7
137.02397	0.7
137.09628	1.2
139.11240	0.8
143.81976	0.4
149.13234	0.5
151.11235	0.8
158.41826	0.4
165.12813	1.0
171.08763	0.7
171.10242	14.5
175.11220	1.0
185.11772	0.5
193.12328	13.5
194.12636	0.8
197.15477	0.4
211.13377	3.1
218.55721	0.4
225.14980	19.5
226.15346	1.5
243.16078	6.9
293.21298	1.7
307.22824	0.5
311.22351	1.2
325.23898	1.0
343.24976	100.0
344.25354	9.6
344.29544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06412	0.3
53.77486	0.4
57.03344	0.4
59.01263	1.5
63.67870	0.4
65.07436	0.3
70.31361	0.6
70.31742	0.9
71.01272	0.4
79.85215	0.3
83.04935	0.4
84.98186	0.4
98.59812	0.3
99.08015	0.4
113.09612	1.0
121.02882	0.5
121.10155	8.4
122.10458	0.4
125.09668	1.1
127.11218	2.4
137.02359	1.7
137.09625	2.3
139.11235	0.8
141.09193	0.4
151.11336	0.4
153.09177	0.5
157.47714	0.4
160.01093	0.4
165.09076	0.7
166.92421	0.3
171.10233	64.1
172.10550	2.8
225.15021	0.4
293.21402	0.8
325.20380	2.3
343.24976	100.0
344.15356	0.5
344.25348	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03364	1.5
59.01276	9.5
71.01296	3.2
71.24220	2.9
73.02838	2.0
80.02610	1.9
81.03358	2.5
83.04920	8.7
84.02050	1.6
97.06521	3.1
99.08107	7.6
99.08673	1.5
109.06534	2.1
115.07573	10.6
121.02892	6.3
125.09654	5.3
129.09149	5.7
137.02379	11.0
137.09671	2.4
141.09161	6.7
143.10753	4.4
150.03134	2.2
151.04015	2.4
151.11290	3.5
155.10724	7.2
163.11243	5.0
165.12787	4.5
171.10233	19.1
178.09982	4.9
179.03505	2.8
181.01381	1.8
181.12308	1.8
185.11749	1.8
191.10750	4.3
193.12317	6.3
197.11891	2.7
199.09729	12.3
201.11314	3.7
207.10281	6.2
209.11835	100.0
210.12206	5.7
211.13396	2.3
215.12819	2.3
225.11409	3.2
225.14986	6.2
227.12903	1.9
243.16109	2.5
279.20044	1.7
281.21112	1.8
289.18384	3.8
307.19257	25.6
308.19690	3.5
311.22351	1.9
312.16794	1.8
313.00067	1.7
316.85632	1.7
325.20282	4.8
343.04703	3.7
343.21082	2.9
343.24997	37.5
344.15250	3.5
344.25229	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	343.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.8
69.03331	1.0
70.76215	1.0
70.76550	1.6
71.01275	1.4
71.04906	0.8
80.02599	3.4
80.02988	0.9
81.03356	3.0
83.04913	10.8
84.02040	3.7
89.02333	1.2
93.03340	0.8
95.04915	1.0
97.02813	0.8
109.02841	1.1
109.06495	0.8
121.02880	2.6
125.06017	1.4
125.09616	1.7
127.07613	1.8
135.08115	1.5
136.94794	0.7
137.02348	7.7
139.07564	1.0
147.11763	1.0
163.11240	8.1
165.12805	4.4
165.64514	0.8
171.10204	2.8
179.03439	2.6
181.01332	0.9
181.12262	1.3
185.11789	2.6
186.12151	0.9
191.10742	1.4
195.10255	1.7
197.11807	3.2
209.11821	100.0
210.12183	7.5
225.11266	3.9
239.05598	0.9
307.19214	2.1
325.20389	1.1
328.13269	2.6
333.54776	0.7
343.15369	5.0
343.21185	5.0
343.28568	0.9
344.15247	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	343.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23801	0.5
58.78132	0.5
59.01264	3.3
66.96048	0.5
67.57627	0.5
69.35310	4.4
71.01272	1.3
71.04892	0.8
80.02578	3.3
81.03349	2.7
83.01261	0.9
83.04459	1.0
83.04922	10.5
84.02065	3.2
89.02390	0.6
93.03386	1.0
95.04933	2.0
96.57142	0.6
97.02832	0.7
97.06487	1.6
98.20656	0.9
101.02362	0.5
103.14613	0.5
109.02849	1.8
109.06471	0.7
110.50093	0.5
113.02371	0.5
113.26698	0.6
121.02880	2.1
123.00837	0.5
123.04420	0.6
125.06025	1.0
125.09660	1.3
127.07568	1.5
135.08080	1.8
137.02386	8.3
138.02716	0.6
149.02367	0.6
150.03218	0.7
151.03981	1.1
163.11241	7.6
165.01889	0.7
165.12779	4.8
171.10225	3.4
179.03448	1.9
181.01398	1.6
181.12294	1.3
185.11824	2.6
191.10756	1.9
197.11835	3.1
201.02527	0.7
209.11830	100.0
210.12148	7.4
211.13457	0.8
227.12869	1.1
238.12062	0.8
285.00626	0.6
307.19287	1.5
313.03662	0.8
315.05246	1.0
328.02390	1.0
328.06165	0.9
343.04608	0.8
343.15668	0.8
343.21265	4.9
344.15170	2.1
344.21701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.2
58.00483	1.1
59.01267	7.7
62.39664	1.0
69.03355	2.3
69.40800	4.3
69.41237	4.0
71.01274	3.6
73.02849	5.1
83.04916	2.3
95.04952	1.6
96.95930	6.6
97.06493	6.1
98.19827	1.9
99.08070	12.0
109.02863	1.9
111.08086	1.9
113.09641	4.9
115.07573	18.1
121.02924	2.4
125.09637	3.4
127.07591	3.7
127.11228	2.0
128.38980	1.1
129.09140	24.2
137.02383	5.8
137.09647	1.6
141.09154	25.1
142.09492	1.1
143.10725	6.2
151.11237	24.8
152.11652	1.1
153.09157	2.0
155.10764	2.1
157.12190	1.1
163.11237	1.2
165.12770	1.2
167.10738	1.8
169.12358	1.8
171.10236	73.4
172.10580	4.2
172.94215	1.0
175.11212	1.6
179.03529	2.1
181.12372	1.1
185.11887	8.5
193.10698	2.0
193.12328	18.8
195.10281	3.0
197.11784	1.8
197.15453	1.0
199.13373	3.1
201.11250	6.2
207.34909	1.0
209.11816	8.2
211.13373	3.9
212.73729	0.9
213.11302	9.9
215.12933	2.5
217.75443	1.0
225.11400	2.0
225.14981	25.4
226.15295	3.0
227.12917	15.5
228.13239	1.0
229.14563	5.3
243.15970	7.3
263.20221	3.1
293.21249	3.1
297.20779	3.1
307.19232	10.6
311.22379	1.7
313.03705	2.0
325.20316	9.3
325.23776	1.9
343.21658	3.7
343.24976	100.0
344.14929	2.4
344.25287	13.3
345.28732	1.1
361.06107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61972	9.6
57.43961	9.5
59.01267	75.3
71.01286	20.7
71.04913	24.5
71.54395	13.9
72.99193	42.8
83.04893	11.0
89.02345	15.9
109.02853	13.0
121.02875	36.8
123.04431	16.9
129.09134	35.9
137.02374	75.3
146.74219	9.1
151.03917	12.5
163.11308	11.6
169.12248	13.7
171.10236	11.8
177.10890	10.4
179.03513	11.9
223.20493	10.9
224.41176	10.0
245.19031	23.1
267.53473	10.8
270.01648	19.8
281.25009	34.2
289.18201	89.7
297.97458	13.3
307.19247	61.1
313.00058	19.8
313.03574	47.5
319.88165	10.1
325.23996	100.0
328.02493	12.2
328.05975	36.3
339.92120	9.8
343.04507	11.6
343.08264	30.8
343.15579	22.7
343.24771	45.2
344.15027	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	343.2134
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03326	2.1
59.01262	4.4
61.98721	3.7
69.03337	1.0
70.28806	2.0
71.01266	2.3
71.04921	1.3
71.33051	0.5
73.02820	0.8
78.79617	0.5
78.95795	12.0
80.96396	1.7
81.03358	0.4
83.04913	2.5
84.02068	3.8
85.02837	2.2
85.06485	1.6
87.04391	2.9
93.03371	0.7
95.04919	6.1
96.96886	0.8
97.06487	1.8
109.02866	2.7
109.06491	0.8
113.02316	0.9
113.05986	1.6
115.07497	0.8
121.02866	1.5
123.00848	0.5
123.04423	1.9
125.09660	2.1
127.11221	1.9
133.02905	0.9
135.08070	0.6
137.02376	17.9
138.02719	0.8
140.17711	0.4
150.03185	1.5
151.03897	1.9
155.14372	1.1
161.02412	0.5
163.11244	0.6
165.12769	0.8
166.06299	0.5
167.14409	1.0
171.10222	8.5
177.12814	0.7
179.03442	3.9
181.01421	2.6
181.08757	0.8
181.12328	0.9
183.13864	4.0
185.11763	1.4
193.12343	1.5
193.75464	0.6
195.13861	0.6
201.11119	0.6
209.11864	6.4
211.13394	21.5
211.15428	1.0
212.13701	1.1
221.11772	1.5
223.13403	0.8
229.14465	21.7
230.14830	1.6
237.14980	7.4
239.05664	0.7
239.12857	1.1
245.19098	0.6
249.14960	1.8
255.16043	0.7
257.00998	0.7
267.16150	1.2
289.18091	2.7
297.04492	0.6
307.19366	1.2
325.03311	0.7
325.20313	5.8
328.02258	0.6
329.03165	2.3
343.04758	2.1
343.21326	100.0
344.05368	0.6
344.15262	2.3
344.21649	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	343.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	15.3
69.91264	3.8
88.51283	0.7
95.04904	3.6
121.02878	100.0
122.03198	4.6
122.99449	0.8
137.06021	20.3
139.24911	0.9
148.68419	0.7
162.01949	1.3
170.20320	0.8
181.05023	10.6
221.22708	0.8
343.10474	3.6
344.14920	1.6
346.71783	0.8
350.29324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1044
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.54127	0.4
53.38596	0.5
59.00989	0.9
59.01268	13.1
70.17244	2.0
71.01270	0.9
75.42785	0.5
81.03349	0.8
85.02853	0.4
91.02849	0.5
93.03363	0.5
95.04900	0.6
101.02376	0.5
107.04881	0.6
108.02129	0.6
109.02879	6.0
109.06511	3.0
110.13988	0.5
119.04948	3.8
121.02882	7.3
122.03676	0.9
123.04431	0.6
135.04456	4.7
137.02408	3.1
137.06023	30.5
138.06371	1.1
151.03983	0.6
163.03992	0.5
166.02657	0.9
181.05038	100.0
182.05373	4.8
215.89084	0.5
255.10353	1.4
291.01523	0.6
343.10428	15.2
344.10876	1.5
344.15076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1405
Annotation	Taxuside
Peak:m/z	Relative Intensity
54.62360	0.1
57.03334	0.2
59.01266	1.6
67.85629	0.1
69.59214	0.1
69.59562	0.8
71.01262	0.6
73.02828	0.3
82.52950	0.1
83.01267	0.2
85.02840	0.8
89.02322	0.1
93.03323	0.2
95.01297	0.3
96.95898	0.2
99.00754	0.1
101.02345	0.7
107.04931	0.1
108.02068	0.7
109.02885	0.6
111.04437	0.4
113.02332	0.3
119.04950	0.4
121.02898	0.5
122.03661	6.8
123.00813	3.6
123.03907	0.1
123.04527	0.1
124.01612	2.3
135.04465	0.8
136.05243	4.9
137.02382	2.5
137.06035	1.9
138.03178	1.8
139.00269	0.1
139.03957	1.6
142.84169	0.1
146.82835	0.1
150.03171	0.2
151.04012	0.3
153.01822	0.3
154.02682	0.8
161.04564	0.2
163.07588	0.2
165.05542	0.3
166.02676	0.5
166.06253	0.7
179.01932	0.1
179.03470	0.4
179.07103	0.5
180.04259	6.1
180.07532	0.2
181.05394	2.3
181.08675	100.0
182.09009	4.9
193.04999	0.3
255.10310	0.3
283.08224	0.8
343.10413	4.5
343.14148	3.6
344.10706	0.4
344.14563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0469
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
51.15674	0.6
55.13565	0.6
57.03371	0.5
59.01265	3.7
61.04671	0.6
61.98729	3.0
71.01288	1.2
71.27339	1.2
73.02827	0.6
75.55094	0.5
78.35013	0.6
78.95799	11.1
79.64182	0.7
80.52791	0.6
80.96411	2.1
84.02045	0.7
85.02812	0.8
87.04388	0.6
90.95638	0.6
94.97980	0.6
95.04926	0.6
96.08466	0.6
101.02337	0.7
109.02879	2.3
117.03423	0.8
119.04958	0.7
121.02882	2.0
123.04436	1.3
137.02377	16.5
138.02733	0.9
141.03398	2.3
143.04930	1.3
147.04436	1.5
150.03185	1.6
151.03947	1.7
153.03426	4.1
157.02919	1.2
158.41812	0.7
169.02910	4.5
171.04553	2.8
171.10255	0.9
173.02374	0.6
173.06056	0.9
179.03453	3.8
181.01439	1.3
181.02879	4.2
185.02385	1.2
187.00316	0.9
187.03923	5.1
197.02452	9.4
197.11760	0.9
198.03046	0.8
199.04025	4.9
209.02460	8.3
209.11729	1.4
210.03075	1.0
211.13342	0.8
213.02028	1.3
214.02846	0.7
215.03424	1.0
225.02005	5.9
226.02574	1.7
226.63383	0.6
227.03479	3.0
252.00664	1.6
253.01472	100.0
254.01764	7.8
255.03195	0.7
268.00092	1.5
269.00977	16.1
283.02417	0.8
312.02899	3.8
312.99997	0.8
313.03436	1.4
315.05521	0.7
321.65295	0.7
343.04675	75.2
343.21274	10.6
343.24936	0.8
344.05042	7.9
344.15250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27040	0.5
56.53373	0.4
59.05157	0.5
64.38307	0.4
65.00193	0.6
68.95804	0.5
70.20348	1.4
70.20754	1.0
80.10491	0.6
80.52475	0.4
87.79216	0.5
88.84214	0.5
97.02839	0.6
98.19672	0.5
107.18256	0.5
144.23938	0.5
145.02974	0.6
149.03726	0.5
165.01903	3.4
185.15399	0.5
198.03156	1.7
210.03159	0.9
213.05551	1.3
214.02693	2.1
226.02753	6.1
229.04988	1.0
235.00237	0.5
241.01387	1.2
241.05061	1.6
242.02222	19.0
243.02490	1.6
245.00975	2.4
254.02249	9.1
255.02693	0.9
257.04575	9.0
269.04590	7.9
270.01761	17.1
270.04535	0.7
271.02191	0.9
285.04114	11.2
286.04416	0.7
298.01389	3.3
313.03610	100.0
314.03918	9.3
319.20328	0.5
328.05960	73.7
329.06345	7.3
343.08313	47.0
343.11566	0.6
344.08591	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	341.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.4
59.01268	2.3
67.01751	0.4
69.03340	1.7
70.54829	1.0
71.01280	1.0
75.69839	0.3
83.04929	1.4
84.02081	2.3
85.02828	0.3
89.02346	0.9
95.04918	0.4
97.02876	0.7
97.06499	10.4
98.06828	0.3
99.04422	0.7
101.02362	0.3
111.08083	0.5
113.02374	0.6
117.69092	0.3
119.03401	0.4
121.10159	0.3
122.88582	0.3
125.09630	1.4
137.09633	1.3
149.13295	0.4
151.11230	0.6
153.09171	0.4
163.11195	0.6
165.12836	0.8
171.10231	7.9
172.10674	0.5
175.11252	1.0
177.12842	0.5
179.05612	0.4
185.11780	0.6
193.12326	13.8
194.12727	0.9
197.15497	0.6
201.11171	0.3
203.10799	0.5
209.11887	0.7
211.13399	2.8
221.11855	1.0
225.14973	19.0
226.15367	1.4
243.16049	8.2
244.16446	0.5
253.14455	1.2
291.19754	1.0
305.21371	0.6
323.22195	0.6
341.23413	100.0
342.23767	12.8
342.28033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.7
58.00490	0.3
59.01258	2.1
69.03348	2.7
71.01288	0.9
71.29542	0.5
83.04916	1.5
84.02068	1.6
85.02839	0.4
89.02348	1.0
91.62505	0.3
95.04903	0.8
97.02841	0.5
97.06495	11.5
98.06856	0.5
99.04412	0.6
101.02344	0.6
119.03429	0.5
122.12777	0.4
123.08097	0.4
125.09655	2.2
137.09677	1.5
149.09619	0.3
149.13309	0.8
151.07576	0.5
151.11243	0.8
153.09145	0.4
163.11198	0.3
165.12740	0.7
169.08635	0.3
171.10242	8.5
172.10526	0.7
175.11292	0.8
177.12819	0.5
179.05553	0.6
181.15932	0.3
185.11865	0.8
193.12323	17.8
194.12663	1.5
197.15416	0.6
207.13812	0.3
211.13373	3.0
221.11877	1.2
225.14987	24.3
226.15350	1.6
243.16069	8.4
244.16373	0.6
253.14388	1.4
273.19040	0.4
291.19708	0.7
305.21414	0.7
323.18564	0.6
323.22330	0.6
341.23410	100.0
342.23752	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	342.084
Annotation	SCHEMBL912900
Peak:m/z	Relative Intensity
53.36959	1.1
55.36659	1.0
59.01270	5.7
70.98131	2.9
71.01266	3.9
73.62569	1.0
79.55832	1.1
83.01307	1.4
85.02826	1.7
89.02364	2.8
90.03401	4.9
95.01280	1.7
97.02887	1.3
99.00793	1.0
101.02335	2.3
103.12125	1.0
108.02090	1.6
109.02862	19.1
111.00808	1.1
113.02391	1.2
118.02942	2.9
121.15168	1.1
123.00833	2.3
124.01604	6.6
125.02361	3.9
125.34242	1.0
134.02408	16.7
135.00812	2.8
137.02379	3.7
152.01076	3.3
153.01910	9.5
161.01114	2.3
162.01927	100.0
163.02286	5.9
164.03511	3.1
179.02216	11.3
180.02988	10.4
342.08386	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	342.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39083	0.7
59.01271	6.6
59.79479	0.7
60.14061	0.7
64.01809	1.1
65.99737	1.4
68.99709	0.8
71.01260	5.6
80.02608	0.7
83.01285	1.5
84.10156	0.7
85.02879	0.9
88.68913	0.7
89.02338	2.8
90.03382	4.1
92.01279	1.0
93.27033	0.8
95.01279	2.2
99.00812	0.8
101.02353	1.7
108.02088	1.9
109.02864	15.8
113.02343	1.7
114.34317	0.8
118.02914	3.3
119.03405	1.0
121.02892	1.7
123.00827	3.0
124.01572	6.3
125.02375	5.3
130.98164	0.7
133.01637	1.5
134.02422	14.2
135.00778	2.1
136.03966	1.0
137.02388	2.0
146.02444	1.8
148.03990	1.0
151.03909	1.2
152.01080	1.6
153.01865	8.0
161.01114	2.4
162.01918	100.0
163.02231	5.8
164.03474	2.5
176.03497	1.1
179.02216	12.5
180.02977	11.5
181.05110	1.1
204.03008	1.8
222.04048	1.3
297.06149	1.2
342.08334	8.2
342.12000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25959	2.0
50.86032	2.2
57.03333	5.7
58.00481	3.9
59.01263	22.1
70.87436	4.6
71.01282	16.5
72.02058	2.5
73.02827	13.1
75.98628	2.1
81.23388	2.5
83.04902	4.9
84.02042	3.1
85.02847	9.9
89.02335	11.2
95.04935	31.6
97.06493	6.3
99.00768	5.3
99.08067	5.0
100.01551	11.8
101.02347	7.4
103.22226	2.3
106.04192	2.6
107.04935	6.9
107.16978	3.0
109.06538	3.0
111.08059	6.4
113.06001	5.4
113.09642	15.3
115.07581	15.0
119.03435	3.2
121.02840	2.9
123.08047	5.5
125.05984	3.6
125.09618	9.1
127.07572	23.2
139.07570	19.7
139.47563	2.3
141.09135	8.3
149.09636	2.3
151.07596	6.0
151.11221	22.5
153.12837	2.8
155.10677	4.4
163.11301	5.2
167.10783	4.9
169.08676	29.5
169.12294	7.5
170.09247	2.4
171.08755	5.0
171.10223	100.0
172.10583	3.7
179.05582	3.7
181.12274	4.7
185.11829	18.2
192.96983	2.6
195.10291	3.6
197.11812	4.7
199.13371	7.7
201.11305	7.9
207.10269	20.6
209.11891	12.6
213.11255	12.8
215.12810	3.0
225.11301	21.1
227.12894	24.4
279.19775	12.5
287.16547	3.1
305.17645	11.7
323.18710	10.1
341.10986	7.5
341.19650	4.4
341.23395	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	341.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36692	0.9
59.01259	3.5
61.35728	1.2
62.94764	0.9
63.56873	1.0
69.03333	1.2
70.45906	4.1
71.01264	2.4
72.02036	1.1
81.03339	1.2
83.04911	2.1
84.02069	9.9
89.02340	1.5
90.10390	1.2
95.04900	2.1
97.02857	3.7
97.06483	7.4
99.04417	2.2
102.19913	1.2
107.04937	1.7
110.99953	1.1
119.08592	1.6
122.39568	1.1
123.08118	1.3
125.06003	2.1
125.09640	4.7
127.11179	1.2
135.08051	2.3
137.09695	1.4
141.09116	1.3
151.11264	1.4
153.09171	3.0
163.11311	1.9
169.08659	1.8
171.10229	32.5
177.62195	1.1
183.13867	3.7
185.11789	2.2
193.12312	9.4
197.11806	1.5
199.09755	4.5
207.10252	2.9
209.11832	19.8
210.99594	1.1
211.13429	4.3
225.11382	2.3
225.14989	10.7
243.15900	5.2
254.11746	1.5
261.18613	1.3
277.95996	1.1
287.16534	1.6
291.19815	1.5
305.17712	3.1
341.23410	100.0
342.23694	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	5.4
58.00480	2.8
59.01268	23.9
71.01272	21.2
71.04903	2.6
71.10608	3.6
72.02068	2.8
73.02829	14.0
80.02552	2.5
81.03323	1.7
83.04919	2.0
84.02068	4.5
85.02832	7.4
85.06508	2.1
89.02341	13.5
95.04930	35.3
97.02879	2.0
97.06515	6.2
99.08034	2.9
100.01579	9.0
101.02348	4.5
107.04948	4.9
109.06522	5.0
111.08066	2.4
111.26937	1.4
113.02372	3.0
113.05994	6.4
113.09633	20.4
115.07578	17.9
119.03450	4.5
121.02879	1.9
123.08083	5.2
125.02383	1.8
125.06046	3.4
125.09650	4.8
127.07580	25.2
127.11226	4.2
131.82198	1.6
134.96008	1.5
139.07590	13.9
141.09154	9.1
149.09663	4.5
151.07599	10.1
151.11226	17.7
153.09184	2.5
154.06308	3.1
163.11237	8.1
167.10773	2.3
169.08665	38.0
169.12218	8.5
170.09019	2.0
171.10228	100.0
172.10625	3.6
179.05585	4.1
181.12344	3.6
185.11810	15.9
189.09178	2.2
195.10236	5.9
197.11824	6.8
199.13419	7.0
201.11432	4.0
207.10265	19.8
209.11896	12.1
213.11342	9.3
215.12859	3.5
225.11320	24.1
227.12918	25.8
235.20639	2.2
243.12431	3.6
251.12990	1.7
261.18729	3.6
265.14401	1.8
273.46368	1.5
277.18170	1.9
279.19708	13.1
280.20166	2.1
287.16675	5.0
297.20892	2.5
305.17624	18.0
323.18686	18.3
341.10977	7.9
341.15967	1.8
341.19705	11.1
341.23404	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	341.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75978	2.9
57.03336	6.3
58.00475	6.6
59.01267	100.0
59.98428	6.6
61.58533	2.9
67.81530	2.3
71.01270	79.1
71.59173	4.8
72.99194	4.6
73.49217	2.6
76.98693	4.4
83.01266	4.5
83.04919	3.8
84.02097	3.9
85.02843	13.6
87.00784	4.7
89.02341	96.7
90.02718	3.3
95.01299	3.5
96.95895	3.0
97.02847	4.4
97.06490	9.3
101.02352	44.5
107.08562	3.2
113.02358	36.1
119.03419	38.1
125.09644	11.5
127.33563	3.0
131.03445	4.3
135.08060	4.9
137.09596	2.7
143.03410	8.5
146.68559	3.0
149.73349	2.6
151.07600	6.7
161.04543	13.6
165.12888	3.4
166.51033	2.5
169.08635	4.4
171.10237	42.5
178.71677	2.8
179.05586	43.5
185.11812	17.1
193.12280	5.7
197.11827	7.3
201.11333	3.5
209.11775	3.7
211.13394	3.6
225.14970	10.1
235.13536	2.5
237.14975	14.4
243.15900	4.6
261.18674	7.3
263.20248	30.8
279.19720	50.8
280.20020	6.1
281.12543	5.6
287.16342	4.1
305.17508	3.9
331.68396	2.7
341.10901	48.9
341.19415	4.4
341.23425	58.9
342.11060	4.1
342.23669	6.2
342.93192	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	341.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81563	1.7
57.03330	7.5
58.00484	3.7
59.01267	36.0
70.87301	2.2
70.87658	5.9
71.01273	26.4
71.04906	3.3
72.02045	3.5
73.02837	10.6
80.02560	2.1
84.02061	4.2
85.02842	10.1
87.00779	2.3
89.02348	23.5
91.02670	1.8
93.03415	2.3
95.04939	30.1
95.07190	1.9
97.06495	10.2
99.00784	4.5
99.08073	5.4
100.01555	12.0
101.02344	10.8
107.04918	4.6
108.02114	2.0
108.37616	2.0
109.06509	6.2
111.08061	4.7
113.02374	8.6
113.05984	4.0
113.09636	16.9
115.07584	18.1
118.39869	2.2
119.03414	8.9
120.86312	2.5
121.02842	2.0
123.08047	3.7
125.06001	4.1
125.09647	9.5
127.07574	30.6
127.11191	6.5
131.03430	2.8
135.28166	2.3
139.07602	17.2
139.11130	2.4
141.09138	8.9
143.03413	2.4
149.09671	2.7
151.07588	9.0
151.11218	19.3
153.09134	3.4
155.10721	5.0
163.11234	9.7
165.12828	2.7
167.10739	18.8
169.08664	30.1
169.12299	8.8
171.10234	100.0
172.10519	2.8
179.05579	13.2
185.11786	22.2
185.15437	6.5
195.10248	4.3
197.11742	5.0
199.13448	6.2
201.11362	4.1
206.45163	1.9
207.10263	19.6
208.10715	2.2
209.11905	10.6
213.11351	19.6
215.12862	5.2
225.11363	25.0
226.11719	2.4
227.12888	23.9
235.20651	2.7
243.12418	3.5
279.19730	14.7
287.16669	3.5
300.23120	2.2
305.17664	13.5
323.18701	9.7
325.59430	2.1
341.10999	18.1
341.19812	8.6
341.23370	3.4
341.26910	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03332	1.9
57.03332	4.4
58.00475	4.5
59.01268	91.0
59.19244	2.1
60.01604	2.2
70.24984	5.4
70.25390	4.5
71.01273	100.0
72.99187	5.0
73.02841	6.4
77.96715	2.1
78.95815	2.3
81.03350	6.4
83.01286	2.4
83.04923	6.9
84.02088	3.2
85.02838	10.0
89.02341	53.5
95.01318	2.8
95.04962	2.5
97.02850	11.1
97.06483	14.0
101.02367	22.7
109.06502	60.5
109.07262	3.1
110.03648	2.3
113.02338	17.1
119.03426	19.2
121.06512	7.1
123.04478	3.1
125.09637	4.0
131.03413	3.8
135.08084	7.9
136.05243	3.3
137.09631	2.4
142.02655	6.9
143.03410	5.7
149.04425	2.3
161.04555	5.0
163.11235	25.2
164.11615	3.9
171.10214	8.4
179.05586	23.5
181.12326	11.1
185.11818	3.6
197.11732	2.7
198.12999	2.1
199.09756	9.3
200.79555	2.4
207.10275	60.2
208.10606	5.6
209.11835	5.7
225.11279	12.8
225.14888	3.0
273.33859	1.9
291.19724	4.6
305.21051	2.3
309.20767	2.7
341.10986	30.9
341.19781	2.9
341.23438	21.8
342.11356	2.2
342.23782	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	4.1
58.00471	4.4
59.01268	90.3
59.98404	6.3
60.01583	2.8
61.98734	1.5
66.30731	1.5
69.03342	3.7
69.39809	11.7
71.01275	69.6
72.99203	4.3
73.02841	3.5
76.98682	2.8
83.01276	4.2
84.02074	1.8
85.02834	10.1
87.00767	4.8
89.02343	100.0
90.02672	1.9
91.97561	1.5
95.01302	3.4
97.06493	6.5
98.20611	3.3
101.02351	42.1
107.08557	4.6
113.02361	32.4
115.07507	2.0
119.03432	42.7
123.08084	3.3
125.09634	7.7
129.37636	1.7
131.03432	5.6
135.08083	4.4
137.09648	1.8
141.09106	2.2
141.12715	2.0
143.03445	11.4
149.04509	5.0
151.00435	1.8
151.07611	4.7
161.04544	13.3
163.11108	1.7
163.73511	1.6
168.97827	1.5
171.10252	28.9
179.05580	50.5
179.07155	2.7
185.11841	12.7
193.12227	2.8
197.11790	4.8
209.11841	3.3
211.13397	2.5
214.55177	1.9
223.13457	2.4
225.14987	4.9
235.20549	2.8
237.15002	10.8
243.15990	3.9
261.18637	9.4
263.20221	30.2
264.20587	3.5
279.19730	47.0
280.20041	5.1
281.12418	3.0
287.16614	1.6
297.21030	2.2
341.10944	69.4
341.19644	3.2
341.23425	39.4
342.11359	5.4
342.23724	4.2
352.21075	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	1.5
59.01267	29.2
61.68813	0.8
63.21927	0.8
69.24579	9.6
70.95324	0.7
71.00890	1.6
71.01274	22.2
72.99204	1.0
79.17775	0.7
84.02097	1.1
85.02832	3.1
87.00788	1.0
89.02334	24.0
95.01296	0.9
97.02843	1.6
97.06498	2.0
99.00701	1.1
99.08057	11.4
101.02359	9.7
102.39915	0.8
103.11329	0.8
109.06483	3.8
113.02362	7.7
119.03435	6.9
127.07603	1.5
131.03452	0.9
131.04451	1.0
142.02571	1.1
143.03406	3.0
145.08644	60.9
146.08961	1.5
151.11238	14.4
161.04512	3.2
163.11166	2.7
169.12302	91.6
170.12605	4.3
171.10197	2.5
179.05583	9.9
179.07019	1.4
179.10742	1.1
199.00648	1.4
199.09737	1.3
207.10229	4.0
211.79337	0.8
213.11324	100.0
214.11723	6.3
223.13275	0.8
225.14917	0.9
244.98952	0.8
341.10971	15.6
341.19620	15.3
341.23502	4.3
342.11285	1.3
342.20023	1.4
361.45096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1249
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
50.49901	0.3
58.00502	0.6
59.01265	7.5
68.17423	0.3
69.22994	3.7
70.11113	0.3
71.01270	5.6
71.53841	0.3
72.99199	0.6
74.72810	0.3
75.37563	0.3
85.02840	1.1
87.00776	0.4
89.02341	5.9
89.02836	0.7
96.32435	0.4
97.76207	0.4
101.02339	3.2
101.74837	0.3
104.90414	0.4
109.02874	1.2
113.02365	1.8
119.03420	2.0
119.04864	0.4
123.04434	1.2
133.02855	0.4
135.04433	1.9
137.02422	0.7
143.03442	0.8
147.04605	0.4
161.02390	1.1
161.04471	0.8
163.03961	1.6
164.04741	100.0
165.05084	4.8
177.01927	1.3
177.05527	0.8
179.03593	1.9
179.05740	3.5
179.07098	82.8
180.07455	5.5
189.01892	3.5
190.02663	1.2
191.03462	0.4
203.03497	0.4
216.00706	0.4
217.01463	1.2
219.02979	0.6
231.03000	0.4
251.05585	0.8
281.06827	0.5
341.06598	3.9
341.11053	4.1
342.06915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00997	0.4
59.01268	6.3
70.96006	0.5
71.01273	4.4
72.99185	0.3
73.02843	0.3
77.27361	0.2
85.02830	0.8
87.00745	0.2
89.02341	5.0
91.05419	1.0
95.01270	0.5
96.95921	0.3
101.02356	2.3
108.74212	0.2
113.02348	1.8
117.03375	0.3
119.03458	1.5
119.04938	0.4
121.02837	0.3
131.03409	0.4
132.02116	0.6
133.02853	0.3
135.04489	1.7
137.02414	0.4
143.03406	0.4
145.02884	3.0
146.03635	0.4
147.04434	0.4
149.06079	0.3
160.01575	0.7
161.02364	0.9
161.04509	0.8
169.06577	0.3
177.05487	0.4
179.03471	2.8
179.05592	2.7
180.05817	0.5
181.08669	0.5
194.07370	0.4
196.05243	1.1
196.09003	0.3
197.06070	0.5
197.09615	0.6
199.07455	0.3
207.08121	0.6
208.05283	0.5
209.06042	0.7
209.09657	0.5
210.06816	1.1
211.03949	0.4
211.07516	0.5
221.04362	0.4
221.06226	0.4
222.06845	1.5
223.07677	0.7
224.04800	6.2
224.08241	1.2
225.05246	0.5
225.09155	1.2
227.10817	1.8
235.07686	0.7
236.08403	0.6
237.05621	0.9
237.09210	0.5
238.06375	8.0
238.09927	0.5
239.07100	1.1
239.10838	2.9
241.08740	3.6
242.09369	1.0
243.10252	0.3
245.08356	0.4
246.08971	0.7
249.05579	0.3
250.06407	0.6
251.05128	0.4
251.07169	1.1
252.04332	1.6
252.07874	1.0
253.04922	0.5
253.08705	1.8
254.09474	2.5
255.10309	11.0
256.10599	1.0
257.08173	0.3
257.11646	0.3
262.06433	0.4
263.07104	0.4
264.07898	0.3
265.05145	0.6
265.08740	0.9
266.05908	6.1
266.08908	0.4
267.06506	0.8
267.10306	1.7
268.10672	0.3
269.08850	0.3
269.11896	4.5
270.05692	1.6
270.09076	1.6
270.12619	3.7
278.09531	0.3
280.07556	0.8
281.04312	0.4
281.08112	0.7
281.11823	0.4
282.09006	1.9
283.09833	50.6
284.07190	0.4
284.10184	5.3
293.08252	0.3
294.09116	1.9
295.06519	0.3
295.09821	6.2
296.10596	4.1
297.11356	3.1
298.05148	0.5
298.08502	1.2
298.12152	4.5
299.12540	0.6
302.08307	0.3
309.07956	0.4
309.11368	2.3
310.08511	1.7
310.12134	3.3
311.09341	100.0
312.09714	10.1
312.13129	0.5
313.10861	0.5
323.08932	0.2
325.10889	15.1
326.11658	65.5
327.08215	0.4
327.12033	7.1
330.11273	0.4
341.10498	9.1
341.14044	98.5
342.10855	1.1
342.14383	11.5
355.55902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.11
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.78258	2.8
57.03337	5.1
59.00992	4.2
59.01265	58.3
61.77048	2.7
64.80331	2.6
71.01271	70.3
71.53797	3.1
72.99191	4.2
75.25362	2.2
83.01295	3.0
85.00018	2.4
85.02845	42.0
87.00768	5.8
89.02346	43.7
95.01292	18.7
96.95940	3.5
101.02355	20.6
109.02868	4.3
113.02363	100.0
113.03170	5.0
114.66782	2.4
119.03396	15.2
133.02913	14.7
135.04456	51.7
143.03441	6.7
149.17953	2.5
153.01839	3.0
161.02386	53.8
161.04471	16.7
179.03458	45.6
179.05507	16.8
266.20419	2.7
281.06729	4.7
341.08344	9.3
341.11044	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1096
Annotation	Sucrose
Peak:m/z	Relative Intensity
58.00472	2.6
59.01265	77.9
60.01578	1.2
60.28870	0.9
66.01648	0.8
69.30412	4.7
69.30836	4.0
70.87859	0.8
71.01271	62.8
72.01621	1.4
72.99195	3.0
73.02841	2.2
74.84675	0.8
75.82938	0.9
85.02845	8.8
87.00760	4.6
89.02338	100.0
90.02670	1.8
95.01297	3.4
95.25077	0.8
98.19840	1.8
98.20486	1.6
101.02351	37.3
102.02687	1.0
113.02363	32.3
114.02689	1.1
119.03421	39.7
125.02330	1.6
131.03448	5.7
143.03458	10.6
149.04485	4.5
161.02415	1.0
161.04510	13.0
162.01923	1.2
179.05579	46.6
180.05919	1.9
341.10959	74.5
342.11270	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	341.125
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03339	30.3
58.03653	0.6
59.01264	4.8
69.60333	1.3
69.60762	0.9
71.01270	3.8
71.51331	0.3
85.02855	0.4
89.02344	3.9
93.03358	1.2
95.01276	0.3
96.95924	0.4
101.02343	1.9
102.86253	0.3
109.02868	3.3
113.02381	1.4
119.03419	1.4
121.02872	26.7
122.03199	1.0
133.02850	0.4
135.04498	0.8
143.03439	0.4
151.00342	0.4
161.02374	0.8
161.04550	0.7
178.06310	0.5
179.07097	100.0
180.07448	5.2
225.75206	0.3
226.40460	0.3
230.21738	0.3
260.61884	0.3
318.86734	0.3
341.12329	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	341.0921
Annotation	Caulersin
Peak:m/z	Relative Intensity
58.00502	0.5
59.01268	17.1
60.24504	0.4
62.21469	0.4
71.01272	12.5
71.43961	0.6
71.57967	0.4
72.99196	1.4
73.02838	0.8
75.00770	0.5
78.95808	1.6
79.95616	2.6
80.96415	2.2
83.01302	0.7
85.02846	2.5
87.00784	1.3
89.02339	12.4
95.01299	0.6
95.95136	1.7
96.95918	80.2
96.96800	3.5
97.65820	0.4
101.02353	5.9
109.02847	0.5
113.02362	5.0
119.03423	3.7
122.97514	1.1
125.02361	0.4
131.03426	0.7
138.96980	1.2
143.03426	1.2
149.02431	0.5
149.04535	0.6
150.96992	1.6
161.02399	0.4
161.04468	1.2
163.03975	0.5
164.04761	0.7
179.03644	0.7
179.05557	5.0
179.07011	0.7
209.11678	0.6
222.78218	0.4
223.06082	0.6
225.00801	0.5
241.00253	3.0
253.01459	0.6
313.03534	0.8
335.17181	0.4
341.09140	100.0
342.09412	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	339.2548
Annotation	11-deoxy-PGF1beta
Peak:m/z	Relative Intensity
54.22119	0.9
57.03313	1.5
59.01266	7.3
71.01245	1.0
71.55544	1.2
71.55904	1.0
77.24509	1.2
84.46705	0.9
97.06516	1.0
101.02325	1.3
115.07525	1.2
163.11246	3.6
180.35391	0.9
195.17546	3.3
211.13393	1.3
211.17104	3.1
223.17052	10.4
277.25504	1.4
290.45181	1.0
295.26611	1.5
321.24420	7.5
339.25494	100.0
340.25867	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	341.0888
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
57.03316	0.8
59.01268	29.3
60.59365	0.8
61.98725	0.9
70.49780	2.8
71.00892	1.6
71.01276	21.9
72.99184	1.0
73.02821	3.6
81.76205	0.6
83.01276	1.7
85.02857	3.5
87.00780	0.9
89.02341	15.5
89.02840	1.4
95.01315	1.6
96.41115	0.8
101.02346	8.3
107.04945	1.4
109.02885	2.3
113.02351	5.1
117.03417	0.8
119.03419	4.2
121.02914	0.9
132.02071	1.5
133.02895	18.1
134.03705	5.1
135.04457	96.6
136.04800	3.9
137.02383	3.5
143.03455	1.0
148.05215	2.7
149.06035	15.4
150.06406	0.9
151.03998	0.9
157.20825	0.8
160.01590	1.1
161.02399	63.6
161.04567	2.4
162.02734	2.5
177.05536	26.6
178.02666	1.0
179.03471	100.0
179.05450	3.2
180.03809	5.4
189.01939	1.1
203.03517	2.2
211.03986	1.0
221.04575	36.1
222.04881	2.6
233.04619	1.3
239.09294	0.9
242.09331	0.9
246.09023	1.9
251.05656	58.1
252.06026	3.7
270.09024	1.3
281.06769	51.5
282.07028	3.6
283.09723	1.5
298.08676	1.5
311.09302	1.7
313.10855	1.2
323.08109	0.9
326.07986	1.7
326.11508	1.6
341.10666	12.6
341.14484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2186
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
55.48986	3.7
57.03344	5.3
59.01262	46.0
71.01257	7.5
80.02555	3.9
81.03338	4.7
95.04867	7.8
97.02881	4.2
98.20609	6.5
101.02338	5.8
115.07510	4.3
125.09606	14.1
127.11183	4.4
135.08076	5.2
137.09647	7.4
151.11205	4.9
155.10664	9.3
163.11237	17.3
165.12778	5.5
167.10730	21.3
169.16040	4.1
181.08594	5.0
183.13799	4.6
185.11798	5.7
191.10715	16.9
191.14404	9.1
195.10277	4.8
197.11868	8.3
209.15468	10.0
223.13403	5.3
229.12079	4.5
245.19136	62.5
246.19485	7.9
263.20255	7.5
270.58258	4.2
279.14301	5.4
289.18146	76.1
290.18655	8.8
307.19238	51.4
308.19580	5.8
321.20840	34.7
324.19476	55.7
339.21924	100.0
339.25476	14.9
340.22131	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	339.2337
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
70.44923	1.0
70.45304	1.0
105.98939	0.5
130.75073	0.4
163.11240	100.0
164.11577	5.8
339.23367	45.1
340.23627	6.1
352.13394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2548
Annotation	ent-13E-Labdene-2alpha,3alpha,8alpha,15-tetrol
Peak:m/z	Relative Intensity
51.99942	0.6
57.03326	1.2
59.01264	6.5
59.08906	0.6
65.12691	0.6
69.75678	4.1
71.01270	1.3
72.13547	0.7
88.34872	0.7
98.19839	0.6
99.08047	4.3
111.08067	0.9
113.09631	3.9
129.09145	7.8
134.83897	0.6
163.11314	1.2
179.14357	1.4
181.15910	1.8
191.14339	0.9
195.13834	0.8
197.15474	3.4
198.15814	0.7
207.13924	1.2
209.15440	6.0
211.17049	2.3
221.15433	3.0
225.14984	17.2
226.15300	1.0
227.16548	5.4
239.16544	25.2
240.16887	1.9
303.23389	2.1
307.19278	1.1
321.24362	15.5
322.24744	2.2
339.25485	100.0
340.25830	13.6
340.29688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.01251	1.0
69.03352	0.3
70.13120	0.3
71.20546	0.7
72.99198	3.9
80.51658	0.3
97.06497	4.1
114.54325	0.2
118.30139	0.3
125.06010	18.5
126.06341	0.8
143.07080	73.7
144.07434	2.6
151.11229	14.3
152.11562	0.7
167.10690	0.3
168.14256	0.3
169.12300	100.0
170.12643	6.3
172.54686	0.3
179.92270	0.3
195.10257	0.6
213.11320	90.3
214.11664	6.6
289.18158	0.5
321.20752	0.4
339.18228	15.8
339.21643	0.6
340.18405	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	11.1
68.29243	0.7
69.73157	4.9
73.02840	100.0
74.03175	1.8
90.09515	0.8
97.45358	0.8
103.02073	0.8
117.05537	0.9
143.07155	0.8
163.11176	0.8
177.16452	1.1
182.25984	0.8
183.01146	3.7
187.09689	1.1
203.57837	0.8
206.43721	0.8
221.15485	64.1
222.15793	5.1
237.14931	1.1
265.14468	5.5
307.19113	1.4
321.20792	2.5
339.16229	6.5
339.21774	3.1
340.16006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.9
59.01275	7.4
71.01260	1.3
96.23580	0.6
98.20563	2.2
125.09673	2.1
133.42924	0.6
135.81851	0.7
137.53362	0.7
163.11230	2.8
165.12766	4.3
177.01825	0.7
179.67438	0.8
181.12263	1.3
183.01189	1.0
191.14339	1.3
198.05615	0.8
209.11794	1.1
229.46907	0.9
247.20691	1.9
270.13071	1.2
273.18665	2.5
291.19727	100.0
292.20105	10.6
293.21301	11.1
294.21378	1.0
324.17694	2.5
339.20029	20.5
339.23651	1.2
340.20227	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	339.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18569	1.4
57.03334	3.8
59.01270	14.3
71.21468	1.9
83.04942	1.8
108.02109	1.6
111.99761	1.6
125.09654	3.0
163.11232	8.4
165.12827	4.1
167.05392	2.0
183.01167	2.1
195.08484	21.4
196.08849	2.3
229.24031	2.3
291.19754	100.0
292.20050	10.4
293.21332	56.3
294.21695	4.7
305.21335	8.0
324.17685	21.5
339.20074	67.4
340.20367	12.6
362.12524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47676	2.3
57.03339	7.9
59.01270	33.1
59.27638	2.3
66.90758	2.6
70.61402	8.2
71.01268	12.5
71.04897	2.6
83.04904	5.0
95.04927	3.7
97.06482	19.6
109.02859	2.4
109.06434	2.5
111.08070	10.1
117.76995	2.6
123.04408	5.1
125.09650	7.7
137.06096	3.0
137.09679	4.9
143.07095	3.3
146.02362	2.8
149.09674	2.6
151.11214	19.3
153.12741	5.1
155.10675	6.0
161.04526	2.6
163.11269	15.5
164.22281	2.8
165.12793	29.8
177.12808	3.3
179.10736	13.4
181.12323	33.9
183.01166	3.0
185.11836	13.2
191.10779	17.4
191.14415	7.4
201.82703	2.4
205.12390	3.1
207.10291	4.3
209.11818	100.0
210.12233	5.7
211.13263	5.6
213.14978	3.3
225.11304	3.5
227.12888	4.7
239.09161	3.5
239.12848	3.3
241.14293	2.8
245.19171	20.0
257.21280	3.9
263.20206	6.6
279.19684	5.2
289.18207	48.0
290.18585	4.9
307.19235	83.9
308.19562	7.9
339.16525	2.8
339.21829	19.8
340.22382	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2185
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
54.36812	1.1
57.03353	2.1
59.01273	8.1
69.03341	1.3
69.25778	11.4
71.01286	1.5
71.04922	1.7
75.66303	1.0
80.02573	2.2
81.03371	3.3
83.30978	0.9
95.01302	1.0
95.04942	3.5
97.02857	3.7
97.06502	1.6
106.04204	1.1
107.04926	0.9
109.06514	1.9
110.03632	1.1
111.08093	2.3
113.06025	1.6
119.04919	0.9
119.08571	1.0
123.04450	6.3
123.08105	2.8
125.09624	8.9
127.07578	1.5
135.08089	2.3
137.09668	6.6
139.07600	3.8
149.06041	2.7
155.10674	1.6
162.10400	1.9
163.07629	1.7
163.11273	8.5
165.09198	1.7
165.12889	2.4
166.09987	1.2
177.12863	1.3
179.10669	1.9
181.12253	2.2
185.11826	11.8
186.12111	1.1
191.10851	2.4
191.14386	13.8
197.11801	1.0
207.10265	7.1
209.11746	1.1
225.11380	5.7
226.11989	1.2
241.14485	3.3
245.19151	32.7
246.19452	3.4
247.17052	1.3
261.12943	1.0
265.46115	1.0
271.17059	3.1
289.18176	100.0
290.18561	12.1
307.19223	30.7
308.19528	4.3
321.20749	7.4
324.19510	4.0
337.92651	1.1
339.21841	81.4
340.22168	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	339.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47676	2.3
57.03339	7.9
59.01270	33.1
59.27638	2.3
66.90758	2.6
70.61402	8.2
71.01268	12.5
71.04897	2.6
83.04904	5.0
95.04927	3.7
97.06482	19.6
109.02859	2.4
109.06434	2.5
111.08070	10.1
117.76995	2.6
123.04408	5.1
125.09650	7.7
137.06096	3.0
137.09679	4.9
143.07095	3.3
146.02362	2.8
149.09674	2.6
151.11214	19.3
153.12741	5.1
155.10675	6.0
161.04526	2.6
163.11269	15.5
164.22281	2.8
165.12793	29.8
177.12808	3.3
179.10736	13.4
181.12323	33.9
183.01166	3.0
185.11836	13.2
191.10779	17.4
191.14415	7.4
201.82703	2.4
205.12390	3.1
207.10291	4.3
209.11818	100.0
210.12233	5.7
211.13263	5.6
213.14978	3.3
225.11304	3.5
227.12888	4.7
239.09161	3.5
239.12848	3.3
241.14293	2.8
245.19171	20.0
257.21280	3.9
263.20206	6.6
279.19684	5.2
289.18207	48.0
290.18585	4.9
307.19235	83.9
308.19562	7.9
339.16525	2.8
339.21829	19.8
340.22382	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	338.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48611	2.3
54.57517	2.3
55.33496	2.1
56.28464	2.2
59.01268	23.3
71.53424	4.5
104.85992	2.3
125.31592	2.5
137.27734	2.3
148.14693	2.5
183.13911	3.4
186.29909	2.5
194.70764	2.7
195.13876	8.9
267.23401	2.5
293.21313	6.6
294.21500	6.3
311.22363	100.0
312.22824	11.5
312.42001	2.3
338.10718	4.8
338.15109	2.9
338.20334	3.3
338.24280	7.3
339.21667	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	339.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20375	0.7
55.01773	1.0
55.62776	0.7
57.03369	0.8
59.01268	100.0
60.01608	1.0
69.42609	0.8
71.01274	13.4
71.52043	0.7
73.02832	5.3
83.01284	1.2
85.02860	6.1
87.00765	1.5
89.02347	1.4
93.03391	1.5
95.01299	1.3
96.95943	0.9
99.00793	2.3
101.02357	15.1
113.02362	5.1
119.03396	0.9
123.77683	0.8
128.03467	1.1
136.04018	0.9
158.89832	0.8
159.02968	2.3
161.04510	12.7
168.35522	0.7
173.04543	2.6
175.05090	0.8
177.01949	2.6
191.05542	1.2
192.06006	1.0
193.06140	2.4
196.44003	0.8
217.14845	0.7
218.94412	0.8
235.29396	1.1
279.14551	30.8
280.14972	2.2
306.91922	0.9
339.07172	1.4
339.11047	0.9
349.25082	0.7
359.37704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08022	1.9
57.03339	5.2
58.24569	1.8
59.01263	28.9
61.98738	2.8
68.96650	1.9
69.03340	3.2
71.01275	5.5
71.04916	1.8
72.99186	2.3
73.02850	4.0
81.03355	3.8
82.61196	1.7
83.04926	3.2
84.02046	2.1
85.02829	2.1
95.04945	5.7
97.02868	3.4
97.06512	8.2
98.20565	4.4
99.04414	3.2
101.02371	2.7
101.35661	1.9
109.02878	2.9
109.06454	4.5
113.06016	7.2
115.07583	3.1
121.02951	2.6
123.08084	5.2
125.05891	2.1
125.09653	40.4
127.07610	10.6
135.08125	2.6
137.06035	3.8
151.07599	2.5
167.10736	100.0
168.11052	5.3
171.10226	10.3
178.06259	3.3
185.11804	11.2
187.09726	3.1
201.11320	2.6
207.10330	5.8
209.11858	2.4
211.09805	3.0
223.09821	14.6
225.11351	10.5
235.13231	2.9
241.10800	5.9
243.12483	6.2
253.14487	8.8
277.18243	5.5
279.14410	2.4
295.19247	2.6
303.16116	5.3
321.17221	19.1
322.17789	2.3
339.18188	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	339.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22992	0.7
57.03338	0.9
59.01265	7.6
60.77420	0.8
69.48631	5.6
71.01254	0.8
72.99184	3.5
85.02852	0.9
90.74801	0.8
96.31950	0.7
96.48820	0.6
97.06500	6.7
101.02370	1.1
104.77383	0.7
125.06004	29.1
136.51604	0.7
136.64348	0.7
143.07080	100.0
144.07454	3.3
151.11235	18.5
152.11517	1.1
163.11290	1.1
169.12303	92.3
170.12622	6.5
183.01186	1.3
195.10274	1.3
209.11931	1.2
213.11319	74.1
214.11664	5.1
277.17950	0.7
295.22992	1.2
307.19229	1.7
311.17926	0.8
339.18066	10.5
339.21945	5.8
340.18500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2395
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
57.03315	1.3
58.00417	1.1
59.01270	15.9
61.72927	1.3
62.12495	1.2
71.01266	1.1
78.95827	1.4
81.03351	1.1
95.23554	1.0
96.50529	1.1
96.95918	1.4
98.19733	1.9
107.04913	1.6
113.02319	1.4
123.04454	1.5
125.09612	2.7
132.24036	1.1
135.08116	1.6
163.03925	1.3
164.48918	1.2
186.54915	1.3
191.05553	2.4
191.14430	1.4
200.02325	1.2
207.17479	1.6
209.15405	5.6
213.15045	1.2
217.16003	1.9
251.16519	3.2
261.18701	5.7
275.23828	3.7
277.09497	2.8
287.16415	1.7
305.17575	3.9
319.22864	93.8
320.23114	10.2
337.20541	4.2
337.23938	100.0
338.20752	1.4
338.24368	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	337.2394
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
50.96546	1.2
53.64735	1.1
57.03338	1.6
59.01264	16.7
62.43204	1.7
62.81297	1.2
69.90395	5.8
71.01270	1.5
73.78532	1.2
81.22987	1.5
85.02823	1.7
93.06979	1.6
97.02853	3.6
98.20466	2.4
109.06493	1.9
111.08075	29.5
127.07578	3.0
129.39827	1.4
131.28046	1.3
134.47153	1.3
143.28481	1.2
171.10181	1.4
179.14372	2.1
181.15953	2.3
197.15477	8.4
207.13942	3.7
209.15416	2.1
211.13411	2.4
225.14975	100.0
226.15280	6.7
227.12979	1.5
227.16525	4.4
235.45837	1.4
239.16571	12.8
247.20667	1.5
255.16078	4.5
277.09402	2.8
291.19781	13.6
291.23392	8.1
293.21252	4.3
301.21744	2.0
305.17685	1.8
309.20850	11.1
319.19363	2.0
319.22824	24.9
320.23172	3.6
337.20728	2.2
337.23962	57.8
337.28061	2.9
338.24127	6.8
348.63528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2395
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
50.52253	0.9
54.14025	0.8
57.03342	1.3
59.01266	11.6
59.90294	0.9
63.19241	1.1
69.37809	9.0
71.01262	1.2
75.59276	0.8
77.42728	0.9
78.95788	2.3
85.02838	1.2
87.00772	1.0
90.38428	0.9
97.98299	0.9
109.06507	2.0
111.08077	32.3
127.07561	2.2
163.03990	1.3
179.14456	1.3
191.05627	1.9
197.15460	9.1
207.13864	1.9
209.15514	2.6
211.17046	2.3
221.15506	1.3
225.14981	100.0
226.15297	7.1
227.16653	4.8
239.16553	11.2
255.16103	3.3
255.23260	1.2
277.09497	1.1
278.01321	1.0
291.23383	3.6
293.21304	2.6
301.21811	2.2
319.22867	19.9
320.23282	1.6
337.23947	52.3
338.24265	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	337.2395
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
55.75417	0.5
59.01268	5.3
63.48849	0.5
66.90657	0.6
69.20115	0.5
71.01271	1.0
71.62920	0.8
78.95790	0.7
85.02814	0.8
86.70720	0.5
97.06508	1.3
99.06203	0.5
109.02879	0.9
111.08136	0.7
113.09644	0.6
113.26042	0.6
115.07555	2.0
125.05994	1.1
126.06789	0.6
134.87971	0.6
137.02386	2.6
141.09134	0.7
151.03972	0.6
163.03918	0.6
173.04512	0.6
177.12740	0.5
191.05554	1.4
193.15929	1.2
195.17511	2.3
197.11795	1.5
209.15440	3.8
211.17082	1.4
221.15457	2.1
221.19016	0.8
223.17050	2.0
235.85446	0.5
239.16533	3.6
249.18579	1.7
259.20691	0.6
268.16882	1.4
269.17429	0.5
273.22244	0.5
275.23929	2.5
276.24234	0.6
291.23187	1.0
301.21796	2.6
309.21091	0.8
309.24500	1.7
319.22858	38.9
320.23254	4.6
322.21600	8.1
323.22018	0.8
337.23935	100.0
338.24255	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	337.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63438	1.7
53.11166	1.7
57.03329	1.9
59.01267	24.3
61.55123	1.8
69.03363	2.1
69.81631	4.5
69.82064	6.5
71.01270	3.6
72.01557	1.7
78.95796	2.6
84.06726	1.4
85.02831	2.1
93.03409	2.2
95.01306	2.2
95.04964	1.8
96.95916	1.7
98.20557	2.4
99.04441	4.4
104.80285	1.6
109.06546	3.5
111.04476	1.9
111.08080	3.9
113.99625	1.8
121.02897	2.9
123.08074	3.3
133.06497	2.3
136.05266	2.2
149.09642	3.0
151.07654	1.9
151.11314	1.9
153.09174	4.7
167.10655	2.3
177.09180	1.7
179.10696	2.2
189.12865	5.8
192.90779	1.8
203.10616	1.9
215.14600	2.0
223.09737	1.7
224.10675	2.0
225.14931	7.4
239.09283	5.3
243.17595	23.5
261.18661	6.6
277.09317	3.9
287.16550	20.6
288.17166	1.9
291.19724	2.3
305.17667	100.0
306.18079	13.0
309.20697	1.9
319.22736	2.0
337.20389	4.9
337.23898	4.2
337.27634	7.3
341.53299	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	337.203
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03323	3.5
59.01274	11.2
71.44827	2.4
78.09267	1.4
81.03350	4.0
83.01288	1.6
83.04921	6.1
84.02087	1.5
85.02848	1.3
93.03341	3.0
95.01303	1.8
95.04935	5.8
97.02853	4.4
97.06486	5.9
106.04082	1.4
107.04941	43.7
108.02067	1.7
109.06528	4.4
110.03605	1.9
111.04430	3.2
119.04968	4.4
120.05769	2.1
121.02858	2.5
123.00842	1.5
123.04444	16.4
123.08073	6.2
125.02364	4.6
125.06003	16.4
125.09641	22.9
126.09931	1.4
127.07578	1.9
135.04430	1.4
135.08093	22.2
136.08461	1.8
137.06026	10.4
137.09605	1.2
139.11115	1.8
144.93884	1.3
147.04469	4.7
147.11769	1.7
149.06070	1.4
149.09647	1.8
151.07576	1.3
151.11194	2.8
153.09154	30.1
161.06035	2.4
161.09642	2.8
162.06799	1.5
163.04025	1.5
163.11290	6.3
165.09193	2.2
173.09489	1.5
175.07544	3.1
176.08394	8.6
185.11794	18.7
189.12888	2.3
191.10768	19.4
197.11803	6.3
207.10252	6.7
209.11847	3.7
217.12346	6.0
225.11351	2.9
236.10623	1.9
243.17575	32.0
244.18048	2.8
245.15567	1.5
250.12238	2.0
261.18631	5.4
267.12518	5.7
269.15421	2.8
287.16608	38.6
287.19751	2.9
288.16840	3.6
293.21280	5.9
304.16425	1.7
305.17667	34.3
306.18015	3.7
319.19205	100.0
320.19522	9.3
322.17960	15.2
337.20291	51.4
337.23294	2.0
338.20694	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	337.2031
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
57.03334	4.6
59.01266	10.3
60.38201	2.0
65.96111	1.9
67.01788	2.0
69.03332	1.7
71.04898	2.5
71.33154	3.1
72.19992	1.5
79.60480	1.7
81.03337	4.0
83.04907	4.5
84.22990	1.5
93.03315	3.3
95.04943	8.4
97.02858	4.4
97.06493	5.2
97.39319	1.8
99.04424	3.6
107.04945	42.4
109.06481	5.5
110.03650	1.7
111.04428	3.7
119.04948	5.0
123.04433	15.9
123.08036	3.9
125.02356	4.1
125.06005	17.1
125.09660	23.8
127.07538	1.7
128.58734	1.8
135.08086	22.5
137.06006	10.2
137.09738	2.6
147.04495	4.6
151.07607	2.7
151.11253	2.9
153.09157	24.2
161.06013	3.9
163.11206	6.2
164.45811	1.8
165.09109	2.5
175.07635	3.2
176.08382	7.8
178.09929	2.0
179.10638	2.8
185.11803	20.1
189.09209	2.9
189.12798	5.7
191.10771	14.8
197.11816	5.6
207.10258	4.7
209.11824	3.2
217.12321	7.9
236.10593	2.6
239.13045	2.0
239.16571	3.8
243.17548	30.5
244.18015	2.9
259.17188	1.9
261.18634	7.2
267.12387	6.4
269.15463	4.6
277.17984	1.7
287.16620	36.3
288.16940	4.1
293.21155	2.6
305.17651	35.4
305.20911	1.2
306.17813	2.9
319.19250	100.0
319.22745	5.9
320.19604	10.8
322.17947	17.0
323.18100	3.3
337.20255	42.7
338.20697	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03308	0.2
59.01264	2.1
60.99154	0.2
67.01779	0.3
69.03354	0.4
71.01290	1.2
71.51737	0.2
71.52148	0.4
73.02818	0.4
79.20943	0.2
81.03362	0.3
83.04905	0.5
85.02846	7.3
86.03161	0.2
87.00771	2.1
89.02290	0.2
91.10591	0.2
93.03354	4.3
99.04408	0.4
99.37682	0.2
101.05994	0.2
109.02865	0.8
111.04447	1.5
113.02399	0.3
113.19991	0.2
115.03943	0.4
119.04949	1.4
127.03950	1.9
132.65079	0.2
145.02878	0.9
163.03966	1.5
171.02931	0.4
173.04521	2.0
191.05589	100.0
192.05949	3.8
199.11887	0.2
213.80463	0.2
236.28110	0.2
240.22218	0.2
337.09320	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.094
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03337	0.9
59.01263	3.8
60.99180	1.3
65.63625	0.3
67.01777	5.3
69.03339	1.3
71.01268	3.3
71.51953	0.3
73.02844	0.5
74.02378	0.4
81.03359	1.7
83.04922	1.7
85.02847	6.3
86.02399	0.5
87.00776	6.7
93.03362	29.5
94.03693	0.7
96.95910	0.7
99.00780	0.7
101.02338	0.4
101.07107	0.4
109.02856	1.0
111.00766	0.5
111.04443	5.1
113.02350	1.1
114.77264	0.3
117.03375	0.5
119.04946	15.5
120.05336	0.7
127.03932	1.2
128.03438	2.1
129.01863	0.7
137.02373	1.4
143.04541	1.2
145.02888	1.6
145.06152	0.9
155.03453	2.4
161.07144	0.7
163.03964	13.9
164.04288	0.5
173.04515	39.5
174.04889	1.2
181.06090	0.4
191.05588	100.0
192.05936	4.4
199.07286	0.5
209.02400	0.3
211.07768	0.8
228.07111	0.6
250.06535	0.4
256.09418	0.5
263.03494	0.5
272.08981	1.5
274.10583	0.4
295.12985	0.5
320.05682	0.5
337.09381	5.8
338.06610	1.3
338.10022	0.6
344.82709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.149
Annotation	Hapalindole G
Peak:m/z	Relative Intensity
56.97924	7.4
59.01002	0.8
59.01271	12.5
69.37470	6.4
71.01271	1.5
78.83786	0.9
83.04908	0.9
84.45292	0.6
87.99779	1.8
97.06469	1.8
103.02155	0.9
107.08579	1.8
111.02661	1.9
113.04208	0.8
120.10402	0.7
123.08079	1.2
123.99801	3.5
125.09657	4.7
126.98514	1.4
133.06505	2.7
133.86841	0.9
135.08072	0.9
137.00612	1.1
138.01396	1.7
139.02155	2.7
139.05823	0.9
147.08075	0.9
149.09663	1.0
151.02151	1.5
152.02882	0.9
161.24292	0.7
163.11237	1.1
165.03787	1.0
166.82249	0.8
167.05353	7.0
171.10246	0.8
177.09167	1.0
181.12309	1.2
183.08464	1.1
185.10081	0.8
185.11810	3.2
191.05612	1.0
193.03140	0.8
195.10205	1.5
207.10248	3.1
211.04161	0.8
225.11278	2.2
229.09035	11.1
229.12381	1.2
230.09186	0.9
234.09253	0.9
259.16983	2.3
264.08234	2.1
277.09311	1.3
282.09436	1.4
285.15097	2.8
293.21252	1.3
303.16080	4.2
304.16321	1.2
319.13776	13.0
319.22702	0.8
320.14178	1.4
337.14880	100.0
338.11115	1.6
338.15121	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	337.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	0.5
56.33208	0.5
58.52465	0.5
59.01263	3.9
62.18270	0.5
67.79163	0.5
68.99722	1.3
69.03365	0.8
69.46548	4.3
71.01287	1.8
73.02853	1.0
75.00772	0.8
78.95766	0.9
81.03349	1.0
83.01305	0.7
83.04929	1.1
85.02856	4.5
87.00798	1.5
88.08168	0.5
89.02352	1.0
93.03358	4.3
96.96870	0.9
97.30309	0.5
98.20569	0.6
99.00784	1.8
101.02367	1.3
111.00793	1.6
111.04436	2.7
113.02361	3.1
113.69683	0.5
113.99506	7.3
115.00333	2.6
118.09030	0.6
119.04953	47.0
120.05316	2.2
127.00309	0.9
129.01860	1.0
137.02385	0.6
155.03479	2.7
157.01364	1.8
162.89290	1.4
163.03966	100.0
164.04311	5.2
169.01283	0.6
173.04507	6.4
174.01672	7.9
175.02429	1.2
187.58958	0.5
191.05594	12.8
211.07623	0.5
223.60960	0.5
250.06706	1.2
277.05750	8.5
277.08868	1.0
337.07822	54.8
338.08240	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	337.0939
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.26226	0.4
59.01262	1.8
67.01754	0.4
69.93289	0.4
70.05471	1.4
70.05887	0.7
71.01261	0.7
72.38915	0.4
83.04917	0.5
85.02838	1.9
86.44164	0.4
87.00769	0.6
91.61403	0.4
93.03362	2.2
98.19822	0.4
99.52769	0.4
100.37778	0.4
109.02852	0.5
111.04440	1.3
119.04947	44.3
120.05288	1.6
127.04004	0.5
137.02396	0.4
154.24855	0.4
155.03432	2.0
163.03963	100.0
164.04292	5.1
173.04492	4.4
190.62646	0.4
191.05588	24.5
192.05919	1.1
337.09366	6.6
338.09613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.0
68.54790	1.2
69.61576	2.4
69.61978	6.8
84.52525	1.0
96.17171	1.1
97.06432	1.6
98.19890	2.3
110.26334	1.2
113.09647	1.6
115.07530	1.3
125.06081	1.2
140.44171	1.3
165.12851	1.9
181.12305	2.7
193.12276	1.6
195.13918	1.6
211.13373	2.1
247.20734	3.9
252.23340	1.2
273.18655	2.1
281.21158	1.8
291.16385	1.6
291.19714	27.7
292.20096	2.7
309.20801	100.0
310.21103	9.5
343.31131	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0786
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01765	1.3
57.03345	0.8
57.65671	0.7
59.01264	9.8
61.56873	0.8
62.59278	0.9
68.99722	4.6
69.03344	1.4
69.73754	0.7
71.01280	13.2
71.55642	0.9
72.99199	2.5
73.02850	2.8
75.00771	2.2
78.95782	0.9
83.01271	3.2
85.02843	10.9
85.77393	0.7
85.83883	0.7
87.00775	6.9
89.02353	9.5
95.01293	2.4
96.96828	1.4
97.02848	1.8
99.00790	10.7
101.02345	3.8
103.00266	1.2
103.02094	0.7
111.00792	4.7
111.30138	0.8
113.02357	10.9
113.99507	22.9
115.00303	11.6
127.00294	10.8
129.01901	4.5
131.82301	0.7
135.78099	0.8
139.00307	2.1
141.01881	1.9
145.01308	0.8
157.01379	19.4
161.04482	1.3
167.24953	0.9
169.01411	1.9
174.01663	29.4
175.02370	3.5
179.05562	2.4
191.05562	1.7
265.18930	0.8
277.05713	26.1
278.06104	1.5
337.07855	100.0
338.08105	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	337.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29641	2.4
57.03299	2.3
59.01257	10.2
60.53516	2.4
68.99706	6.4
69.86292	13.2
71.01260	7.0
75.00769	2.9
79.25523	2.4
80.88185	2.7
81.00581	3.0
83.01307	3.4
85.02839	12.1
86.21897	2.7
87.00782	5.7
98.20528	3.2
98.98374	2.4
99.00763	9.3
111.00787	6.3
113.02370	12.5
113.41512	2.7
113.99500	36.2
115.00308	15.6
117.33712	2.5
119.04949	14.8
127.00297	5.4
129.01852	3.5
138.13370	2.4
157.01430	12.0
163.03943	19.3
169.01428	4.9
174.01663	34.5
175.02394	3.2
191.05656	2.8
239.13499	2.4
277.05707	37.6
337.07861	100.0
338.07965	6.5
338.42099	2.7
343.12988	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	335.2237
Annotation	Sphaeropsidin F
Peak:m/z	Relative Intensity
53.09239	1.1
57.03339	2.6
57.98211	1.4
59.01248	2.1
65.54662	1.3
65.70779	1.1
67.01789	1.5
69.03345	1.9
71.01266	1.3
71.04946	1.4
71.62686	1.5
71.63074	1.4
80.02549	1.5
81.03371	3.5
83.01290	2.5
97.02850	1.3
97.06482	5.8
106.04141	1.6
109.06516	2.0
110.03659	1.3
121.06557	1.6
122.58327	1.2
123.04455	7.6
135.08087	2.3
137.09653	8.3
149.06042	1.8
153.12817	11.9
153.13940	2.1
165.12746	4.3
169.15996	1.7
182.40816	1.3
191.14407	4.8
193.15894	3.3
197.11852	1.5
209.15350	7.1
213.14937	14.8
215.12900	2.8
219.13940	2.2
235.13458	11.5
237.14998	100.0
238.15404	7.4
239.16560	3.0
252.80183	1.4
253.14496	5.4
254.15028	1.5
273.22296	7.4
299.20212	3.4
317.21310	94.7
318.21542	11.2
335.22421	37.5
336.22687	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	335.2237
Annotation	8-iso-PGA1
Peak:m/z	Relative Intensity
52.48232	1.3
56.18489	1.6
57.03328	1.3
59.01252	3.6
69.83894	3.9
69.84303	3.5
71.01252	1.9
74.96570	1.4
81.03338	1.8
95.80073	1.2
96.95928	2.9
98.19883	1.9
99.02492	1.3
101.17564	1.4
119.32027	1.2
121.06522	1.9
123.04443	4.0
137.09631	3.9
153.12755	2.3
163.11208	2.2
165.12833	3.0
191.14391	2.3
209.15514	1.7
213.14932	12.3
215.12907	1.6
235.13472	9.9
253.14520	6.2
254.14784	2.2
273.22290	3.9
317.21298	100.0
318.21649	13.5
328.50140	1.5
335.18527	2.9
335.22363	37.4
336.22546	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	335.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.4
71.62830	0.4
78.53606	0.1
81.03350	2.7
96.95890	0.2
122.03656	1.4
123.04354	0.2
125.02313	0.2
135.04500	0.3
136.05191	0.2
193.25961	0.2
195.17378	0.2
222.23338	0.2
238.70168	0.2
265.25464	0.8
271.61951	0.2
291.23248	0.4
293.24960	3.1
294.25140	0.3
301.92822	0.2
317.24844	0.3
333.24399	2.4
334.24905	0.3
335.25998	100.0
336.26340	10.7
350.26715	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0624
Annotation	Jaboticabin
Peak:m/z	Relative Intensity
59.01260	2.9
59.99578	1.0
61.98718	16.3
63.08651	1.2
65.00227	1.7
69.46745	4.4
69.47174	4.7
80.96436	1.1
91.01794	82.3
92.02097	2.3
94.69434	1.0
95.01268	3.3
96.95926	3.3
107.01312	2.9
108.02110	1.9
111.00774	1.3
121.75868	1.0
122.58057	1.0
123.00816	10.0
125.02366	1.3
135.00810	76.9
136.01118	2.4
145.02892	3.7
151.00301	7.7
151.03949	18.6
152.01051	3.6
153.01880	59.5
154.02171	1.9
166.02676	16.0
167.03450	42.9
175.03859	1.5
181.01323	1.3
189.05496	1.8
201.05560	43.7
202.05936	1.8
203.03552	2.2
203.07095	2.5
217.05107	6.2
229.05106	15.2
245.04507	5.3
247.06111	1.6
256.03790	2.3
257.04611	11.3
273.04077	7.8
277.07458	1.9
282.44391	1.1
301.03613	100.0
302.03873	8.9
313.34167	1.1
315.05112	2.3
319.04660	46.3
320.05002	4.2
333.06229	50.9
333.13696	10.0
333.20721	3.0
334.06509	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	333.0626
Annotation	3-Bromo-4-chloro-7(14)-chamigren-9-ol
Peak:m/z	Relative Intensity
55.59907	0.5
57.50793	0.4
58.52541	0.5
59.01263	1.6
60.41304	0.5
61.98706	2.2
63.35595	0.5
71.60143	0.9
90.91237	0.5
96.95927	2.7
113.73898	0.6
122.49462	0.5
125.03424	0.5
139.03888	0.6
158.03548	0.6
159.04410	0.6
161.06030	1.3
185.02425	0.6
187.03999	1.1
190.02727	0.5
201.05554	1.2
202.02756	0.6
203.03503	1.7
214.02692	0.8
215.03510	0.7
217.05074	10.8
218.05682	1.1
231.53572	0.6
232.03815	1.7
242.02223	1.3
244.03618	0.7
245.04599	14.8
246.05191	2.0
256.03793	1.6
257.04639	1.2
261.04144	0.5
273.04095	11.6
274.04620	2.0
277.03815	1.0
277.07321	1.6
301.03616	6.6
305.06476	0.6
315.05182	13.7
316.05728	0.6
333.06238	100.0
333.13815	3.1
334.06516	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	333.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04039	0.5
59.01254	0.5
71.01274	0.5
78.03377	0.8
78.10840	0.5
90.23958	0.4
92.04955	1.4
94.06537	3.8
95.04899	0.4
96.95913	1.0
98.19825	1.0
104.04964	2.3
105.03373	1.8
105.17999	0.4
106.02846	0.5
106.05833	0.9
106.06528	11.0
107.03666	0.8
108.04466	1.9
112.31162	0.4
120.04461	4.9
121.05244	1.6
122.02380	0.8
122.06044	12.6
122.06958	0.6
123.03159	1.6
123.06324	0.6
127.07560	2.1
131.03755	0.8
132.04462	7.2
136.84157	0.5
138.05534	22.2
139.05931	0.6
148.04002	0.9
150.05557	2.8
166.05051	1.1
171.06596	1.8
189.07910	1.0
200.05537	0.5
203.09579	0.8
209.11861	0.9
215.11845	0.7
217.07439	1.7
229.09976	0.7
231.11356	1.0
238.84111	0.5
241.09880	2.5
243.11308	1.4
271.10983	1.1
289.12009	100.0
290.12335	8.0
310.96231	0.5
333.10770	9.1
334.11389	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68861	0.5
59.01253	0.9
60.23492	0.4
61.49662	0.4
61.75076	0.4
63.54631	0.4
69.03339	1.2
71.01273	0.9
71.52949	0.8
80.80512	0.4
84.02052	1.2
97.02852	3.8
99.08051	1.4
102.95457	0.4
121.06490	0.4
121.10136	0.4
127.07580	18.9
128.08347	0.7
129.09128	1.6
147.60915	0.4
151.03824	0.5
165.12817	2.1
167.06888	1.1
178.02478	0.5
181.12320	3.8
183.13876	4.6
197.12024	0.5
201.09035	0.9
201.23804	0.5
203.10481	2.2
205.12144	0.6
217.08517	0.9
219.09999	0.7
221.11565	1.3
223.13145	10.3
224.13579	0.6
233.07968	1.9
233.11610	10.3
234.12067	0.6
235.09506	3.4
235.20648	0.6
237.11102	3.3
249.14626	0.5
261.11185	2.5
262.11911	11.9
263.12320	1.0
265.10513	3.4
267.12204	18.2
268.12509	1.4
285.18439	0.8
287.20352	0.5
303.19461	3.2
305.21008	2.0
315.19489	5.4
316.19357	0.5
317.17249	0.6
319.18954	1.1
331.18008	0.7
333.20560	100.0
334.20920	10.3
349.20096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2445
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
53.18329	0.3
56.75115	0.3
59.01266	0.8
70.84574	1.0
81.03358	2.2
81.95576	0.3
122.03652	1.7
135.04456	1.0
149.06023	0.7
235.20705	0.5
241.61606	0.3
289.21829	0.7
291.23294	1.7
315.23383	0.3
316.06519	0.4
331.22882	2.7
333.24432	100.0
334.24747	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	331.068
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.59957	1.2
59.01266	1.5
69.03326	2.0
70.02615	6.0
81.03339	1.6
83.01266	2.3
95.01297	1.5
97.02840	6.0
98.20436	2.2
107.01360	1.3
110.00017	1.2
113.02361	1.6
114.24028	1.4
123.00784	3.5
124.01582	16.5
125.02371	75.1
126.02701	1.6
137.99527	1.1
144.21701	1.3
149.99535	33.0
151.00262	2.3
153.01910	14.0
167.03427	2.9
168.00603	77.7
168.04236	6.2
169.01363	9.6
169.05110	1.4
174.24164	1.2
299.93921	1.3
313.05679	11.4
313.18097	2.8
331.06778	100.0
331.19238	3.3
332.07129	7.7
348.28879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08171	0.6
57.62027	0.5
59.01255	3.0
63.77259	0.4
65.54099	0.5
68.97456	0.5
69.03343	10.6
69.46030	0.5
71.01255	2.7
71.53246	0.5
84.02055	0.8
90.09222	0.6
93.03344	0.7
97.02855	48.6
97.06467	1.0
98.03168	1.6
108.02060	0.7
111.04402	1.4
113.02410	0.6
125.05988	3.0
127.07543	1.7
139.55185	0.5
145.02818	0.5
152.00854	1.8
153.01910	0.6
178.02428	5.1
181.12241	1.1
183.13799	0.5
191.03239	4.6
210.01486	5.8
219.06410	6.6
220.06969	0.6
221.11684	0.5
222.08771	0.7
233.08057	0.9
233.11641	2.5
234.08754	1.5
261.11136	54.1
262.11899	100.0
263.12247	6.4
267.12210	0.6
294.10913	11.7
295.11325	0.7
313.17990	3.6
331.15759	1.7
331.19006	35.4
332.19492	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	333.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18668	1.5
54.98446	1.5
57.03323	6.3
59.01265	3.9
61.98712	2.3
63.02278	4.5
65.00208	8.3
67.01777	2.4
71.55993	2.4
76.71386	1.5
83.01292	9.2
85.02827	1.8
90.40946	1.6
93.03355	5.1
95.01290	2.1
96.95909	4.4
102.21643	1.6
107.01313	8.4
107.04941	1.8
109.02852	7.2
119.04884	1.7
121.02878	2.2
124.01562	2.2
125.02381	22.2
131.04947	5.8
133.02866	2.8
135.00729	1.8
135.04442	10.6
137.02367	7.2
147.04393	2.4
149.02396	2.0
151.00330	12.9
159.04405	7.9
163.00304	3.6
165.01904	3.7
171.04428	2.8
173.06058	2.4
175.03914	6.1
177.01956	2.3
177.05490	2.8
178.99817	3.1
179.03444	2.8
183.04506	3.1
187.03915	2.0
199.03993	3.2
203.03511	5.4
214.02660	2.3
215.03549	8.8
217.05086	4.8
227.03583	6.0
243.03036	7.6
245.04529	4.1
271.02466	5.4
289.03622	100.0
290.04034	9.3
291.78531	1.6
333.02698	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	331.047
Annotation	mearnsetin
Peak:m/z	Relative Intensity
59.01266	0.6
63.82206	0.4
65.00201	0.5
69.22865	2.8
69.23290	1.7
80.85262	0.4
98.20502	0.8
103.59855	0.4
107.01294	0.9
115.21131	0.4
123.04798	0.4
124.01599	4.8
125.02354	1.1
135.00793	0.8
135.20973	0.4
136.01593	0.5
148.01605	1.0
151.00304	2.4
152.01105	1.0
154.03467	0.4
161.02386	0.4
163.00389	0.9
164.01105	3.3
169.01370	0.4
169.03175	0.4
169.99522	0.4
178.99852	2.4
186.03189	0.4
187.03955	0.6
192.00677	0.5
192.07880	0.8
199.03999	0.5
203.03462	1.1
204.04286	1.0
213.01920	0.6
214.02733	8.3
215.03352	1.2
217.01334	0.6
227.03455	0.7
232.03749	0.8
241.01492	0.8
242.02219	6.7
243.03020	5.5
244.03586	0.7
259.02493	9.0
260.02957	0.6
270.01761	7.6
271.02542	45.3
272.02863	3.8
287.02063	27.3
287.05313	0.9
288.02466	3.8
315.01724	1.0
316.02313	100.0
317.02643	7.9
331.04636	71.8
331.19382	0.7
332.05042	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	331.0679
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.76504	0.4
57.03339	0.6
57.97449	3.3
59.01265	1.3
59.26551	0.3
65.00205	0.4
66.79354	0.3
69.03345	2.0
69.53381	2.6
71.01287	0.9
79.01783	0.6
81.03342	1.7
83.01293	2.5
85.02796	0.5
87.05541	0.4
89.02316	0.4
95.01286	0.9
96.95929	0.7
97.02854	2.6
99.00819	0.4
101.02373	0.4
107.01318	2.1
108.02093	1.2
109.02979	0.4
123.00798	3.3
124.01595	12.6
125.02373	54.8
126.02715	1.6
128.03490	0.5
137.02403	0.7
139.03937	1.1
141.94565	0.3
143.04506	0.5
144.26750	0.3
149.99530	21.2
151.00342	8.8
153.01855	0.5
159.03079	0.4
161.04547	0.5
167.03468	1.0
168.00601	47.8
169.01373	11.2
169.05014	0.9
170.01720	0.5
175.00354	1.1
178.79846	0.3
193.01366	0.8
202.02658	0.4
211.02515	0.8
213.72215	0.4
272.08884	0.7
313.05762	5.9
314.06351	0.4
331.06781	100.0
332.07104	7.5
332.10541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76941	0.4
57.03349	0.4
59.01267	49.4
59.29839	0.4
60.01596	0.8
70.45584	0.4
71.01273	4.3
71.51701	0.9
72.99197	0.8
73.02828	1.2
73.72108	0.4
79.95636	1.4
80.96411	1.5
83.01290	0.7
85.02855	2.4
96.95915	58.0
101.02335	3.3
109.02880	0.6
113.02384	1.3
116.26781	0.4
119.98804	0.4
122.97514	0.9
123.04361	0.5
125.02366	0.7
135.98259	0.7
138.97005	1.2
150.96992	1.4
152.01077	1.1
153.01891	0.5
159.02902	0.5
161.04512	1.8
167.03461	11.5
180.98007	0.5
209.02870	0.5
241.00270	3.6
241.05412	1.0
269.10419	2.4
329.09192	100.0
330.09491	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	329.2342
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.52993	0.5
57.03334	1.4
59.01261	0.8
61.91064	0.6
63.93856	0.5
67.52682	0.6
70.40869	0.7
70.41219	1.9
72.80537	0.6
79.34488	0.6
83.04923	0.7
84.02142	0.6
97.06492	0.8
99.08054	7.5
101.78488	0.5
103.65149	0.5
117.12041	0.6
125.09644	1.5
126.31678	0.5
127.11231	4.8
129.09201	0.6
139.11217	8.2
155.10815	0.6
155.14304	0.8
157.66859	0.7
165.12820	0.7
167.14360	1.2
171.08759	1.1
171.10225	18.3
172.10573	0.6
177.54602	0.6
183.13881	5.7
193.12309	1.7
209.11795	1.6
211.13397	26.5
212.13747	1.6
229.14471	15.1
266.76819	0.6
293.21298	1.8
309.21170	0.8
326.26395	0.6
329.23410	100.0
330.23752	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	331.0469
Annotation	Quercetagetin 3-methyl ether
Peak:m/z	Relative Intensity
50.20146	1.9
53.15406	1.9
59.01266	14.3
63.02287	6.1
65.00210	16.9
71.01267	3.6
71.55860	3.4
83.01277	9.3
90.34183	2.3
93.03383	4.7
95.01331	2.2
97.02879	10.0
99.00840	2.5
107.01297	22.9
108.02068	7.4
109.02862	2.6
111.00799	7.9
117.03403	4.8
123.00835	3.7
124.01562	4.9
125.02350	3.5
127.07587	4.7
133.02852	2.7
139.00314	7.8
145.02898	3.2
149.02409	2.7
149.99625	3.1
151.00316	100.0
152.00986	8.1
153.01891	3.8
159.04480	3.4
161.02405	4.5
161.04517	2.6
164.01126	7.2
166.99832	2.6
168.00595	2.3
169.01385	4.1
171.04494	4.8
173.02422	2.5
175.04068	2.8
178.99857	28.2
179.03523	4.2
183.02974	2.9
183.04495	4.8
187.03879	4.0
188.04807	4.3
189.01918	5.4
189.12877	2.6
193.01385	2.4
199.04004	6.3
203.03529	9.3
205.08783	2.4
206.99359	3.1
208.00131	4.2
211.02483	35.9
211.04337	3.0
215.03476	8.9
217.01370	3.2
223.02394	4.9
227.03568	6.3
231.03006	8.8
231.06625	4.2
232.03700	5.5
242.02159	3.7
243.03087	10.9
244.03717	3.6
255.03033	22.0
259.02548	22.5
270.01828	3.4
271.02591	25.5
272.03116	11.1
283.02512	4.5
285.04132	3.0
287.02084	14.4
287.05200	3.8
288.02826	7.0
299.02087	11.7
300.02594	5.2
301.02673	2.4
303.05045	4.0
313.03586	3.4
313.18234	17.1
313.24023	3.1
316.02341	36.9
317.02588	2.9
331.04672	79.4
331.15536	11.2
331.19226	20.5
331.25021	39.0
332.05011	6.3
332.25482	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0887
Annotation	32142-31-7
Peak:m/z	Relative Intensity
53.91582	0.2
57.03341	0.7
59.01264	2.2
65.00223	0.4
67.01771	0.2
69.43934	1.1
69.44346	0.6
71.01293	0.6
81.03349	4.2
83.01285	2.4
85.02851	0.5
93.03386	0.4
95.01322	0.3
95.04935	1.1
96.37122	0.2
97.02891	0.3
99.04435	0.3
107.01318	0.4
109.02859	0.7
119.04993	0.4
121.02890	0.5
123.04445	36.1
124.04800	1.1
125.02367	4.4
131.01328	0.3
135.04456	0.5
136.15991	0.2
137.02382	0.9
139.03938	0.6
149.02443	1.3
151.00328	1.0
151.03928	1.3
153.03340	0.3
163.03966	1.0
165.01942	0.3
166.02689	0.7
167.03456	100.0
168.03813	4.2
175.00279	1.0
179.03499	0.8
180.04340	0.4
181.05043	2.7
191.03479	25.9
192.03819	1.2
193.01456	0.2
193.05029	0.3
209.04549	8.7
210.04869	0.6
221.04562	2.8
225.01953	0.3
233.04660	0.4
251.05527	0.3
253.01448	4.3
254.01775	0.3
269.06662	0.8
302.04028	0.2
329.08884	5.7
330.09354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0886
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.85785	0.5
59.01258	2.9
59.16387	0.6
61.65035	0.5
70.84662	0.9
71.01270	1.2
72.14480	0.5
90.42449	0.5
95.01285	1.3
108.02080	47.6
109.02402	1.5
113.18127	0.5
118.86107	0.6
123.00801	1.6
123.04440	18.2
125.02372	0.8
134.36935	0.5
150.85657	0.6
152.01096	36.7
153.01471	0.8
164.85156	0.5
166.99786	1.8
167.03452	100.0
168.03809	3.8
329.08511	0.9
329.13452	0.7
330.06036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0921
Annotation	Nauclealine A
Peak:m/z	Relative Intensity
52.56536	0.5
57.03346	0.6
59.01263	22.7
70.57826	0.5
70.77293	1.2
70.77644	0.7
71.01270	3.6
72.99191	0.8
73.02850	1.0
74.98998	1.1
79.95625	2.0
80.96408	1.8
83.01272	1.2
85.02843	1.3
96.95914	70.6
97.02854	0.6
99.00836	0.7
101.02334	2.9
109.02875	1.3
121.02874	0.7
122.97459	0.8
123.04418	0.6
129.62517	0.6
135.98308	1.3
138.97020	1.5
149.05997	0.5
150.97009	0.9
153.01848	0.9
161.04562	0.7
167.03464	8.8
167.07030	0.7
175.03926	0.8
180.98065	1.2
189.59024	0.5
192.99588	0.8
209.02722	0.8
241.00227	2.8
241.05531	0.9
257.50250	0.5
269.10452	1.0
329.09183	100.0
330.09467	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	329.0675
Annotation	Dillenetin
Peak:m/z	Relative Intensity
55.03994	0.3
59.01272	2.8
69.42423	3.5
71.01255	0.5
84.42706	0.4
87.33846	0.4
107.01276	0.5
117.27407	0.3
141.12878	0.4
145.02948	0.4
151.00307	1.5
155.04953	0.6
157.02840	0.4
163.00317	0.4
171.04494	2.0
171.10220	0.6
175.03906	0.5
183.04472	1.1
185.02386	0.4
187.04031	1.0
197.02425	0.7
199.03998	7.0
201.01952	2.2
203.03474	1.4
211.03937	0.4
211.13324	0.4
215.03513	5.6
225.01929	0.6
226.02679	1.3
227.03522	7.0
228.03830	0.4
229.01399	0.6
239.16577	0.5
241.01547	0.4
242.02240	11.1
243.03017	45.9
244.03337	3.6
255.03024	2.6
257.04611	12.5
258.05048	0.9
259.15631	0.6
270.01749	11.4
271.02539	59.4
272.02841	4.0
282.01987	0.4
285.04111	25.2
286.04840	7.7
296.40396	0.4
299.02042	39.1
300.02368	3.9
314.04404	68.1
315.04706	5.6
329.06741	100.0
329.23343	5.6
330.07089	9.6
330.23801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0887
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.45441	0.9
59.01270	8.3
59.20637	1.1
71.01260	1.8
71.55843	1.8
72.42498	0.8
81.03355	4.1
83.01285	3.6
85.02847	2.7
88.26077	0.9
93.03330	2.0
95.04933	9.2
97.02835	2.5
99.04399	2.0
122.03669	2.4
123.04455	12.8
125.02380	15.0
137.02382	4.4
137.06024	9.5
139.03961	2.3
149.05978	1.2
165.05484	3.1
165.06921	1.0
167.03461	46.1
167.07060	8.6
168.03716	1.6
168.07364	1.0
179.03432	6.3
181.05043	2.0
189.96838	1.2
193.04985	1.4
197.04532	1.8
206.02165	1.5
209.04550	100.0
210.04935	5.0
213.81195	1.1
221.04535	3.7
239.05624	25.5
240.06113	1.9
249.83902	1.1
281.61188	1.1
329.08792	11.6
329.12537	9.3
330.12683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0884
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03347	0.7
59.01270	4.4
65.00221	0.6
65.13081	0.4
66.30197	0.4
70.75555	1.1
71.01270	0.8
73.02853	0.6
81.03354	3.3
83.01285	2.3
85.02848	0.4
89.02336	0.9
95.04930	0.9
96.95892	2.3
97.02856	0.4
98.25358	0.4
101.02333	0.8
107.01254	0.5
108.02069	0.5
109.02868	1.1
109.82773	0.4
113.02349	0.5
113.18192	0.4
121.02840	0.5
123.04442	27.0
124.01621	0.7
124.04778	0.7
125.02380	5.9
137.02431	0.4
139.04001	0.7
148.04926	0.5
149.02417	0.4
151.00311	1.4
153.01857	2.4
167.03456	100.0
168.03816	3.6
178.60817	0.4
191.03488	0.7
209.04469	0.9
329.08902	13.4
329.17398	0.7
330.09531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2186
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
51.41121	9.4
57.03326	21.7
59.01277	21.7
60.05516	9.3
70.32256	34.7
79.12958	8.9
81.03363	12.7
83.01276	20.7
83.04910	30.3
95.04889	10.3
97.02883	9.5
97.06487	31.4
123.08126	13.3
125.09610	58.0
139.11226	48.9
163.11229	19.3
165.12788	45.1
167.10692	61.6
171.10254	16.5
181.12270	26.6
185.11778	14.5
191.10693	19.6
209.11847	100.0
211.13504	10.5
247.20795	30.6
265.21872	13.0
291.19785	71.6
327.21896	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2186
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03334	54.6
59.01266	66.1
69.03341	17.1
69.77411	8.3
70.36874	19.3
70.37276	13.4
71.01292	40.0
73.47031	7.6
80.02547	8.6
83.04916	29.0
89.02348	9.8
95.04920	13.2
97.06507	22.5
99.08066	16.4
111.08075	25.4
113.09631	32.1
125.09626	8.7
127.11221	18.6
129.09140	20.8
149.09723	14.8
151.11194	49.7
153.09180	10.8
153.12834	15.9
155.10712	41.4
161.04486	10.8
163.11214	27.9
165.12761	50.6
167.10747	19.3
171.10240	59.6
179.10751	33.8
179.14462	10.9
181.12311	93.6
185.11815	17.6
191.10732	31.6
195.10136	8.6
197.11800	50.4
209.11813	86.8
210.12151	13.4
211.13516	14.7
247.20685	13.9
263.20236	13.3
267.10999	22.7
291.19650	36.0
309.20673	22.3
327.21661	100.0
327.24738	13.9
328.21970	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0674
Annotation	Dillenetin
Peak:m/z	Relative Intensity
59.01244	1.3
64.82468	0.3
71.49385	0.5
71.49722	0.5
93.47334	0.3
99.73498	0.3
107.01263	0.6
133.02873	0.3
151.00290	1.2
155.04980	0.4
163.00322	0.4
171.04411	0.9
171.10168	0.5
183.04597	0.4
187.03955	0.6
198.02988	0.3
199.03990	3.4
201.01978	1.4
203.03499	0.7
215.03493	1.9
225.02121	0.3
226.02773	0.4
227.03520	3.7
242.02231	0.7
243.03036	4.5
244.03346	0.4
254.02106	0.5
255.03029	1.0
269.04599	1.4
270.01678	0.8
271.02539	67.8
272.02866	5.5
282.01685	0.3
285.04160	2.1
286.04843	0.6
299.02039	100.0
300.02380	9.2
314.04398	99.4
315.01239	0.6
315.04730	8.7
329.06738	69.4
329.23233	1.2
330.07080	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	327.2185
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03332	4.6
58.00482	3.7
59.01260	6.7
71.01280	3.0
71.16866	5.3
72.26627	2.3
83.04932	3.1
85.02844	6.8
89.02399	2.6
96.80318	2.1
97.06487	4.7
99.08021	3.1
115.07571	100.0
122.89883	2.5
125.09642	4.2
127.07570	4.3
129.09149	16.5
142.64349	2.9
153.12804	37.1
155.10724	12.2
161.93292	2.2
171.10240	17.1
176.24957	2.2
181.12202	2.9
183.13866	10.4
185.11829	10.5
197.11827	57.5
199.13397	33.6
209.11856	5.3
211.13367	10.0
215.12885	52.7
227.12907	98.4
228.13216	6.5
229.14459	67.7
230.14792	5.3
265.21738	6.4
267.10974	3.3
270.85135	2.5
273.18347	2.3
291.19763	12.2
299.22345	9.7
309.20804	49.9
310.21121	3.1
327.15878	5.9
327.21863	86.4
328.22083	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	327.2186
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.22446	0.4
52.19331	0.4
55.01751	0.4
57.03334	2.9
58.00495	0.4
60.59504	0.4
69.03352	3.2
69.33213	2.9
69.33624	0.8
71.01285	0.4
83.04910	1.3
84.02068	0.4
85.02850	11.5
95.04935	1.1
97.02883	1.3
97.06506	3.9
98.20557	0.8
106.35425	0.4
110.03632	0.6
119.08604	0.4
121.13912	0.3
123.08073	0.4
125.09652	1.7
127.11191	1.8
137.09662	3.6
140.21341	0.4
155.10754	0.7
165.12828	1.2
167.14383	0.8
171.10237	26.0
172.10533	1.4
177.12799	0.7
183.13885	4.3
185.11807	1.1
193.12326	1.5
197.11847	0.7
201.11340	0.7
203.10759	0.5
209.11911	2.2
211.13397	20.6
212.13716	1.3
221.11891	3.0
229.14462	11.7
230.14731	0.5
239.12999	2.5
247.20590	0.5
291.19788	3.2
309.20953	0.9
327.21848	100.0
328.22186	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	327.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.1
59.43622	0.8
62.24500	0.8
69.03344	1.1
69.29330	9.4
73.02834	3.5
73.81783	0.8
83.04919	0.9
97.06482	2.6
98.03643	1.9
99.08058	3.3
112.05218	2.5
113.09651	1.8
115.07533	3.2
125.09624	2.5
127.07570	4.4
127.11204	1.9
129.09146	36.5
129.10124	1.8
130.09402	1.4
141.09142	13.6
141.12746	2.1
153.12788	1.4
153.97659	0.8
155.09523	1.5
155.10727	19.8
163.11215	1.2
165.12856	1.4
171.10220	12.0
172.10541	0.9
185.11803	53.2
186.12151	2.9
197.11816	42.9
198.12169	1.9
209.11797	6.8
214.52654	0.8
247.20718	1.7
253.19647	0.8
273.18466	1.1
283.75342	0.9
291.19763	13.6
292.20062	2.0
295.30673	1.0
295.76440	0.9
309.17258	1.7
309.20813	28.2
310.21194	2.3
327.21848	100.0
328.22217	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	327.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.3
58.00491	4.5
69.03327	1.8
69.49697	7.4
69.50129	9.9
73.02832	2.7
74.62442	1.8
82.40434	1.9
83.04887	2.0
115.07571	100.0
116.07883	2.5
127.07598	2.6
129.09142	11.5
147.11894	1.9
151.36858	2.0
151.98102	1.8
153.12791	35.9
155.10715	2.8
155.14381	4.2
169.12167	2.1
171.10228	4.6
181.12354	3.7
183.13953	5.7
197.11838	56.8
198.12109	5.0
199.13400	33.1
200.13737	3.8
202.85814	2.5
209.11853	6.7
211.13391	9.3
215.12900	40.5
216.13385	3.2
221.29395	1.9
227.12915	94.6
228.13248	6.0
229.14467	60.3
265.21793	5.1
266.88083	2.1
291.19711	5.8
299.22433	11.0
309.20755	36.2
310.21243	4.8
327.21835	30.0
328.22137	4.3
347.85654	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	327.0883
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
58.50813	0.7
59.01265	2.0
70.79710	0.6
71.01299	1.5
71.23261	1.8
75.47306	0.7
85.02863	0.6
89.04905	0.7
93.03365	25.4
94.03696	1.1
96.99219	3.1
100.33655	0.6
109.02856	0.9
117.03387	1.9
119.04942	21.4
123.04417	2.2
130.04176	1.8
131.04965	5.4
133.02861	4.3
137.02325	1.3
143.04970	18.1
144.05318	0.9
145.02888	4.3
145.06520	1.3
159.04504	1.0
163.03967	11.9
163.05217	1.3
171.04492	2.3
211.07655	5.8
219.08099	0.9
221.09717	1.8
223.07565	1.3
235.07712	3.2
236.08235	0.8
237.09250	7.6
239.10909	0.8
265.08749	21.7
266.09128	2.2
283.09726	3.4
309.07690	6.3
327.08817	100.0
328.09149	12.5
328.32950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	1.3
57.03340	1.7
58.00480	3.0
59.01266	53.9
61.40559	1.0
64.05515	1.1
70.74222	3.5
71.01273	41.0
72.99204	4.9
73.02838	47.2
74.68362	1.0
75.00761	7.7
75.65309	1.1
83.01263	2.3
85.02839	13.3
87.00770	14.2
89.02341	37.7
93.03370	1.6
93.23819	1.1
95.01304	2.0
95.72689	1.1
96.95963	1.6
99.00801	6.7
101.02351	28.8
103.03910	2.5
109.02885	2.1
111.00816	1.5
113.02353	15.7
117.01862	3.6
118.02919	2.6
119.03400	20.5
131.03448	1.8
135.02890	6.9
142.74677	1.3
143.03485	3.4
146.02420	10.1
147.02795	11.9
147.06456	1.2
153.01929	3.3
161.04556	4.9
165.04025	2.6
165.05470	2.5
165.07654	3.7
172.50969	1.1
173.04530	3.3
179.05579	6.3
191.05580	19.6
227.31143	1.3
237.06279	1.2
267.10925	9.5
300.67542	1.1
327.09467	100.0
327.12921	8.4
328.09839	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	327.1096
Annotation	Paeonoside
Peak:m/z	Relative Intensity
53.67797	0.8
57.03321	0.7
58.00491	1.6
58.80444	0.8
59.01266	32.6
71.01272	21.0
71.43879	1.9
72.99200	3.8
73.02836	1.1
79.53171	0.8
83.01292	1.6
85.02867	4.8
87.00768	0.8
89.02339	16.8
95.01285	3.0
96.95914	1.7
97.72237	0.8
101.02345	11.0
111.73348	0.9
112.91716	0.7
113.02351	6.6
119.03437	8.1
119.04932	4.2
135.12006	0.8
147.04462	100.0
148.04796	3.8
165.05534	16.1
181.01372	1.2
182.02141	1.8
308.24005	0.9
327.10947	79.6
327.21652	1.7
328.05829	0.9
328.07391	0.9
328.11206	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	326.089
Annotation	3,4-dihydroxymandelonitrile beta-D-glucoside
Peak:m/z	Relative Intensity
59.01267	5.8
69.59862	6.0
71.01284	4.1
72.99216	1.1
75.00768	0.9
75.34961	0.7
76.01823	1.4
85.02839	0.8
87.00764	2.4
89.02341	2.6
93.03345	1.3
99.00749	1.2
101.02365	1.8
108.02039	0.9
109.02850	1.0
113.02366	1.6
118.02904	20.3
119.03374	1.1
121.02850	3.9
135.15768	0.9
137.02374	2.3
139.03922	2.5
146.02420	100.0
147.02780	5.1
148.03992	5.4
159.02956	1.3
161.04509	1.1
162.01842	1.3
163.02647	3.0
163.03902	1.4
164.03517	3.3
206.04599	1.7
295.71823	0.7
318.42093	0.7
326.08911	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	326.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65424	0.9
59.01262	1.9
68.48384	0.8
71.51749	1.0
76.01824	4.6
77.46295	0.8
118.02909	29.2
119.01281	1.4
119.03259	1.5
127.03736	0.9
146.02420	100.0
147.02777	4.0
181.32098	0.9
337.83994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47841	1.5
59.01255	5.8
71.01265	3.8
76.01837	2.2
87.00779	3.8
101.02327	1.9
107.89635	1.7
118.02904	26.1
118.88544	1.9
121.02883	4.3
137.02306	2.4
139.03958	3.7
139.32304	1.9
146.02420	100.0
147.02774	6.2
148.04015	4.1
153.51381	1.8
161.02347	2.1
163.02568	1.9
164.03494	2.6
264.18582	1.8
326.08722	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	325.2179
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
56.67948	1.0
59.01256	9.1
78.95767	1.1
88.81135	1.0
149.09656	84.7
150.09993	2.6
163.11232	100.0
164.11583	5.7
183.01172	15.0
184.01633	1.6
193.07281	1.2
197.02747	2.0
209.11890	1.6
229.12634	1.3
307.19128	2.8
325.18411	30.5
325.21790	95.8
325.27740	3.4
326.18710	3.8
326.22107	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.7
59.01266	5.6
69.03349	1.5
71.01260	1.1
71.04889	0.5
71.33778	0.5
71.34144	0.7
72.45888	0.3
77.00348	0.3
79.16692	0.3
84.76963	0.3
95.04955	0.6
97.02837	0.7
97.06510	1.2
99.08057	0.9
101.02345	0.5
117.11923	0.3
123.08081	1.1
125.09657	4.9
126.10032	0.4
127.07539	0.7
127.11205	1.0
135.08138	0.4
139.11220	1.1
149.09737	0.5
153.09143	1.0
160.71758	0.4
163.11235	5.2
164.11565	0.5
165.12755	0.5
167.10724	4.0
168.11453	0.6
171.10188	1.3
175.49869	0.4
179.10713	3.9
181.12315	2.7
183.01118	0.9
185.11743	0.4
190.25563	0.4
195.13919	1.4
197.01276	0.4
197.02789	1.9
197.10027	0.5
197.11815	7.5
198.12204	0.5
209.11842	2.8
223.09808	2.7
227.13060	0.5
240.13641	0.5
247.87289	0.4
249.22267	0.8
255.63240	0.4
275.20135	0.9
289.18219	0.4
293.18066	0.4
293.21292	7.3
294.21634	0.5
307.19196	4.4
307.22891	1.2
309.20798	3.1
310.21548	4.7
311.22031	0.7
325.18649	3.3
325.20102	4.0
325.23901	100.0
326.18411	0.5
326.20352	0.6
326.24249	10.8
342.20392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13377	0.5
55.66599	0.5
57.03341	1.0
59.01269	4.1
68.75504	0.5
71.01291	0.8
71.42693	1.1
72.97400	0.5
83.04913	0.7
98.62492	0.5
100.87051	0.5
109.06503	0.5
111.08062	0.5
113.81910	0.4
125.09624	1.0
127.07571	1.1
127.11195	1.4
139.11179	0.9
141.09215	0.5
153.09152	1.0
156.06068	1.9
163.11252	1.1
165.12830	1.6
167.10754	0.7
171.10240	1.6
181.12320	1.6
182.07674	0.8
183.01224	2.5
185.11783	0.8
193.12328	0.6
195.13918	0.6
197.02701	3.1
197.11739	0.8
209.11893	3.9
215.11122	2.4
244.11333	0.5
244.33783	0.4
247.20592	0.8
249.22240	1.9
265.21823	1.0
289.18237	0.5
291.19754	8.0
292.20090	0.5
293.21307	9.5
294.21423	0.6
305.81757	0.5
307.19290	5.4
307.22580	1.0
309.21002	0.6
310.21509	3.5
325.18350	16.0
325.23907	100.0
326.18655	2.4
326.24222	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	325.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95913	1.4
55.01753	1.8
57.03337	3.1
59.01269	11.2
69.03340	2.0
69.84234	9.3
70.66509	1.4
71.01264	3.3
80.02565	2.8
81.03346	2.8
83.04913	6.9
84.02055	1.7
95.04895	2.5
97.06482	8.7
99.08011	2.0
109.06510	3.5
110.46371	1.9
111.08070	4.0
115.07545	6.3
125.05996	2.2
125.09654	5.0
135.08070	2.4
137.09596	2.2
151.11232	5.6
153.09193	2.3
155.10716	9.3
163.11279	8.6
165.12749	3.9
171.10223	4.4
178.09937	5.1
179.10786	2.8
181.12314	5.2
184.53969	1.7
185.11734	2.1
191.10718	4.7
197.11829	4.7
207.10179	2.0
209.11844	96.4
210.12256	9.4
211.13283	2.4
236.10637	1.6
245.19106	1.9
268.04367	1.7
279.19904	1.7
289.18079	7.0
307.19247	100.0
308.19601	10.0
325.20328	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	325.2029
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
54.99290	0.5
57.03328	0.9
58.06141	0.6
59.01267	7.1
69.85102	3.3
71.01237	1.6
73.02824	1.1
80.02541	1.8
81.03328	1.7
83.04920	4.9
84.02035	1.1
95.04902	1.4
97.02851	0.7
97.06477	1.6
99.08059	0.9
101.02313	0.6
109.06459	0.9
112.05210	0.8
113.02299	0.6
115.07571	6.2
121.02843	0.7
123.07943	0.5
125.05958	0.6
125.09679	2.5
127.07575	1.2
127.11188	1.5
135.08076	1.2
137.09604	1.6
145.15004	0.5
153.09116	1.1
155.10728	6.8
163.11258	5.5
165.12823	3.0
171.10210	2.0
178.09966	5.4
181.12274	1.4
184.29964	0.5
185.11807	0.9
191.10739	1.9
197.11807	1.8
207.10214	1.3
209.11829	76.7
210.12177	3.5
227.12910	0.6
236.10519	0.9
245.19124	1.2
263.20227	0.9
265.12869	0.7
269.39096	0.6
277.10956	0.5
279.19781	1.3
281.21237	1.1
289.18204	3.7
307.19269	100.0
307.22791	7.6
308.19647	9.2
308.23215	1.5
325.20267	10.5
325.23984	13.4
326.24240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2029
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.57066	0.7
59.01275	1.8
69.84132	0.8
71.08010	1.7
71.08342	1.3
72.44059	0.8
73.02879	1.1
74.27933	0.8
74.45336	0.7
80.02543	1.4
81.03349	1.5
83.04917	5.1
84.02039	1.5
95.04926	1.4
97.06478	1.5
112.05215	1.6
115.07571	6.9
118.23898	0.8
125.06023	1.1
125.09625	2.8
127.07597	1.0
127.11192	1.2
135.08174	1.0
153.09146	1.3
155.10718	7.8
163.11241	6.1
165.12759	2.8
171.10245	1.3
173.04976	0.9
178.09952	5.0
181.12280	1.1
185.11780	1.1
191.10736	1.8
197.11836	1.5
207.10217	1.5
209.11842	80.8
210.12100	5.3
227.12859	1.0
236.10500	1.3
245.19119	1.0
246.89244	0.9
263.20480	1.1
289.18118	3.3
307.19229	100.0
308.19553	9.0
325.20285	8.7
326.20844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	27.5
59.01252	37.7
69.03336	18.6
71.45210	12.9
76.35120	8.9
81.03366	11.7
83.01273	29.1
83.04925	19.3
90.49934	8.9
95.04942	10.9
97.02827	12.6
97.06488	37.3
103.59280	11.4
123.04418	30.4
123.08093	16.1
125.09647	87.1
137.09624	35.4
141.12805	11.1
153.09154	14.3
163.11209	38.8
165.12794	18.0
167.10715	48.2
171.10182	11.3
181.12340	12.6
185.11790	36.3
191.10829	12.5
207.10332	32.9
209.11832	100.0
210.12292	9.9
225.11340	20.0
232.48898	11.5
240.39243	10.3
245.19099	21.5
289.18082	22.8
307.19162	24.5
325.20215	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	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73981	1.3
69.74381	2.6
71.01331	1.3
83.05000	1.8
84.02129	0.9
99.08141	1.4
109.06583	0.7
112.75898	0.5
115.07623	1.6
125.09733	1.9
127.07594	7.6
139.07668	1.6
153.09174	9.0
153.10252	0.6
155.10789	1.4
160.43851	0.5
163.11307	1.0
165.12827	1.1
171.10208	7.9
178.10022	1.2
178.35141	0.6
185.11804	9.8
191.10858	0.9
191.14423	0.9
197.11844	9.2
209.11827	42.3
210.12206	2.2
223.28813	0.6
236.10670	0.8
238.12152	6.4
239.16673	1.0
245.19250	2.4
253.10918	0.7
255.12440	1.1
256.13223	2.3
263.20190	1.3
279.19666	1.1
281.21371	1.0
289.18170	8.7
307.19229	100.0
308.16092	0.6
308.19598	9.3
325.20264	41.1
326.20544	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	4.7
58.32626	1.1
59.01259	4.8
69.03355	2.8
69.30102	11.3
71.01279	4.3
71.04912	7.2
73.02855	1.5
80.02579	2.2
83.04916	3.3
84.02053	1.3
85.02847	2.0
85.06471	2.0
87.04416	3.3
95.04947	2.7
97.02847	4.3
97.06474	5.1
98.19795	2.0
99.08063	1.5
107.04857	1.3
109.06507	21.5
111.08059	3.5
125.05981	2.5
125.09621	4.4
127.07552	4.9
127.11207	1.7
134.97411	1.0
135.08075	1.5
137.09627	2.0
146.89630	1.1
151.11273	3.0
153.09096	3.5
163.11223	2.5
167.10791	1.7
169.12274	4.6
171.10194	6.2
181.12286	2.5
183.13882	1.9
185.11821	3.6
193.12292	3.5
195.10196	1.3
197.11826	40.7
199.13387	3.4
201.11327	12.7
209.11821	13.1
211.13382	40.3
212.13779	1.6
213.11371	7.8
219.13739	1.7
227.12862	2.5
235.13460	8.3
237.14977	18.1
238.12169	2.0
245.19180	2.2
249.14957	2.7
289.18149	13.7
307.19229	34.6
307.22610	2.3
308.19531	2.7
325.20273	100.0
326.20694	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	325.2029
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03330	4.4
58.00488	5.0
59.01264	17.4
61.11620	2.1
66.49422	2.3
69.03335	2.6
70.57939	7.1
71.01289	4.0
73.02840	4.3
83.04886	4.0
84.02096	4.0
95.04916	4.1
95.44218	2.1
97.06496	5.8
99.08089	4.7
107.86891	2.4
109.06506	3.6
113.05991	6.7
115.07560	13.7
125.06030	2.8
125.09660	19.6
127.07566	18.9
135.08044	2.4
139.07593	2.6
141.09151	10.2
148.05348	2.3
151.11227	22.8
153.09140	7.2
153.12799	22.6
155.10757	3.0
155.14453	4.9
163.11241	3.6
165.12784	5.5
171.10234	13.1
181.12202	4.7
183.13808	2.4
185.11786	8.4
197.11841	38.1
199.13380	33.0
201.11203	12.0
209.11829	36.3
211.13438	5.2
213.11296	2.6
215.12888	25.6
223.13417	5.6
227.12915	100.0
228.13319	6.4
229.14476	70.2
229.16769	3.4
230.14870	3.9
238.12186	3.0
245.19150	3.7
263.20288	11.5
279.19812	3.7
281.21231	7.0
289.18146	14.2
297.20837	10.1
307.19208	77.3
308.19467	7.8
318.85385	2.4
325.14679	2.6
325.20273	54.0
326.20529	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	325.203
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
51.56197	1.2
57.03333	2.2
58.00485	4.9
59.01270	5.6
61.28569	0.9
62.62111	0.9
69.03374	1.7
70.91272	2.8
71.01275	1.6
71.04929	1.3
73.02840	1.1
80.02547	1.0
83.04933	1.7
84.02084	3.2
91.09940	0.9
95.04940	4.0
97.06490	4.0
99.08078	2.9
105.65453	0.9
107.04940	1.1
109.06481	1.2
111.08117	1.4
113.06017	7.5
115.07573	11.2
122.83491	0.8
123.08154	0.9
125.09653	3.4
127.06738	1.8
127.07590	20.7
129.09114	1.0
136.86331	0.8
137.09659	1.4
138.55180	0.9
151.11243	23.0
152.11594	1.0
153.09148	3.0
153.12807	24.6
155.10721	1.9
155.14381	3.3
163.11256	1.1
165.12810	3.9
169.12277	4.0
171.10210	3.3
171.13857	2.0
181.12323	4.0
183.13838	5.6
185.11823	3.1
191.10760	1.4
191.14392	1.3
197.11838	46.9
198.12175	1.9
199.13391	34.7
200.13747	1.9
209.11862	14.4
211.13419	3.1
215.10922	1.9
215.12910	30.4
216.13226	1.6
226.76633	0.9
227.12915	100.0
228.13249	7.5
229.14482	77.9
230.14810	4.7
230.54715	1.0
239.15555	1.4
245.19139	3.9
256.13193	1.4
258.64615	1.1
263.20221	5.7
269.21259	3.9
279.19708	2.0
281.21338	1.8
289.18219	7.2
294.87170	0.9
297.20758	8.7
307.19226	36.9
308.19571	3.6
311.84033	1.0
323.48715	1.0
325.10028	1.1
325.16656	1.5
325.20319	22.0
326.20609	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	325.0938
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
51.73506	1.6
57.15879	1.1
59.01265	37.4
70.49846	4.0
71.01274	19.2
72.99217	1.7
73.02896	1.3
85.02850	4.1
87.00742	1.7
89.02337	11.6
89.14180	1.2
90.69963	1.1
91.01857	1.2
93.03391	1.5
94.55450	1.2
96.95923	3.6
101.02341	7.0
113.02377	3.5
117.03392	16.5
119.04949	95.9
120.05273	3.5
121.02880	2.7
132.05730	3.3
133.06520	16.5
134.06905	1.3
135.00838	1.7
135.04582	1.3
138.15385	1.3
145.02896	90.8
146.03253	4.1
149.02396	3.0
161.04733	2.8
161.06039	32.7
162.01950	8.5
162.06377	1.6
163.02412	4.5
163.03961	100.0
164.04422	5.6
175.00340	2.5
177.05545	11.5
187.04008	6.0
190.02701	7.1
191.03378	2.7
200.70323	1.2
205.05054	42.1
206.05579	2.8
209.11797	1.7
221.08334	2.9
223.06171	3.7
235.06157	50.0
236.06535	2.9
265.07239	68.4
266.07547	5.1
307.19232	4.3
325.09375	3.9
325.13226	2.6
325.20197	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	325.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.4
58.60914	0.7
59.01265	12.5
60.61576	0.8
63.30400	0.8
69.53675	5.2
69.54082	2.0
71.01287	1.9
72.97417	1.1
73.02845	1.1
80.48224	0.8
81.07513	0.8
82.61719	0.9
83.04939	1.1
85.01060	1.4
85.02843	1.0
86.99004	2.7
101.02346	0.9
109.06487	1.1
111.08056	0.9
113.00610	0.9
113.04214	1.2
114.01350	0.8
121.10107	1.0
125.09669	2.3
127.02150	2.3
127.07556	2.5
127.11227	2.3
136.20544	0.9
139.11197	2.9
139.19771	0.8
140.36180	0.8
151.11224	0.9
153.09196	3.0
155.10686	1.1
156.06062	7.9
165.12845	2.6
167.10710	1.3
171.10236	4.3
172.96112	1.0
179.10719	1.0
181.12291	6.0
182.07678	3.6
183.01157	4.5
185.11781	1.4
197.02783	7.5
197.10097	1.7
197.11751	2.0
209.11835	11.2
210.12004	0.8
211.13528	1.0
213.09555	1.6
215.11153	10.0
223.13483	1.3
243.52290	0.9
244.11452	2.5
247.20724	4.0
249.22151	1.1
265.21735	1.4
273.18723	2.5
275.20398	0.9
291.19751	40.3
292.20071	4.6
293.21323	10.1
307.19516	11.1
307.22794	1.7
308.19550	0.9
310.21652	3.1
325.18533	85.4
325.23917	100.0
326.18735	9.2
326.24243	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	325.2031
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03308	4.8
59.01266	56.9
61.98709	6.8
63.22990	2.9
69.03335	3.6
71.01267	7.6
71.04913	17.1
71.52737	3.7
71.53104	3.1
71.68030	2.5
73.02839	5.6
75.29935	2.7
83.04917	11.9
85.02831	5.5
85.06506	2.6
90.66219	2.7
95.04900	3.1
95.55991	2.8
96.95892	3.3
97.06489	7.9
99.12848	2.9
101.02335	5.3
109.06526	8.1
115.76451	2.5
121.10175	3.7
123.08050	10.0
125.09670	6.5
127.07560	3.9
135.08054	5.6
141.09138	3.2
147.80742	2.9
153.09180	4.8
171.10229	26.5
176.63103	3.2
178.17081	3.2
181.12337	2.8
185.11844	13.4
197.11784	18.6
201.11206	3.9
209.11880	34.9
211.13293	6.1
223.13412	4.2
227.12871	12.5
233.45990	3.3
235.13316	10.2
237.14922	5.1
245.19179	3.5
249.15073	5.9
265.13022	6.7
289.18195	13.4
307.19223	57.7
308.19421	3.7
325.20258	100.0
326.20651	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	323.2601
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
55.21062	0.5
57.03344	0.8
59.00991	0.9
59.01266	14.8
60.72195	0.5
71.01257	1.5
85.02810	0.6
89.02346	0.6
90.51172	0.4
92.68633	0.6
93.37304	0.5
93.67164	0.6
98.20584	1.1
101.02325	1.0
113.09603	2.0
161.04488	1.2
170.87296	0.6
171.10248	1.1
189.55844	0.5
199.13393	1.2
207.17497	0.9
209.11864	1.4
223.17053	16.7
224.17427	0.8
226.94894	0.6
229.56160	0.6
236.07175	0.6
252.89848	0.6
263.11545	0.8
279.27155	0.7
279.63391	0.5
291.19641	1.0
305.17603	1.7
305.24911	21.6
306.25125	1.6
323.25977	100.0
324.26273	9.6
347.41519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.0733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59456	3.1
56.15144	2.9
59.01269	21.8
62.33408	2.6
69.40323	28.3
71.01286	12.6
83.01283	3.6
85.02859	15.7
90.25890	3.0
95.01289	5.8
95.97523	2.9
97.06496	2.8
101.02364	8.8
107.01251	3.8
109.02857	53.6
113.02362	34.2
123.00769	4.5
123.42411	3.3
125.02377	4.4
135.00778	18.9
144.98834	2.9
153.01881	86.7
161.01135	6.0
162.01918	100.0
163.03979	5.4
174.01947	13.1
175.88838	2.9
177.01929	5.4
186.01945	7.7
219.03085	4.4
237.03873	3.3
253.57904	3.1
265.07446	3.4
295.88715	3.4
297.06238	68.8
298.06573	4.0
324.07373	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	325.0937
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
58.00475	1.7
59.01265	42.9
61.98721	1.7
69.88253	7.0
69.90956	1.1
71.01267	18.0
72.99191	1.9
85.02846	3.7
89.02340	11.4
89.90091	1.2
93.03332	2.6
95.01269	2.1
96.95941	2.1
99.00811	1.4
101.02370	7.1
103.89713	1.1
113.02363	5.3
117.03389	16.6
118.03758	1.2
119.03477	3.7
119.04948	87.1
120.05270	3.5
121.02874	4.3
123.04413	2.3
132.05719	3.4
133.01663	1.2
133.06508	14.2
135.00786	3.1
135.08141	1.3
145.02888	100.0
146.03255	4.0
147.03194	3.6
147.04378	1.8
159.04456	2.2
161.01126	2.4
161.06042	40.5
162.01901	14.5
162.03178	2.4
162.06360	1.8
163.02316	10.4
163.03951	72.7
164.04254	2.7
167.85497	1.1
177.05554	9.8
179.01651	2.3
187.03984	5.6
195.04836	8.5
205.05051	48.9
206.05453	1.9
209.11812	1.8
235.06157	33.5
265.07233	84.1
266.07581	7.3
307.19296	2.9
325.09619	1.9
325.20200	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	325.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.9
57.03335	1.0
59.01266	38.8
61.98717	1.5
63.27663	0.9
69.37959	9.4
71.01269	20.7
72.99197	1.7
73.02850	1.3
85.02834	4.2
87.00803	1.1
89.02338	11.9
95.01257	1.0
98.19807	1.4
101.02367	8.1
103.21812	1.0
109.02873	0.9
113.02374	6.1
117.03389	19.3
118.02884	1.6
118.03655	1.3
119.03472	3.0
119.04950	82.4
120.05267	2.6
121.02905	4.4
131.04956	1.6
132.05702	3.5
133.06528	15.6
136.01122	1.3
145.02893	100.0
146.03262	4.7
147.03223	1.4
147.04376	1.5
159.04413	1.2
160.20563	0.9
160.99112	1.0
161.01236	1.1
161.06030	45.0
161.07379	2.2
162.01967	5.3
162.06390	1.8
162.93565	0.9
163.02391	4.3
163.03954	85.6
164.04323	4.7
177.05544	11.0
179.01697	2.2
187.04019	6.5
195.04797	7.2
205.05054	49.0
206.05415	3.6
209.11798	1.5
217.04945	1.2
224.04137	1.0
235.06136	37.1
236.06509	1.8
264.42633	0.9
265.07233	87.5
266.07547	6.0
307.19220	2.9
308.42978	0.9
325.20245	3.1
325.31021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78874	0.6
50.79147	0.6
52.36108	0.6
57.03336	1.5
58.06272	0.6
59.01275	5.8
60.56136	0.6
71.01254	0.8
71.04923	0.8
71.30339	1.6
73.02812	0.7
80.02579	1.1
81.03339	2.1
83.04917	6.7
84.02032	0.8
95.04932	4.0
97.02882	1.9
97.06479	3.9
99.04424	0.9
106.04139	0.9
107.04940	13.3
109.02853	0.7
109.06503	3.3
110.03668	2.0
113.05968	1.9
115.07584	1.0
121.02849	1.5
122.03646	1.0
123.04439	1.8
123.08067	2.2
125.02351	1.8
125.06001	4.2
125.09652	8.5
133.02991	0.7
135.04442	1.3
135.08089	6.5
151.07602	1.3
153.09155	13.3
163.11293	6.7
163.82480	0.6
165.12816	5.4
171.10210	1.6
176.08377	3.1
178.08386	0.7
178.09958	3.0
179.10712	0.8
181.12318	2.1
185.11833	2.4
188.70995	0.6
191.10712	1.8
197.11806	11.9
197.75331	0.7
198.12238	1.0
202.57402	0.8
207.10263	8.2
209.11823	99.6
210.12173	7.7
222.38037	0.8
225.11311	7.6
236.10527	2.1
238.12044	0.7
243.17551	1.9
245.15417	1.8
253.10858	1.1
261.18661	5.3
263.11307	0.7
263.16467	1.2
269.15616	1.0
277.18143	1.7
279.19608	4.1
279.52975	0.7
287.16577	10.8
288.17026	1.0
305.17657	100.0
306.18042	10.9
323.18729	16.4
324.19073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	26.6
59.01269	100.0
68.92613	6.3
70.93717	7.1
70.94054	14.5
71.01276	18.8
71.04901	19.5
81.03374	8.5
83.04909	9.2
95.04948	18.2
97.06489	17.4
103.31689	7.3
107.04942	7.9
109.06489	12.1
117.37807	5.8
119.04950	8.4
120.05735	18.7
120.79594	6.6
123.04456	17.8
123.08081	9.2
125.05962	7.1
125.09650	46.5
132.62593	7.9
135.07262	7.9
135.08110	76.1
137.09666	8.5
147.04408	9.5
151.07619	16.8
153.09247	7.2
165.09354	6.8
171.10229	15.4
175.07646	9.9
185.11803	75.3
189.12915	14.4
199.09784	14.5
209.11868	15.6
237.15060	34.6
238.61417	6.8
243.17603	22.8
249.14966	11.1
263.11469	7.5
269.15689	8.2
279.19745	8.3
287.16641	49.5
305.17642	89.4
309.05853	7.7
323.18591	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	323.1872
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.88105	0.9
57.03329	1.5
59.01264	12.4
61.37822	0.7
69.03284	0.9
71.01275	2.1
71.04905	1.4
71.10731	1.6
71.11058	1.0
78.05006	0.8
80.02568	2.1
81.03349	2.6
83.04930	8.5
85.02869	1.3
89.02386	0.8
91.14949	0.9
95.04910	2.4
97.02889	1.2
97.06485	3.6
98.01778	0.8
99.04422	1.6
101.02379	1.0
107.04948	13.9
109.06519	2.8
110.03629	1.5
113.02441	1.0
113.06014	1.2
115.07551	1.0
121.02863	1.0
121.41399	0.8
123.04390	1.4
123.08079	1.9
125.02342	2.8
125.05993	5.7
125.09640	9.9
127.07496	1.0
135.08067	6.5
151.11301	1.1
153.09163	14.0
161.04535	0.9
163.11235	7.0
165.12808	4.0
171.10239	1.2
176.08376	3.2
178.09901	2.5
181.12311	1.7
185.11786	3.9
187.09732	0.8
190.09998	1.3
191.10747	2.0
197.11824	12.1
207.10248	7.0
207.13809	0.9
209.11836	100.0
210.12161	7.0
217.12390	1.0
225.11314	7.3
236.10533	3.9
243.17555	1.9
245.15465	1.7
251.71628	0.9
253.10870	1.9
261.18713	4.9
263.16367	1.1
277.18155	1.3
279.19720	4.0
287.16641	9.8
288.16888	1.0
291.19708	1.2
305.17667	99.6
306.18002	9.7
312.33209	1.0
323.18744	15.0
323.22232	1.1
324.19040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1872
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.44286	1.6
53.89781	1.1
57.03337	2.8
59.01267	24.6
60.12250	1.3
67.61395	1.3
69.43740	12.0
71.01266	2.6
71.04900	1.3
80.02591	1.9
81.03352	1.3
83.04916	5.4
84.02076	1.5
91.05421	3.0
95.04929	2.3
97.02861	4.9
97.06498	55.1
98.06834	1.4
101.02374	1.5
106.04155	2.3
107.05000	1.6
109.06501	47.5
109.71617	1.4
110.03644	1.8
117.07008	2.5
119.04926	2.9
120.89799	1.2
121.06534	1.9
123.08078	5.0
125.09641	45.6
135.08098	22.6
142.02657	1.8
143.07057	1.4
153.09232	1.2
161.04590	2.7
161.06024	33.9
161.09688	2.7
162.06348	2.0
163.11249	13.0
169.08681	1.3
171.10275	2.6
181.12308	8.9
185.11861	3.5
187.09705	1.4
191.14398	1.4
207.10257	33.2
209.11801	5.1
217.15923	2.6
225.11324	36.9
226.11920	3.1
243.17558	3.4
261.15070	5.5
261.18665	2.9
263.11395	3.1
269.15594	3.0
275.82391	1.3
277.18118	5.1
279.16086	57.2
280.16449	3.8
287.16623	23.2
288.16913	1.6
305.17661	100.0
306.17896	9.7
323.18665	9.7
338.08188	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88586	0.3
57.03336	0.4
59.01263	3.0
64.42970	0.3
69.03342	0.4
71.01286	0.4
71.02419	0.7
79.73577	0.3
81.03358	0.5
85.99902	0.3
95.01265	0.4
95.04910	0.4
96.95905	0.3
97.02853	1.1
97.06486	0.6
109.06512	0.4
113.06039	0.5
113.06801	0.3
123.04441	0.4
123.08080	1.0
125.09657	5.0
127.07549	1.2
137.09624	0.4
161.04451	0.4
163.11229	3.5
165.09160	2.6
165.12810	0.5
166.09674	0.4
177.12819	1.1
181.12329	2.2
195.13885	0.5
197.11845	4.5
203.10782	0.4
207.10243	1.2
209.11873	0.6
221.11853	4.1
222.12161	0.4
223.13443	0.5
239.12907	2.9
240.13597	0.5
247.20813	0.6
253.14607	0.6
263.11340	0.3
273.18719	1.2
291.19742	11.5
292.20209	0.9
299.98853	0.3
305.18207	0.5
305.21347	2.1
307.19095	2.0
308.20047	7.4
323.22366	100.0
324.22702	8.5
340.19073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
59.01242	2.1
60.78069	0.5
71.62362	1.1
84.21436	0.5
93.03331	0.6
97.06453	0.7
107.04909	1.7
111.08071	1.5
113.09601	1.1
119.36261	0.6
123.08038	0.9
125.05928	0.7
125.09628	2.3
127.07699	0.5
141.09096	0.8
151.11244	0.6
159.19998	0.5
163.11223	0.7
165.08966	0.6
165.12819	6.1
181.12273	1.3
183.13882	1.3
191.10901	0.5
191.14453	0.5
193.12296	1.7
209.11783	0.8
217.15967	1.5
247.20729	4.2
273.18680	3.5
274.19058	0.7
291.19742	82.1
292.20108	9.1
305.21356	0.9
307.19501	0.6
308.20026	6.1
323.22360	100.0
324.22702	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	323.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49292	0.5
52.94984	0.5
53.86562	0.5
57.03346	1.2
59.01265	2.4
61.98698	1.0
62.59593	0.6
70.38052	1.4
71.01272	1.1
71.04916	1.0
78.05911	0.6
80.02578	2.3
81.03351	2.2
83.04922	6.5
84.02055	1.0
93.03409	0.7
95.04933	3.0
97.02845	0.7
97.06497	3.4
99.04435	1.1
106.04138	0.7
107.04938	12.6
108.05318	0.7
109.02886	0.5
109.06506	3.6
110.03655	1.5
111.00839	0.6
113.06001	1.1
121.02898	1.4
121.06538	0.7
123.04436	1.5
123.08058	1.7
125.02377	2.5
125.06023	4.0
125.09653	8.6
127.07559	0.7
128.33406	0.5
135.04446	0.6
135.08118	5.0
137.09746	0.6
147.04459	0.6
151.07623	0.7
151.11195	0.7
153.09158	13.4
154.09482	0.9
163.11249	6.5
165.12819	3.4
171.10277	0.9
176.08427	2.9
178.09988	3.6
181.12297	1.2
185.11809	2.7
189.09293	0.8
190.10063	0.7
191.10818	2.1
192.11369	0.6
197.11827	13.7
198.12158	1.1
207.10272	7.8
208.10748	0.7
209.11833	100.0
210.12178	6.7
225.11336	7.7
226.11736	0.9
231.40195	0.6
232.07112	0.5
233.19147	0.6
236.10626	3.0
243.17549	2.5
245.15530	1.5
253.10843	1.3
254.11644	2.5
261.18655	7.0
261.51819	0.5
262.19040	0.7
263.16547	0.8
269.15659	1.2
277.18094	2.4
279.19781	3.5
280.20135	0.7
287.16629	9.2
288.16843	1.0
305.17664	97.5
306.17987	11.6
323.18738	14.3
324.18887	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61191	1.9
57.03340	3.6
57.07770	2.1
59.01267	73.9
68.56081	2.0
69.03333	11.2
69.31913	2.0
69.33370	14.1
69.33781	5.2
71.01251	11.4
71.04930	4.3
73.02823	3.1
77.32915	1.9
81.50965	1.7
82.18697	2.1
83.04914	3.4
85.02858	4.2
89.02344	6.0
95.01296	2.8
95.04953	2.9
97.02863	11.2
97.06480	2.5
101.02346	5.9
101.06035	2.0
107.04970	3.0
109.06492	4.2
111.04459	2.4
111.08089	2.3
113.02359	4.0
123.04442	6.8
123.08075	5.6
125.09624	6.1
135.11671	2.8
136.05234	6.6
137.09615	4.6
142.02644	3.9
149.06021	4.3
151.07623	2.9
151.11197	3.9
153.09119	2.9
153.12816	6.1
161.04507	7.1
161.09691	7.1
165.12740	5.0
171.10228	4.8
177.09137	2.0
179.10756	43.6
180.11073	2.8
181.12296	5.6
197.11827	68.7
198.12096	3.1
205.08731	4.9
207.13831	4.8
209.11868	8.0
223.09766	48.8
224.10127	3.8
228.55144	1.9
241.10849	53.1
242.11070	2.8
247.20728	3.2
263.11411	6.5
263.19980	2.1
273.18863	2.2
291.19745	65.3
292.20227	4.2
305.17697	9.4
305.21317	27.4
306.21484	2.7
308.19943	4.2
323.10046	2.6
323.18674	24.1
323.22360	100.0
324.22601	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	323.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74384	1.0
56.84687	1.0
57.28167	0.9
59.01267	100.0
60.01621	1.0
71.00899	1.2
71.01271	14.6
71.39917	1.8
72.99208	2.0
73.02827	4.1
74.54401	1.0
83.01268	2.1
85.02847	5.8
89.02349	7.4
95.01283	1.4
97.90870	1.1
99.00779	2.1
101.02354	12.2
113.02352	7.3
119.03392	3.2
143.03384	1.1
152.20882	0.8
159.02882	2.1
161.04514	14.4
169.33318	1.0
179.05565	1.2
253.93512	0.9
263.11429	28.7
264.11835	2.5
323.13489	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	323.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.3
58.00484	1.9
59.01266	100.0
70.64154	3.7
71.01275	46.4
72.99194	2.6
74.94436	1.5
83.01305	2.6
85.02869	8.9
87.00764	3.3
89.02340	41.7
89.02895	2.2
89.77771	1.7
92.61874	1.5
95.01313	3.4
101.02357	28.1
101.90587	1.7
102.67269	1.6
104.99528	1.6
113.02349	16.4
119.03433	17.0
131.03456	2.4
143.03458	2.3
144.47981	1.8
149.04440	2.1
161.04474	4.1
179.05562	2.3
181.08755	1.8
192.63429	1.8
198.98955	1.8
201.53943	1.5
263.11328	4.7
311.12845	1.8
323.13550	96.0
324.13922	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03361	2.1
59.00953	1.6
59.01268	37.8
61.98720	100.0
69.42511	15.1
71.01283	6.0
81.03359	1.9
82.15746	1.4
83.04917	4.7
84.02077	1.7
85.02831	1.6
89.02370	1.7
95.01295	2.3
95.04925	3.1
96.95920	2.9
97.06519	3.5
99.04436	1.5
101.02344	2.2
105.06895	1.5
107.01306	3.6
107.04926	8.6
108.02155	1.7
109.02853	3.4
109.06519	5.6
111.00798	5.0
113.02390	2.1
121.02847	1.8
123.00821	5.9
124.01583	4.4
125.02361	2.6
125.06008	2.0
125.09650	4.7
135.00807	5.1
135.08112	5.3
139.00294	1.8
147.03215	2.3
151.07610	2.0
152.01102	20.0
153.01895	6.3
153.09148	6.5
161.04503	3.1
162.01865	2.4
163.11258	5.1
165.12851	2.2
171.10229	4.4
176.08421	2.0
178.09943	2.9
181.12378	2.3
183.43146	1.4
183.45065	1.6
185.11726	2.0
189.09135	1.9
191.10754	3.3
197.11835	6.2
201.11270	3.2
207.10300	6.8
209.11813	56.7
210.12244	3.6
213.11209	1.6
225.11353	5.8
227.17467	1.5
235.13374	2.4
236.10638	1.5
260.09335	67.5
261.09598	6.8
261.18680	4.2
263.11462	5.1
277.18124	2.3
279.19781	4.1
282.13736	2.0
287.16580	8.4
305.17645	58.3
306.18066	5.1
314.20309	1.8
323.15518	2.2
323.18726	17.4
324.19043	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	323.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36031	0.6
57.03329	1.0
58.00474	2.9
59.01266	73.4
60.01588	0.6
69.80278	2.8
71.01272	40.9
72.99213	4.4
73.02849	1.2
75.00763	0.8
78.95799	2.8
79.96780	0.6
83.01286	2.6
84.39207	0.8
85.02825	7.1
87.00780	1.9
89.02338	42.1
95.01292	2.9
96.96851	1.6
98.20192	1.8
99.00788	0.8
99.08080	0.9
101.02357	29.7
110.01637	0.7
111.01910	0.6
113.02357	17.2
119.03423	22.0
125.02383	1.1
126.02350	0.7
131.03432	1.1
141.69749	0.7
143.03418	1.7
143.07063	0.7
149.04510	1.3
161.04532	3.4
179.05576	2.3
184.02647	0.6
243.86476	0.6
263.05847	1.3
263.11374	2.5
323.13553	100.0
324.13873	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	323.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61819	0.7
53.75611	0.8
54.11119	0.6
59.01266	100.0
59.62170	0.7
63.83335	0.8
70.69904	2.2
71.01274	7.2
73.02866	1.3
85.02868	2.3
87.00775	1.2
89.02366	3.9
101.02356	5.1
101.05969	1.3
113.02365	4.1
119.03449	2.6
135.02956	0.8
146.55545	0.7
148.04076	0.7
161.04512	4.9
162.01912	0.9
263.11386	4.6
267.76752	0.7
277.88910	0.7
323.13470	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	321.2443
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
52.11325	1.0
59.01269	9.5
71.01274	1.0
73.50606	1.0
78.95809	3.6
79.88369	1.1
80.26021	1.0
88.39301	0.9
91.89093	1.0
96.95928	1.7
98.19813	1.9
102.88992	1.0
115.27734	1.2
122.03699	1.6
131.30203	1.0
223.17043	9.0
224.17757	1.7
251.16536	12.3
254.06517	1.0
256.16873	2.3
267.16159	1.2
277.25595	1.4
284.16241	2.5
303.23306	7.2
321.21661	4.0
321.24435	100.0
322.24774	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	321.2442
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
54.09072	0.5
57.03342	2.9
59.01268	4.4
70.78583	1.3
71.01248	0.8
88.12501	0.5
96.58165	0.5
96.95919	0.6
97.06504	0.7
106.51472	0.5
113.09641	10.8
147.43253	0.5
173.15533	0.6
195.13914	4.3
205.15961	1.2
207.13921	2.0
223.17094	5.1
224.17216	0.9
238.99051	0.6
277.25388	1.7
303.23471	0.8
321.24426	100.0
322.24725	10.8
322.28146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.094
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
58.00475	3.4
59.01266	100.0
60.01593	2.2
69.43542	1.5
69.60710	12.4
71.00896	3.2
71.01272	51.9
72.99187	5.0
83.01267	3.4
85.02843	10.7
87.00775	1.9
89.02343	46.5
94.06558	1.7
95.01286	3.1
96.95901	3.1
98.19778	1.8
101.02345	28.6
113.02356	19.8
116.04979	38.3
119.03425	18.8
135.04431	1.4
137.67931	1.6
143.03488	2.5
160.03995	62.3
161.04462	5.0
179.05536	3.9
186.27805	1.9
202.05093	25.6
211.71451	1.7
232.06137	4.1
240.75352	1.6
262.07245	42.2
263.07571	2.3
322.09402	59.0
323.09723	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	322.2032
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03326	0.5
58.02863	2.3
59.01260	1.9
61.98687	0.2
63.86010	0.2
69.03340	0.3
69.98885	0.2
70.75992	0.7
70.76324	0.2
71.01279	0.4
71.04915	0.3
71.10484	0.2
73.73024	0.2
80.02589	0.3
81.03382	0.5
83.04916	0.8
94.45026	0.3
95.04943	0.9
96.95939	0.4
97.06497	0.9
107.04948	0.4
109.06493	1.2
115.79128	0.2
117.86578	0.3
123.65755	0.3
125.09669	0.4
128.10739	7.3
129.11110	0.4
130.08669	100.0
131.09026	2.5
134.90312	0.2
135.08118	0.4
150.48450	0.2
151.11264	0.9
153.09146	0.6
155.69476	0.3
163.11302	0.4
165.12796	1.7
172.09811	0.3
179.10724	0.5
180.13408	0.2
181.12263	1.2
191.10808	0.4
197.11852	0.3
208.19769	0.2
209.11841	4.7
237.15050	0.8
243.17517	0.3
263.11377	0.3
287.16614	0.3
305.17691	3.2
322.20309	33.9
323.21078	3.4
339.15216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2078
Annotation	Rapanone
Peak:m/z	Relative Intensity
57.31408	0.7
59.01267	11.1
60.99869	0.6
70.69046	1.6
71.04916	1.5
77.75918	0.6
80.02561	0.6
83.04941	1.2
85.02922	0.6
95.01312	1.3
95.04974	2.6
97.06512	1.7
106.04169	0.9
108.02128	0.7
109.02887	1.1
109.06546	2.3
111.00839	0.6
111.04469	1.9
111.08067	1.2
115.07558	1.2
120.05737	0.7
121.02915	1.0
121.06535	2.2
122.03680	0.6
123.00798	0.6
123.08096	0.9
125.09631	0.8
127.07526	1.0
131.04961	0.8
133.10182	0.7
137.06148	0.8
137.09807	0.7
141.09172	0.7
145.06551	1.2
147.08125	1.3
148.08894	1.3
149.09669	2.3
150.10466	2.3
151.11234	2.4
154.07791	0.6
161.09682	1.1
163.11244	26.7
164.11600	1.4
165.12775	3.8
173.09769	1.2
174.10460	0.8
175.11284	1.0
176.12029	0.8
177.05612	0.6
177.09206	1.4
177.12872	2.3
179.10811	1.0
189.12842	1.8
191.14395	42.9
192.14726	3.3
193.12350	2.5
205.12335	5.4
217.15999	4.7
221.11925	1.1
227.18150	0.9
237.11368	1.1
243.17566	1.2
245.19142	32.0
246.19449	2.7
271.17139	5.8
272.17148	0.7
277.25583	0.9
287.16565	0.8
289.18170	100.0
290.18542	9.8
307.19080	1.5
311.68814	0.7
321.20764	70.6
322.21133	8.2
332.41714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0556
Annotation	Prekinamycin
Peak:m/z	Relative Intensity
52.67040	0.3
56.26901	0.3
59.01262	0.6
63.96117	0.6
71.01279	5.6
71.21817	0.7
73.02829	1.1
75.56075	0.4
78.98480	3.7
79.95620	5.5
80.96412	50.6
85.02844	2.5
87.00781	1.6
94.97990	10.5
96.95914	0.7
97.02848	1.3
99.00752	0.4
100.10926	0.3
101.02367	1.7
106.98022	2.5
108.02083	1.0
109.02978	0.3
116.97387	0.3
120.99593	0.9
122.97487	2.4
125.02361	1.7
126.98292	0.3
127.03951	1.0
132.51512	0.3
134.97514	4.5
136.99052	1.4
148.99071	4.5
152.01067	0.6
152.98587	4.8
154.01675	0.6
164.98599	8.9
167.00072	0.4
176.50278	0.3
179.55119	0.4
195.03033	0.4
204.17200	0.3
206.99681	1.7
225.00758	12.2
251.30034	0.3
317.05527	100.0
318.05865	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	321.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93582	0.7
59.01266	100.0
70.93594	1.2
70.93913	1.1
71.01284	3.5
89.02348	4.4
96.95931	1.5
97.09476	0.7
101.02335	1.8
113.02343	1.4
119.03425	1.7
171.06563	1.4
179.05617	0.9
191.39249	0.8
271.55219	0.7
295.46210	0.8
321.10287	1.1
338.31107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1715
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
57.03329	1.5
59.01261	4.1
69.03322	0.7
70.32533	0.5
71.01291	0.5
71.62778	0.7
83.04938	0.6
95.04943	0.9
96.95914	0.6
97.02847	0.8
97.06502	2.3
107.04943	1.1
108.02058	0.7
109.06497	1.9
110.03661	0.5
121.02868	2.0
121.06510	0.7
122.03657	8.9
123.04433	1.3
123.08085	3.8
125.09644	7.8
132.05766	0.6
133.06514	3.5
135.04440	5.5
136.01588	1.9
136.05234	10.5
137.06021	1.2
141.12788	0.9
147.04413	0.5
149.06015	5.5
150.06796	3.6
151.03917	1.5
151.07602	27.5
152.07927	1.4
153.09015	0.7
159.04469	2.4
161.09714	0.6
162.03165	1.7
163.11235	1.1
164.04663	0.6
167.10782	0.8
168.04210	0.6
174.06839	1.6
177.05537	76.5
178.05872	4.5
185.11815	10.8
186.12076	0.6
187.07643	0.7
197.11842	2.8
207.10176	3.0
209.11855	4.8
225.11368	4.1
252.10030	0.8
257.15594	0.8
259.17090	4.0
275.16611	0.8
277.18173	5.1
277.25513	0.6
278.18430	0.6
285.15045	7.6
286.15347	0.6
293.17828	0.7
303.16101	35.1
304.13303	0.7
304.16373	3.8
321.17142	100.0
322.17468	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	315.0732
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.48380	0.6
59.01268	2.0
61.49197	0.7
62.15308	0.7
69.53674	5.5
71.01267	3.3
73.02843	0.9
85.02852	1.7
95.01295	1.7
98.20521	1.5
101.02351	1.3
108.02084	66.5
108.75321	0.6
109.02883	28.4
113.02364	1.7
121.02884	1.0
151.03958	1.9
152.01100	57.7
153.01898	40.0
154.02213	1.4
163.03928	1.1
163.79529	0.8
165.01918	2.1
185.35463	0.8
195.02991	5.8
249.30212	0.7
255.05061	2.0
284.75421	0.8
292.23846	0.8
315.07300	100.0
316.07608	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	315.0731
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
55.01782	0.4
57.97257	0.4
59.01263	12.6
67.01796	0.6
68.99725	0.4
69.27387	4.1
71.01279	5.8
72.99209	1.0
73.52505	0.4
74.33375	0.4
83.01274	1.4
85.02850	1.2
87.00775	0.5
89.02333	2.4
91.01806	0.7
95.01314	1.4
98.20586	0.9
101.02344	1.8
108.02045	2.6
109.02865	34.2
110.03220	1.4
111.00784	3.3
113.02351	1.2
119.04919	0.4
123.00814	1.6
123.04450	2.1
124.00726	0.6
124.01566	3.0
125.02355	0.4
139.00342	1.0
139.03915	0.5
145.02899	0.5
149.02434	1.7
151.00307	0.4
151.04005	2.4
152.01096	19.8
153.01881	51.0
154.02222	1.8
159.04332	0.4
165.01894	1.4
167.03461	2.1
169.12364	0.5
177.01915	0.6
195.02975	77.0
196.03354	3.7
225.04150	3.3
255.05150	100.0
256.05481	6.0
259.02573	0.6
271.02545	1.0
287.02213	0.7
315.01709	2.3
315.07391	2.9
315.15939	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1096
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01260	0.7
63.25796	0.7
69.89368	3.5
72.34046	0.5
84.72929	0.6
93.97126	0.5
95.04926	0.8
96.95901	0.7
122.03638	0.8
123.04446	100.0
124.04795	2.9
133.02895	0.7
145.02916	1.0
153.05524	100.0
154.05843	3.6
161.02426	1.0
315.07669	1.8
315.11026	2.6
315.16040	5.2
316.16476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.052
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
57.77764	0.2
63.05434	0.2
65.00219	0.6
65.05505	0.2
69.27316	2.2
73.34857	0.2
83.01295	0.3
96.95923	0.2
98.20582	0.4
107.01291	0.9
108.02100	2.0
124.01543	0.2
135.00786	0.9
145.02866	0.3
147.00818	0.3
148.01604	2.5
151.00351	1.5
163.00362	1.2
164.01135	1.1
183.04471	0.3
190.99905	0.4
192.00674	0.4
198.03197	0.2
199.03990	1.1
201.01939	0.2
203.03511	0.3
211.03897	0.5
213.81265	0.2
215.03484	0.8
216.04317	0.6
226.02768	1.6
227.03510	3.0
228.04076	0.4
229.01483	0.5
243.03024	12.3
244.03540	1.2
254.02205	2.4
255.03029	29.4
256.03421	1.8
271.02542	64.7
272.02982	5.8
299.01987	1.7
300.02826	100.0
301.03171	8.1
315.05185	54.4
315.12497	0.4
315.15607	0.3
316.02371	0.1
316.05527	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	315.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.6
58.00488	0.3
59.01265	10.0
64.70084	0.3
67.01791	0.3
71.01272	7.1
71.17217	0.6
72.44407	0.3
72.99200	0.7
73.02819	0.4
83.01279	0.7
85.02842	3.6
85.68706	0.3
89.02346	4.6
91.01799	0.5
93.03366	0.4
95.01297	1.6
101.02357	2.7
108.02060	3.0
109.02868	36.1
110.03212	1.2
111.00792	1.6
113.02365	9.3
119.03429	0.6
121.02866	0.5
123.00820	1.0
123.04438	2.4
124.01585	1.0
125.02370	0.3
137.02377	0.3
139.00328	0.5
139.03946	0.8
145.02901	0.9
149.02364	0.9
151.03993	1.4
152.01100	8.0
153.01886	100.0
153.05298	1.7
154.02214	3.4
156.46216	0.3
161.02400	0.4
161.04524	0.7
163.03967	0.4
165.01913	2.9
167.03450	3.0
177.01894	2.6
178.80457	0.3
195.02982	41.7
196.03337	1.9
199.51324	0.3
207.02951	0.3
224.83617	0.3
225.04085	2.7
255.05162	20.3
256.05518	0.9
297.06204	0.8
315.07309	52.3
315.15939	1.6
316.07678	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01542	0.9
59.01281	5.6
70.04099	3.7
71.01273	1.1
93.03373	1.1
117.03341	1.4
119.04918	1.0
123.04485	1.0
133.02866	1.0
143.04955	2.5
145.02927	2.8
153.00690	1.2
153.01866	2.1
153.05524	1.0
159.04485	2.0
161.02354	2.0
161.04469	1.1
169.03029	2.1
171.04463	1.9
181.02950	1.3
186.03098	1.5
187.03992	19.8
188.04338	1.4
197.02443	4.2
199.03992	6.0
206.24136	0.9
209.02444	2.9
214.02614	2.4
215.03526	12.6
225.01944	1.8
227.03432	1.2
242.02264	11.0
243.03018	100.0
244.03384	5.9
253.01463	87.0
254.01814	5.5
269.00946	3.5
271.02542	44.5
272.02765	2.6
297.00131	1.2
315.01553	4.6
315.07190	1.3
315.16144	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	315.0518
Annotation	Pedalitin
Peak:m/z	Relative Intensity
54.71372	0.6
59.01268	2.3
63.02291	1.3
65.00216	4.2
66.78082	0.6
70.77698	0.7
71.62451	0.9
83.01286	0.8
86.15897	0.6
93.03370	1.2
95.01295	1.9
100.78895	0.6
107.01318	2.8
108.02078	1.8
110.00005	1.6
111.00782	1.2
116.49128	0.6
117.03350	2.4
119.04960	1.9
119.24535	0.6
119.84733	0.7
121.02901	0.7
123.00810	3.0
123.04454	0.9
124.01587	2.4
128.11975	0.6
132.02072	0.8
133.02881	1.8
135.00774	1.3
136.98700	1.1
137.99510	0.9
139.00291	1.3
145.02904	5.7
148.01643	2.3
151.00323	6.2
152.01108	9.4
153.05519	0.8
154.79318	0.8
155.04967	1.5
159.04443	0.7
159.28836	0.6
161.02400	2.1
163.00362	2.0
169.45299	0.7
171.04468	1.8
173.02499	1.1
174.03140	0.9
178.99840	9.7
180.00471	1.4
182.03595	0.7
183.04468	2.3
186.03224	0.9
187.03935	2.5
195.02985	5.9
195.04529	1.0
198.03191	0.9
199.04001	3.1
200.04720	1.1
206.99353	0.7
211.03926	4.3
215.03493	2.9
216.04247	1.3
217.00343	0.8
226.02750	2.0
227.03528	23.8
228.04153	3.4
229.01451	0.9
239.03467	1.5
243.03049	19.3
244.03510	2.3
254.02264	2.1
255.03032	57.5
256.03629	9.3
271.02563	59.0
271.06009	3.4
272.03168	10.5
272.06284	1.4
273.03525	0.7
283.02530	17.0
284.03296	4.9
285.03976	0.8
287.05731	2.5
299.01941	1.2
300.02823	80.7
301.03149	6.3
315.05185	100.0
315.15939	8.2
315.19354	0.9
316.05527	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	313.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02196	0.4
57.46647	0.4
59.01266	2.5
71.01269	0.9
79.05396	0.6
85.02853	0.5
89.02362	1.3
91.05410	0.5
93.03363	12.1
95.04974	0.4
101.02377	0.4
106.04174	0.4
107.04950	2.7
109.06496	1.2
111.88184	0.4
117.06989	0.5
119.04958	0.9
121.02834	0.7
121.06584	0.9
133.06505	0.7
134.19330	0.5
139.11156	0.6
145.02893	1.7
147.08124	2.8
147.11784	0.8
148.01372	1.1
175.11273	0.7
187.03896	0.7
187.11206	0.4
193.12292	0.7
195.13863	0.4
213.09035	1.1
215.06985	0.4
215.10504	1.6
217.08401	0.4
217.12080	2.9
225.16428	0.5
227.18111	2.3
229.08499	0.8
229.31987	0.5
231.09973	1.1
235.13165	0.9
243.10004	1.5
245.11649	0.5
245.19145	4.9
247.09525	3.8
249.11157	3.6
253.09341	2.4
255.03024	4.1
279.12259	2.2
283.02533	8.1
284.02756	0.9
295.16824	1.4
297.14905	1.0
298.04892	6.9
299.05249	1.1
313.07590	4.1
313.17926	100.0
314.07651	0.5
314.14969	0.6
314.18250	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
57.03334	1.2
58.00482	0.7
59.01265	4.5
59.42669	0.6
64.25968	0.7
69.03345	1.2
71.01262	1.7
71.04896	0.9
71.42601	0.9
73.02850	3.4
73.03188	0.6
78.95805	0.7
83.04919	2.1
85.06488	2.5
89.02345	0.8
96.95897	0.8
97.06490	0.8
98.03637	1.3
99.08063	2.0
101.02374	1.3
101.05986	3.5
104.84101	0.6
112.05238	1.1
113.02402	0.8
113.06001	5.0
113.09628	2.3
115.07571	30.5
116.07880	0.8
117.03391	0.8
121.02894	1.0
125.09635	2.4
127.07570	14.6
127.08459	1.1
128.07965	0.6
131.21075	0.7
139.11179	1.2
141.09146	18.6
141.12805	1.7
142.09456	0.7
145.02901	2.7
151.11270	1.1
153.12834	0.7
159.06554	1.0
163.11221	1.0
166.09923	0.6
171.10239	14.3
181.12279	0.7
185.11803	53.5
186.12167	2.6
197.11813	41.0
198.12093	1.4
199.13495	0.7
209.11824	7.5
211.13361	0.8
233.19153	2.1
253.09326	2.5
259.17178	0.8
275.09583	0.7
277.15076	0.7
277.18170	13.8
278.18729	0.7
283.02588	0.7
295.19205	32.6
296.19531	2.8
313.14468	3.1
313.20297	100.0
314.20630	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0726
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
61.13348	0.6
70.71071	0.5
70.97214	0.7
70.97555	1.2
97.46810	0.6
112.44645	0.5
151.00314	0.9
156.84427	0.5
183.04517	2.8
211.03908	2.8
227.03496	1.7
238.31650	0.6
255.03038	51.5
256.03433	3.2
283.02560	100.0
284.02893	8.6
298.04907	98.3
299.05237	9.1
313.07263	58.6
314.07596	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	313.0727
Annotation	Sylpin
Peak:m/z	Relative Intensity
50.68782	0.2
53.88202	0.2
56.97419	0.2
59.01262	0.3
62.71529	0.2
63.45829	0.2
71.34029	0.4
77.03859	0.4
82.17915	0.2
121.02877	100.0
122.03208	3.7
125.09539	0.2
145.02896	0.3
178.70674	0.2
180.05769	1.0
180.86111	0.2
181.06561	4.5
182.06929	0.4
187.09698	0.3
197.06100	0.2
225.05576	7.0
226.05952	0.6
253.09485	0.3
313.07254	18.8
314.07605	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	313.0841
Annotation	Dibenzthion
Peak:m/z	Relative Intensity
55.59589	0.3
59.01258	1.6
61.98714	0.6
65.99729	0.9
71.01250	0.5
77.62943	0.3
78.22943	0.3
78.66642	0.3
78.95827	0.4
80.29095	0.4
87.00449	0.4
95.01262	0.5
96.95907	0.9
98.20552	0.9
110.00008	0.5
116.83705	0.4
120.00832	4.9
121.02895	0.4
123.00798	1.1
124.01588	1.5
133.01636	2.2
134.02412	13.9
135.02805	0.4
145.02887	1.0
149.01135	1.7
163.02710	35.9
164.03398	2.5
178.05069	100.0
179.05415	4.1
179.42033	0.4
184.03987	0.8
198.05530	0.4
209.43425	0.4
212.03516	0.6
228.02933	2.3
242.04420	0.4
253.09348	0.6
255.05443	1.5
256.02557	3.4
259.06244	2.3
271.04974	4.4
283.02603	1.2
286.07300	83.1
287.07648	4.8
298.04892	0.6
313.08392	26.7
314.08633	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92152	0.7
57.03331	2.1
59.01261	3.9
60.01584	0.9
61.44579	0.6
61.98712	0.8
63.34735	0.6
70.86339	2.0
73.77827	0.7
74.94289	0.7
83.04919	1.0
89.02327	0.8
97.17290	0.6
99.08046	2.0
100.08480	0.8
101.02363	0.8
111.08074	1.0
113.09641	2.3
114.09978	1.6
121.02869	1.5
128.07953	0.7
129.09155	3.9
130.09480	2.5
140.11551	0.9
145.02908	1.4
151.11221	0.9
169.12326	0.7
170.12607	1.3
171.10291	1.7
172.10683	1.5
181.12378	1.3
182.12592	2.5
183.13899	1.1
184.14207	1.5
194.12662	1.8
197.11786	3.1
198.12166	6.5
199.12399	1.0
200.12646	2.0
211.13383	8.1
212.13737	12.9
227.03363	0.7
253.09467	1.6
255.03046	7.3
262.11609	0.7
276.20538	1.4
283.02588	15.4
294.21640	12.3
295.21945	1.0
298.01831	1.1
298.04922	11.9
312.22705	100.0
313.07330	8.3
313.14752	1.2
313.23059	6.2
317.69547	0.6
329.46301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0723
Annotation	3,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
56.75447	0.2
59.01258	0.5
63.81805	0.2
64.99934	0.2
65.00227	0.4
65.87462	0.2
69.32898	2.4
73.32835	0.2
90.51985	0.3
93.03392	0.4
98.19798	0.5
107.01307	0.3
117.03357	0.3
123.48399	0.2
130.89641	0.3
138.72661	0.2
145.02841	0.3
149.59433	0.3
151.00316	0.7
155.04926	0.3
159.04494	0.6
163.00455	0.3
165.01886	0.3
167.05013	0.4
182.03658	0.4
183.04501	2.6
184.04704	0.3
185.02374	0.3
187.03966	0.5
211.04002	2.7
213.01753	0.3
214.02592	0.3
226.02753	0.4
227.03540	2.3
239.03477	0.3
242.02441	0.4
253.09218	0.4
254.02444	0.3
255.03030	47.1
256.03369	3.6
267.10382	0.2
269.04565	0.3
282.01489	0.4
283.02548	100.0
284.02869	6.8
298.04895	82.7
298.11938	0.7
299.02380	0.2
299.05237	6.0
299.08676	0.4
313.07248	48.9
314.04135	0.2
314.07562	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	311.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.3
59.01255	1.6
66.35388	0.4
69.03331	0.6
69.43817	3.8
83.04903	0.8
83.12267	0.4
83.75668	0.4
89.02185	0.5
97.06507	0.5
99.08063	4.0
111.08063	0.9
113.09632	4.1
127.07533	0.5
129.09140	8.7
135.08066	0.5
139.11191	0.8
141.09161	0.5
151.11247	1.4
153.12807	0.8
155.10675	0.5
163.11134	0.4
167.10657	0.5
167.14384	0.6
169.12277	3.2
177.12866	0.5
177.71292	0.5
181.12299	6.4
183.13916	3.0
193.12393	2.0
197.11838	11.1
198.12234	0.6
199.13371	5.8
211.13400	21.3
212.13722	1.2
249.22171	0.5
275.20175	1.2
293.21326	14.6
294.21576	1.5
303.64706	0.5
311.22366	100.0
312.22699	10.2
312.26157	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	0.3
70.11757	1.7
88.30501	0.3
97.06467	0.5
99.08067	0.7
106.38314	0.3
113.09638	1.1
115.07555	1.4
127.07567	0.7
128.08360	1.3
147.53923	0.3
167.14392	4.9
183.13904	2.7
195.13905	12.3
196.14235	1.1
211.13377	1.4
213.15054	2.1
229.14578	0.4
239.23694	0.3
242.15312	1.2
245.84085	0.3
249.22258	0.9
265.21750	0.9
267.23349	0.9
275.20197	0.5
283.22906	0.4
293.21307	8.9
294.21625	0.7
311.22363	100.0
312.22708	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.1
65.14825	0.6
69.24472	5.7
75.91550	0.6
97.82681	0.6
102.73248	0.7
111.08062	0.7
127.11237	1.1
129.09140	1.9
140.65771	0.6
141.09203	0.8
142.09860	1.0
153.12848	3.1
169.12289	2.5
181.12303	13.1
197.11847	0.9
199.13390	2.0
228.13725	1.3
265.21790	1.0
267.23196	0.9
275.20279	0.7
276.08456	0.6
290.84067	0.7
293.21295	8.8
311.22363	100.0
312.22687	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	312.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.8
62.00206	0.4
69.53125	3.4
75.62080	0.4
93.49875	0.4
104.02932	0.4
110.73832	0.4
114.83311	0.4
121.32140	0.4
145.02849	0.8
158.03700	0.8
158.98549	0.4
161.02470	0.8
169.02913	0.8
170.03696	1.6
173.02437	0.5
174.03171	1.3
185.02394	1.0
186.03215	3.2
187.03891	0.5
189.01849	0.7
197.02391	5.6
198.03201	13.7
199.03575	1.1
200.04750	0.6
201.02029	0.6
202.02740	0.7
213.01994	0.8
214.02693	2.9
225.01917	6.4
226.02727	58.3
227.03040	3.9
229.01427	2.6
241.05118	2.0
242.02209	2.3
253.01399	2.2
257.00873	0.9
257.04568	1.4
285.04123	100.0
286.04474	8.3
294.04056	0.9
312.04980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95533	0.7
57.03329	1.5
58.00499	1.5
59.01266	2.2
71.20430	1.5
74.33405	0.6
84.87122	0.6
88.67427	0.8
99.08069	4.6
111.08073	1.2
113.09662	5.3
127.07551	1.1
129.09138	11.8
151.11240	0.8
153.12901	1.2
157.57770	0.8
163.11267	1.0
165.12743	1.3
167.10686	0.9
169.12277	3.6
175.24623	0.8
181.12329	9.0
181.86359	0.7
183.13881	4.3
193.12346	2.8
195.13818	0.8
197.11824	9.8
199.13393	5.2
211.13383	25.9
212.13716	1.3
220.81467	0.8
275.20255	1.4
293.21289	16.5
294.21790	1.6
311.22366	100.0
312.22711	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.1
59.01262	4.7
69.03328	0.8
71.54974	0.8
76.95915	0.7
83.04907	0.8
90.10274	0.7
97.06470	0.8
97.32471	0.9
99.08062	3.2
99.38524	0.7
109.22319	0.8
111.08046	1.0
113.09647	3.0
114.27840	0.6
125.09664	0.8
127.07642	0.9
129.09167	6.3
129.44824	0.7
136.63152	0.7
139.11172	1.2
151.91183	0.6
155.10670	1.0
167.10605	0.8
169.12347	2.1
171.10239	2.5
181.12291	4.7
183.13876	2.9
193.12355	2.0
195.13896	1.1
197.11833	6.7
198.12129	2.1
199.13425	2.6
211.13408	17.2
212.13741	1.3
226.52945	0.7
249.22318	1.8
293.21313	24.3
294.21625	1.6
300.18973	0.7
311.22363	100.0
312.22714	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	311.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.8
59.01278	1.2
62.48330	0.3
64.37919	0.4
70.59098	1.6
71.04929	0.7
73.28072	0.3
73.64219	0.4
75.76192	0.3
95.34023	0.4
96.24675	0.4
97.06497	0.4
99.08083	0.9
113.09663	1.5
125.09667	2.0
127.11223	0.7
129.09135	2.3
139.11255	1.8
150.10451	0.7
153.12843	1.0
163.11253	4.3
165.12820	1.4
167.10757	1.0
167.14391	1.5
168.11519	1.6
169.12314	0.6
171.10278	0.9
181.12314	1.9
182.13054	0.8
183.13873	0.7
192.30417	0.4
195.13959	1.4
197.11809	1.8
199.13374	0.9
211.13420	3.7
212.13846	0.5
216.59111	0.4
249.22330	4.2
267.23346	0.4
290.96780	0.4
293.21310	66.7
294.21652	6.6
311.22351	100.0
312.22702	11.2
312.26135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.2
59.01262	1.7
70.86440	1.0
71.01293	0.4
71.04893	0.6
83.04903	1.0
94.39543	0.4
97.02868	0.8
97.06470	0.5
99.08047	2.3
111.08115	0.6
113.09621	2.6
121.10152	1.2
123.08095	0.6
127.11236	0.7
129.09157	2.9
135.77516	0.5
137.09662	0.6
139.10274	0.4
139.11179	2.4
151.11237	0.5
153.12764	0.5
155.10814	0.5
157.70030	0.4
163.11217	0.7
165.12819	0.7
167.10782	0.6
167.14429	1.2
169.12302	1.5
171.10245	11.0
177.12770	0.5
181.12277	2.6
183.10327	0.6
183.13878	1.3
185.11824	0.9
193.12303	4.7
195.13881	1.8
197.11827	5.7
199.13359	3.2
209.11803	0.5
211.13408	11.4
212.13753	0.6
249.22237	1.0
275.20233	0.8
293.21304	18.2
294.21652	2.2
311.22363	100.0
312.22684	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	311.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39339	0.8
59.01265	100.0
60.01577	1.4
71.01273	9.3
71.24281	1.7
73.02837	3.3
83.37859	0.8
85.02854	3.1
89.02351	2.5
89.48525	0.9
99.00774	1.5
101.02338	8.7
103.05581	0.8
113.02372	2.6
149.05984	1.0
161.04533	7.5
251.11382	23.0
252.11839	1.9
252.81332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1873
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
52.57771	0.8
53.76320	0.9
54.21200	1.0
55.01777	1.2
57.03337	1.0
59.01265	24.8
69.26536	10.4
71.01269	8.3
71.04919	1.1
72.02064	1.4
73.02830	2.4
80.02551	1.4
80.42613	1.0
81.03340	3.3
83.04921	4.9
84.02065	3.1
85.02865	1.9
85.06477	5.7
95.01262	1.1
95.04928	2.5
97.06561	1.9
98.20528	1.8
101.06023	1.6
109.02841	1.6
111.08073	4.6
112.11001	0.9
113.06002	15.9
121.06506	2.7
123.00803	1.1
123.08061	1.4
125.06029	5.2
125.09634	3.1
127.07560	2.5
139.07578	14.1
140.07863	0.9
141.09132	4.1
149.06044	3.0
158.26172	0.8
159.19490	0.9
161.04453	1.5
163.11247	2.8
164.08403	2.7
165.12801	1.7
171.10229	14.6
185.11810	16.8
186.12024	1.2
188.12282	1.0
191.10814	1.6
197.11813	19.8
198.12228	1.5
207.10378	1.4
209.11823	72.3
210.12181	3.4
219.10063	2.1
225.15120	1.4
231.17580	3.4
238.12086	6.6
251.11513	3.4
255.12463	1.3
256.13284	3.6
275.16632	8.6
293.17661	100.0
294.17984	8.4
311.18729	44.9
311.22064	2.5
311.26077	1.2
311.29535	2.3
312.19019	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2025
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.97647	0.2
55.63039	0.2
59.01266	2.4
71.11036	0.4
71.11353	0.3
78.16129	0.2
101.02314	0.3
133.06525	2.4
141.96999	0.2
143.24445	0.2
149.09665	100.0
150.09981	4.7
183.01180	3.7
184.01878	0.3
216.00986	0.3
251.11426	0.4
265.59299	0.2
293.21432	0.4
310.64651	0.2
311.16956	6.7
311.20145	60.7
312.17145	0.8
312.20502	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	310.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66126	0.4
59.01268	3.7
68.48493	0.4
70.08402	0.9
70.08813	1.9
71.01290	0.7
93.03365	0.8
101.02348	0.5
121.02876	26.5
122.03221	1.3
136.01614	0.6
146.02429	0.8
147.03215	0.7
148.03990	100.0
148.58026	0.5
149.04329	3.7
149.05995	0.5
160.04008	0.8
199.54916	0.5
310.09433	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	310.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	88.5
61.96556	4.2
71.01270	41.3
71.09834	8.5
71.10168	5.1
77.69349	4.1
84.23912	5.2
84.45438	4.6
85.02885	7.9
87.00790	5.9
89.02332	54.9
101.02348	20.1
113.02373	19.0
119.03445	22.5
121.02894	27.8
143.03394	6.4
146.02383	9.6
148.03989	100.0
160.03972	9.7
161.84258	5.1
162.01932	4.5
162.07149	4.5
175.04224	4.6
179.05609	12.3
216.62427	4.3
251.11086	5.2
310.09348	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15997	3.2
56.28665	3.6
59.01271	100.0
69.03351	4.6
70.02636	11.5
70.03040	8.6
71.01274	32.5
72.99195	6.9
73.02839	5.2
85.02839	4.3
89.02334	28.6
98.20036	6.6
101.02368	18.5
108.05612	3.3
113.02377	9.7
119.03452	9.3
126.98110	4.1
149.05998	5.2
206.80666	3.7
219.62354	3.5
221.07582	3.1
245.57121	3.3
251.11377	9.5
285.16522	3.5
311.10019	27.1
311.22595	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1147
Annotation	Manglieside A
Peak:m/z	Relative Intensity
51.07174	0.2
59.01266	4.7
61.98717	0.4
69.39589	0.4
69.39989	1.5
71.01276	0.8
73.02842	2.5
73.28387	0.2
82.71085	0.2
83.01292	0.4
96.95923	0.5
100.01566	0.4
101.02386	0.5
108.02097	0.6
113.02320	0.3
115.99521	0.2
121.02871	0.3
122.03641	0.5
130.93088	0.2
131.04915	0.3
137.02335	0.3
147.04495	1.2
148.05234	1.5
149.06029	100.0
150.06367	4.8
161.04573	0.3
175.02376	0.3
209.08163	1.6
237.07712	0.5
251.11426	1.1
291.73785	0.2
304.34122	0.2
311.05777	0.2
311.11624	1.3
311.22397	0.6
311.29675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
66.22599	1.0
70.65021	3.5
71.01266	8.6
73.02866	1.9
77.67732	0.9
81.48502	1.1
85.02847	3.7
89.02380	1.3
97.03226	1.0
101.02356	7.1
102.22246	1.1
113.02357	4.5
149.06052	1.6
161.04486	8.5
243.84669	1.1
251.11415	26.3
293.21301	1.0
311.22388	2.3
311.29675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	17.5
59.01265	6.4
64.15203	1.2
69.03354	3.0
70.10599	6.4
71.01266	11.8
71.04868	1.8
72.27703	1.5
80.02560	3.1
82.91357	1.5
83.04926	5.2
83.91554	1.3
95.04941	2.9
97.06500	6.0
98.31126	1.4
111.08067	8.0
113.09659	9.3
125.09657	2.3
127.11202	2.6
139.11244	2.6
141.87022	1.5
147.11752	2.2
149.09554	2.6
151.07698	1.5
151.11230	36.1
153.12793	4.4
163.11195	4.6
165.12807	32.5
166.13066	1.5
167.10735	4.3
179.10757	9.7
179.14381	2.0
181.12297	38.6
182.12621	1.8
191.10759	15.9
193.15901	1.8
195.10272	1.8
195.13849	2.2
197.11824	2.2
209.11829	100.0
210.12122	6.6
211.13324	6.7
247.20749	11.6
263.20239	4.4
265.21820	7.1
273.18668	1.8
281.21320	6.3
291.19757	35.3
292.20084	3.8
309.20779	43.5
310.21127	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
57.03339	19.3
59.01270	6.7
69.03339	3.5
69.43348	8.9
71.01271	12.2
71.04897	1.2
80.02543	2.8
83.04922	7.0
95.04925	3.5
97.06494	7.1
107.04910	1.4
109.06488	1.8
111.08065	7.4
113.09636	12.7
123.08083	2.5
125.09638	1.6
129.19305	1.0
139.11177	3.3
141.09109	1.8
147.11771	1.6
149.09622	3.0
151.11229	37.9
152.11597	1.9
153.09081	1.2
153.12762	4.0
155.10670	1.4
163.11244	5.8
165.12813	37.0
166.13161	2.3
167.10733	3.4
173.09668	1.8
177.09291	1.3
179.10718	9.9
179.14352	2.5
180.11102	1.0
181.12303	49.1
182.12646	3.2
186.21959	1.0
191.10754	17.0
193.12280	1.4
193.16017	2.5
195.10251	1.4
197.11765	3.7
209.11829	100.0
210.12125	4.6
211.13374	9.7
226.82486	1.4
227.12889	2.9
247.20708	12.8
263.20215	4.2
265.21732	6.3
273.18753	2.6
281.21271	7.1
291.19736	41.5
292.20105	2.9
304.46286	1.0
309.17499	2.7
309.20767	67.2
310.21146	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	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04295	0.3
57.03323	0.6
59.01266	1.1
62.41307	0.4
69.86970	1.7
71.01283	0.5
97.06490	2.0
98.20493	0.7
106.04144	0.5
109.06466	0.4
111.08059	0.6
113.09618	2.6
115.07591	1.8
121.10161	0.4
125.06003	1.0
126.06820	0.7
135.29776	0.3
139.11250	0.6
141.09131	1.8
142.55035	0.4
151.11229	0.4
165.12784	3.2
167.10748	1.0
167.14386	1.5
181.12289	2.9
183.13869	1.4
190.98964	0.5
193.12329	1.9
193.15953	0.9
195.13947	1.7
197.11751	0.4
197.85483	0.4
211.13367	3.3
213.15048	0.4
221.15471	1.5
229.14410	0.5
240.13715	1.7
241.14366	0.7
247.20714	2.9
248.21010	0.4
263.20087	0.8
265.21695	0.6
273.18817	2.3
281.21280	1.8
282.73129	0.5
291.19748	40.4
292.20013	2.3
303.84808	0.4
309.20801	100.0
310.21143	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	309.208
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.82296	0.4
57.03334	0.5
59.01270	0.8
70.86385	1.1
71.01280	0.6
80.02566	0.4
80.50577	0.4
83.04923	0.6
86.41952	0.4
109.06535	0.9
111.08057	3.2
117.03390	0.4
121.06601	0.3
123.08068	0.4
125.09637	0.7
127.11217	2.1
137.09651	0.6
141.09157	0.4
143.25546	0.4
151.11247	0.9
153.09198	0.7
153.12776	4.7
155.10774	2.0
165.12811	0.9
167.10727	1.9
169.12309	0.7
177.12756	0.5
179.10770	0.9
179.14417	2.6
181.12305	4.5
184.89326	0.5
193.16034	1.0
197.11806	4.4
199.13422	1.5
207.13904	2.4
211.94061	0.4
215.12970	1.0
217.15889	0.6
226.12114	0.7
227.12883	0.7
228.13708	0.8
247.20697	4.7
263.20319	0.5
265.21826	1.0
273.18713	2.8
281.21298	2.5
291.19739	36.7
292.20081	3.0
309.20798	100.0
310.21146	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	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10019	1.2
55.01760	1.7
57.03332	2.9
59.01259	4.5
69.03347	1.4
70.06115	1.1
70.11616	1.8
70.12039	3.7
71.04920	1.4
80.02580	2.2
81.03355	4.5
83.01271	12.2
83.04923	4.7
95.04898	2.2
97.02849	2.3
97.06491	4.8
98.03629	2.1
98.19878	1.6
109.06527	1.4
110.03640	1.2
113.09657	1.2
123.04404	2.2
123.08074	3.9
125.05986	2.3
125.09632	12.7
127.11179	1.4
135.08075	1.6
138.46587	1.2
139.11212	12.8
141.09216	1.9
149.09668	1.3
162.10492	1.4
163.11264	8.5
165.12816	19.0
167.09497	1.2
167.10727	7.2
167.14604	1.3
168.11491	1.3
180.25117	1.2
181.12325	3.5
183.13875	3.2
191.10744	5.1
193.15956	6.7
207.10309	1.4
209.11838	71.7
210.12132	4.6
211.13474	1.5
225.11380	1.2
238.73335	1.4
247.20697	14.6
265.21750	5.2
273.18649	5.3
281.21359	2.8
291.19739	100.0
292.20065	8.7
309.17276	2.1
309.20792	40.0
310.21005	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20525	0.5
56.41342	0.4
57.03318	1.5
59.01244	0.5
71.04910	0.7
71.30368	1.2
80.02579	0.8
81.03336	0.8
82.05429	0.4
83.04852	0.5
87.64686	0.5
89.44102	0.5
97.02853	0.8
97.06495	0.8
98.03654	0.6
103.69939	0.4
106.42883	0.4
109.06487	0.8
110.03623	0.4
111.28653	0.5
123.04398	0.7
123.08032	1.2
125.06052	0.6
125.09655	2.4
128.55336	0.5
137.09616	0.9
141.12750	1.2
152.08426	0.5
153.12775	0.8
155.60149	0.4
161.09669	0.6
162.10428	0.8
163.11263	4.9
165.09178	1.2
165.12796	7.9
166.09969	0.7
166.13116	0.6
167.14323	0.7
175.11188	0.5
177.12787	0.9
179.14377	3.2
181.12270	1.9
182.12682	0.5
185.11749	1.1
193.15982	2.2
197.11826	0.6
199.15471	0.5
209.11844	1.9
209.15480	0.8
223.13316	2.8
247.20720	8.0
248.21069	1.0
273.18613	1.7
291.19739	100.0
292.20099	7.2
309.20792	96.6
310.21115	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51538	0.9
56.37436	0.7
57.03329	1.8
58.48068	0.8
59.01282	1.8
62.59658	0.9
64.70866	0.8
69.03356	3.8
70.55329	3.0
71.04911	1.4
81.03372	1.0
83.04913	2.2
86.14185	0.8
95.04958	0.9
97.02852	20.9
97.06489	3.1
109.06471	0.9
111.08114	1.0
111.32961	0.8
113.09620	1.7
119.08598	1.6
123.04401	1.0
125.09626	3.3
127.01814	0.8
127.11204	1.1
137.09644	3.6
139.11247	1.0
141.09146	1.2
151.11327	0.9
153.12860	0.8
157.89609	0.7
163.11224	3.4
165.12811	8.6
166.09926	0.8
167.10721	1.2
167.14444	1.1
169.12363	0.8
170.70558	0.7
171.10239	8.8
177.12796	1.1
179.14421	2.2
181.12297	4.0
183.13885	1.4
185.11848	0.9
193.12296	2.0
193.15945	1.8
195.13934	1.1
209.11836	4.6
209.15331	0.8
211.13362	3.9
221.11829	1.3
223.13409	1.5
227.12929	6.1
239.13278	0.9
247.20720	9.7
248.21123	1.0
273.18695	4.7
281.20981	0.8
291.19742	100.0
292.20062	8.5
309.20786	95.4
310.21094	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70298	1.0
57.03323	1.0
58.00492	1.2
69.80804	5.0
76.66981	1.0
79.49792	1.1
82.70461	1.0
83.04897	1.3
85.11719	1.0
87.88371	1.1
88.04353	1.0
91.44424	1.1
111.08072	27.5
111.33200	1.1
121.04730	1.1
153.12790	1.2
169.12303	5.2
181.12325	3.1
187.45424	1.1
197.11821	100.0
198.12134	2.5
199.13451	3.7
209.15506	1.3
211.13440	9.4
227.12886	3.0
245.76401	1.2
263.20178	4.5
265.18100	2.9
273.18622	2.3
291.19760	31.9
292.20245	1.2
309.20789	79.4
310.21167	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	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87317	0.7
57.03337	1.2
58.00498	1.4
59.01257	2.1
69.03333	1.3
71.58318	1.1
73.02832	1.4
76.73669	0.6
83.04921	0.9
93.07017	0.7
97.06479	0.8
107.31017	0.6
109.06528	1.4
111.08077	30.5
112.08426	1.7
127.07570	2.7
132.48837	0.6
151.11188	1.4
153.09134	0.7
153.12817	1.8
165.77487	0.6
169.12297	7.4
179.10768	0.8
181.12317	2.8
183.13857	1.7
193.12352	0.9
197.11826	100.0
198.12213	6.5
199.13408	4.0
211.13402	12.1
227.12900	2.1
263.20175	5.9
265.18188	1.5
269.07126	0.7
273.18710	2.2
291.19751	18.6
291.52512	0.6
292.20059	2.3
309.20807	36.4
310.21140	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
59.01270	3.0
61.98713	0.8
69.11387	0.4
70.59081	1.5
71.01263	0.6
71.04934	2.1
74.80640	0.5
76.58987	0.5
80.93058	0.5
83.04916	1.4
95.04937	0.5
96.95913	1.2
97.06486	1.3
109.61304	0.5
111.08080	2.7
124.50829	0.4
125.09638	0.5
127.07663	0.4
137.09642	0.6
153.12782	0.8
163.11212	1.5
165.12810	3.0
167.10745	0.7
171.10225	1.4
179.14331	0.7
179.43103	0.5
181.12274	1.4
183.13895	1.6
195.13832	0.5
197.11827	5.9
198.50073	0.4
207.17574	0.5
209.11835	0.4
211.13374	1.9
219.10703	0.4
223.13396	0.5
225.14980	1.9
233.15448	0.5
237.14977	1.9
247.20746	2.4
249.15013	0.6
251.16585	5.3
273.18628	1.3
289.18286	0.7
291.19742	25.0
292.20126	2.5
306.59064	0.4
309.20792	100.0
310.21106	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	309.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68846	0.3
57.03327	1.5
59.01263	1.2
63.41570	0.3
67.01772	0.5
69.03337	0.5
69.25476	3.5
69.79053	0.3
71.01275	0.3
71.04916	7.9
73.36420	0.4
83.04924	1.6
85.06471	0.4
97.06525	0.6
111.08076	0.7
153.12741	0.6
165.12822	1.9
167.10652	0.5
171.10185	0.5
181.12326	0.5
183.13838	0.9
193.15985	0.4
197.11810	1.0
209.86391	0.4
215.12617	0.4
221.15480	0.5
225.14958	4.0
237.14984	3.4
247.20656	0.9
251.16605	5.5
273.18924	0.4
291.19745	8.7
292.20078	0.9
309.20792	100.0
310.21161	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	309.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30843	1.0
57.03322	1.4
58.25759	1.0
59.01254	3.5
64.47195	1.2
69.03352	1.3
69.81387	2.9
69.81800	4.0
71.01289	1.0
71.04913	5.8
73.02834	1.2
83.23200	1.0
85.02867	1.4
87.04419	1.7
93.06974	1.3
97.06492	4.0
98.64126	1.2
121.10142	3.4
125.09655	2.9
181.49184	1.3
185.11826	3.9
185.32617	1.1
195.13892	10.5
197.11835	1.9
207.13934	3.9
207.17549	6.6
209.11755	1.2
211.13380	23.9
221.15495	5.3
223.17029	23.9
224.17436	1.6
229.19444	1.6
233.15514	13.6
234.15802	1.3
235.17036	2.4
251.16566	91.9
252.16893	6.3
273.18832	2.6
291.19748	53.5
292.20090	4.6
293.65652	1.2
309.20792	100.0
310.21121	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34253	0.8
57.03326	2.0
59.01271	5.3
62.52850	0.9
71.01342	3.1
76.62338	0.9
83.04928	1.0
85.02837	1.1
89.94584	0.8
97.06482	1.2
98.03651	1.9
107.04940	1.7
107.08615	1.1
108.02081	0.7
109.06498	2.9
111.08080	2.3
121.06491	1.2
123.08080	1.7
125.09637	2.9
127.11231	0.9
127.66111	0.9
135.08067	1.6
137.06033	1.4
137.09631	1.9
141.09224	1.6
149.09682	2.2
151.03900	0.9
151.11211	3.3
153.09128	2.9
155.10738	7.4
160.05139	0.9
161.04558	1.7
163.11267	3.2
165.12833	1.8
166.09987	1.2
167.10744	3.0
168.11543	1.2
169.12292	2.3
177.12793	2.2
179.10735	1.7
181.12274	2.7
185.11815	1.8
191.14417	6.7
195.10216	1.2
195.14070	0.8
197.11813	2.4
205.12279	2.5
209.11894	3.9
217.16002	1.1
224.10594	2.0
225.11226	1.2
226.12219	1.6
235.20818	1.1
239.09314	3.5
245.19141	28.1
246.19594	1.2
263.20169	5.4
271.14185	1.0
271.17035	1.3
279.19681	1.5
289.18167	41.5
290.18512	3.8
290.24451	0.8
296.45670	0.8
307.19235	100.0
308.19513	7.1
314.86917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1924
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
50.56982	1.0
57.03326	1.9
59.01265	10.1
71.01274	2.7
71.38678	2.7
74.98972	2.2
81.03344	1.3
93.00053	1.4
97.02857	1.4
97.06512	2.8
109.06485	3.5
111.08088	2.2
112.55466	1.0
113.65476	1.3
123.04417	2.0
125.09671	3.6
125.58681	1.3
126.16587	1.1
137.09694	1.9
145.22287	1.3
149.09727	2.4
151.11220	3.7
153.09259	2.3
155.10719	6.0
159.08405	5.7
161.04491	3.0
163.11263	3.1
167.10686	2.5
169.12315	1.5
177.12856	2.9
179.10760	1.6
181.12280	2.1
191.14363	8.2
205.12338	1.9
207.10229	1.7
209.11862	5.9
211.13510	1.9
223.02856	30.9
224.02855	3.2
224.10599	1.3
225.11290	1.8
239.09320	3.5
239.73598	1.3
243.17703	1.3
245.19116	22.8
247.86444	1.1
257.68906	1.4
263.20184	4.6
271.17230	1.8
279.19794	2.8
289.18173	43.9
290.18463	2.5
291.09186	63.5
292.09354	7.4
307.19244	100.0
308.19565	6.9
309.10309	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2289
Annotation	Isolinderanolide B
Peak:m/z	Relative Intensity
51.32886	0.3
59.01258	1.1
69.20664	3.8
71.01268	0.5
79.33819	0.3
86.18464	0.4
96.95894	0.9
101.32256	0.4
108.93600	0.3
195.64989	0.4
209.11870	0.5
209.15497	0.4
222.08325	0.3
245.19228	0.4
289.18073	0.9
307.22867	100.0
308.23206	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	309.208
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.59707	0.5
57.03326	1.3
59.01265	6.7
62.35655	0.5
63.54470	0.5
71.01246	1.0
71.62441	0.7
73.02791	0.5
78.18317	0.5
80.81540	0.5
83.04906	0.8
91.98618	0.5
92.31616	0.5
95.04901	0.6
96.95895	0.7
97.02857	0.8
97.06472	2.3
98.03634	0.6
106.04159	0.6
110.03663	0.6
111.08096	0.9
113.09614	2.4
115.07555	1.9
116.07111	1.3
125.06009	1.1
125.09655	0.7
135.07986	0.5
139.11205	0.9
141.09114	1.8
149.09631	0.9
154.09962	0.6
159.77385	0.5
161.04424	0.7
163.11264	1.5
165.12781	5.5
167.10786	1.1
167.14368	1.6
177.12874	0.8
179.14445	1.1
181.12323	3.2
183.13893	0.8
185.11806	0.8
189.12834	0.9
193.12378	1.7
193.15948	1.5
195.13873	1.6
209.11787	1.6
211.13368	3.4
221.15498	1.1
223.13446	0.6
229.14459	0.9
233.11942	1.2
240.13698	1.9
247.20717	5.0
248.21008	0.6
263.20413	0.9
265.21942	0.8
273.18600	2.7
277.10693	0.6
278.03470	0.5
281.21246	1.1
291.19733	50.2
292.20047	5.7
309.20782	100.0
310.21082	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	307.1923
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
53.82885	0.9
57.03331	2.4
59.01263	11.4
59.77230	0.9
71.01266	3.5
73.02837	1.0
80.02528	0.9
81.03363	1.0
83.04913	1.8
85.02814	1.8
90.46987	0.9
91.02100	1.1
93.00050	1.2
95.04912	1.2
96.95906	1.0
97.06496	1.2
98.03645	1.1
98.20564	1.9
107.04888	1.2
107.34186	0.8
109.06496	2.5
111.08067	2.0
123.04404	1.1
123.08010	1.1
124.05229	1.5
125.09640	3.3
127.11169	1.7
135.04424	1.2
137.02423	1.0
137.06046	1.1
137.09686	1.9
138.06770	1.1
141.09157	1.9
149.09622	2.2
151.11180	4.5
153.09181	2.5
153.12761	1.6
155.10713	8.4
161.04468	2.1
163.11234	2.8
165.12802	1.5
166.09903	1.7
167.10722	1.9
169.12294	1.6
177.12830	1.9
179.10693	1.5
181.12283	2.8
185.11832	2.1
191.14365	6.5
195.10109	1.4
197.11899	1.1
205.12314	3.2
205.16005	1.1
207.10156	1.1
209.11841	3.4
223.02846	4.1
224.10529	1.4
235.20770	1.1
239.09341	3.4
245.19130	24.5
246.19411	3.1
251.20100	1.4
263.20227	6.1
271.17102	2.2
279.19745	3.3
289.18167	41.4
290.18536	3.3
291.09216	7.9
307.01288	1.0
307.10376	2.7
307.19226	100.0
308.19571	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	307.1923
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03334	2.8
59.01272	5.7
65.03857	5.4
69.03349	2.0
69.53664	1.5
69.54079	7.9
70.89336	1.0
71.01286	1.6
71.04911	3.2
79.05421	3.0
79.62508	1.1
80.02566	2.5
83.04915	4.7
84.96096	0.9
85.14745	1.0
93.03365	26.6
95.04961	1.8
97.06470	9.3
106.04162	2.9
107.04948	1.4
107.08602	1.3
109.06477	1.9
111.04426	2.8
111.08070	1.2
117.07021	20.7
119.04980	5.0
119.08592	27.4
120.05736	3.4
120.08943	1.7
121.06522	6.4
123.08074	1.5
125.09647	16.3
127.11246	1.2
133.06532	5.6
135.08089	100.0
136.08427	3.5
137.09674	2.9
151.11264	1.6
153.09218	1.2
155.10728	2.2
161.04431	1.2
163.11247	1.4
171.10229	79.8
172.10573	3.6
185.11821	7.6
191.14407	2.7
202.22447	1.0
209.11838	13.7
211.13416	2.0
224.10509	1.3
235.13408	7.3
245.19174	9.7
246.19339	1.1
249.14925	1.0
252.13742	2.2
261.18765	1.4
263.20322	3.5
271.17105	4.8
277.06442	1.1
279.19769	7.4
289.18173	81.5
290.18515	5.9
307.19226	69.5
308.19592	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	307.1923
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03325	3.2
59.01258	3.4
69.95949	1.5
69.96368	3.6
71.04895	1.2
77.50890	0.8
81.03346	2.6
84.69280	0.8
95.04942	1.7
97.02846	1.8
97.06508	1.8
106.04165	1.8
109.06526	1.7
121.06508	1.4
123.04442	5.4
123.08041	1.4
125.09658	6.9
135.08072	2.0
137.09668	6.9
141.12825	2.3
148.96396	0.9
149.06078	1.1
161.09576	1.4
163.07599	2.7
163.11230	8.4
164.29884	0.9
168.23543	0.9
171.10268	1.4
171.22340	0.8
177.12842	1.3
179.10759	1.9
181.12317	2.6
185.11821	15.0
189.12758	0.9
191.14401	15.7
207.10283	8.7
217.15988	1.3
225.11351	8.9
226.11885	1.5
243.17485	1.1
245.19176	30.9
247.17087	1.7
271.17142	2.9
287.16168	0.9
289.18182	100.0
290.18533	6.5
307.19247	49.9
308.19696	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1923
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03358	1.2
59.01259	4.3
69.81644	1.7
69.82059	3.3
71.01285	1.2
81.03348	0.9
83.04908	1.8
84.39387	1.0
97.06496	1.3
98.03650	1.4
107.08604	1.2
109.06490	3.1
111.08089	1.6
113.05955	1.0
116.27892	0.9
121.06503	1.1
123.08082	1.1
125.09668	3.2
127.07488	1.8
127.11187	1.1
138.06847	1.5
149.09685	2.3
151.11246	3.7
153.09161	3.3
155.10741	7.4
163.11272	1.1
166.09996	1.2
167.10704	2.6
169.12291	1.8
177.12842	2.1
179.10753	2.1
181.12355	1.3
191.14368	5.1
195.10326	1.5
197.11848	1.6
205.12328	2.7
224.10519	2.1
235.20650	1.3
239.09271	2.9
245.19145	24.2
246.19478	2.1
261.18704	1.0
263.20145	5.4
271.17188	2.3
279.19696	1.6
289.18173	40.3
290.18634	2.7
307.19238	100.0
308.19482	7.8
309.73355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.4
59.01267	3.3
64.43794	1.1
69.03339	1.8
70.32154	2.1
70.32550	3.1
81.03352	2.8
83.01274	3.4
83.04910	1.7
95.04909	2.8
97.02838	2.3
97.06522	6.7
109.06503	1.6
121.10140	1.2
123.04408	6.0
123.08101	2.1
125.06015	1.4
125.09655	10.4
135.08083	2.9
137.06018	1.7
137.09666	7.2
141.12827	1.4
149.06007	1.2
160.08856	1.4
163.07605	1.7
163.11249	10.8
165.12779	2.6
181.12350	3.0
185.11812	14.2
191.10764	2.9
191.14397	19.9
207.10243	4.2
209.11832	50.7
210.12178	3.3
217.16133	2.1
225.11273	9.0
226.11963	1.8
226.71724	1.2
245.19159	48.6
246.19478	3.2
263.20184	2.8
271.17194	4.4
281.92676	1.2
289.18182	100.0
290.18561	12.8
307.19226	51.8
308.19635	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	307.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70333	1.3
50.88986	1.2
56.48896	1.5
57.03337	16.8
59.01258	9.6
69.03341	5.3
69.98257	8.7
71.01274	11.8
71.04884	2.5
80.02577	2.9
81.03350	2.3
83.04941	7.2
87.94313	1.4
93.03372	2.3
95.04929	6.0
97.06492	22.0
98.03735	1.9
98.06829	1.5
98.19848	1.8
99.89124	1.6
105.67232	1.5
106.04146	1.5
107.08562	1.9
107.98959	1.7
109.02769	1.6
109.06510	6.7
111.08071	13.9
123.04427	5.6
123.08076	2.9
125.09608	7.6
127.07516	1.3
127.11250	1.9
133.06615	2.0
133.10165	1.8
135.08083	2.8
137.02325	2.1
137.06006	2.1
137.09653	5.1
145.10208	1.5
147.11737	3.1
149.09659	5.6
151.07663	1.6
151.11238	29.3
153.09145	4.3
153.12790	3.3
155.10709	10.1
161.09590	1.7
163.11206	10.0
165.09079	1.9
165.11368	2.1
165.12804	38.8
166.13068	3.1
167.10719	6.1
169.12305	3.2
177.12802	3.9
179.10741	13.1
181.12309	45.1
182.12675	2.6
185.11841	3.1
191.10748	18.3
191.14394	11.3
197.11815	3.4
205.12340	4.0
207.10298	1.9
209.11830	100.0
210.12207	5.1
211.13393	10.8
225.11346	3.1
225.65651	1.5
227.17969	2.2
235.20659	3.1
239.09218	3.8
245.19160	45.3
246.19487	3.7
249.04863	1.7
261.18515	2.3
263.20251	12.1
271.17065	3.6
279.19638	8.4
289.18170	51.8
290.18509	5.4
307.19220	85.1
308.19547	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	307.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	16.6
59.01262	9.7
69.03339	6.7
70.65125	9.9
70.65479	4.0
71.01276	11.1
71.17769	2.7
81.03339	3.7
83.04890	7.1
95.04932	8.1
97.06480	22.4
98.03603	3.0
109.06415	3.9
111.08059	12.4
121.06624	3.0
123.04484	4.2
123.08058	3.1
125.09679	7.6
147.11749	3.2
149.09705	6.0
151.11220	30.7
153.12750	3.7
155.10709	16.6
163.11247	10.7
165.12819	31.7
167.10803	5.8
169.12434	3.1
177.12839	3.7
178.82683	2.8
179.10728	13.6
181.12318	45.8
182.12634	3.8
191.10742	24.1
191.14389	5.9
195.10329	3.9
205.12320	7.3
209.11836	88.9
210.12192	6.3
211.13396	9.8
224.10660	5.2
239.09325	5.5
245.19131	45.7
246.19426	4.3
263.20251	13.4
271.09753	3.6
271.16971	6.7
279.19720	9.8
289.18121	49.1
307.19241	100.0
308.19592	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	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99227	0.4
59.01268	2.9
66.63625	0.4
67.49665	0.3
69.60249	1.3
69.60668	1.7
71.01273	0.8
74.98969	3.9
75.96097	0.4
80.87281	0.4
83.04892	0.6
85.02873	0.5
91.02113	2.6
93.00040	3.6
97.06482	0.5
97.78780	0.5
101.02338	0.4
103.03873	0.4
137.09679	0.4
149.00877	2.3
151.11165	0.9
153.09200	0.4
155.10699	0.5
159.08417	7.3
161.04547	0.7
161.06381	2.0
165.12758	0.5
179.03201	0.5
179.60518	0.4
181.12418	0.8
185.11784	0.7
191.14355	0.8
192.98257	0.5
206.99684	1.6
209.01274	2.2
209.11838	1.8
217.07248	0.5
223.02847	49.9
224.02908	3.9
241.03882	1.3
245.19162	3.4
263.20258	0.6
275.05966	0.8
289.07727	2.1
289.18234	7.2
291.09183	100.0
292.09317	10.4
307.12573	3.9
307.19214	12.0
309.10269	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1408
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01752	1.0
55.44986	0.8
57.44839	0.7
58.00480	0.9
59.01265	34.3
71.01272	17.5
71.17601	1.0
71.17930	1.4
72.99207	1.3
81.54014	0.7
83.01318	0.9
85.02866	3.3
87.00768	1.6
89.02339	16.3
90.02723	0.8
91.26845	0.7
95.01252	0.8
97.70110	0.7
99.08058	15.1
101.02355	11.9
103.90997	0.6
113.02361	5.7
119.03424	5.6
127.07591	4.8
129.09161	1.3
141.09148	2.0
145.08644	62.8
146.08963	2.7
175.46474	0.6
187.09688	1.4
213.23672	0.7
232.00389	0.7
307.14053	100.0
307.52670	0.7
308.14404	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	307.1924
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03340	3.2
59.01270	11.3
67.05363	0.9
68.15533	0.8
69.03328	1.6
69.90710	4.6
71.01235	1.4
74.77736	0.6
80.02552	1.1
81.03362	4.0
83.04903	1.7
84.95871	0.6
85.02872	0.9
91.13248	0.8
95.04948	3.6
96.95863	0.9
97.02846	6.5
97.06484	1.7
99.04400	1.1
101.02366	1.1
106.04147	1.3
107.04974	0.8
109.06476	2.1
111.08039	1.0
121.06510	1.7
123.04451	5.6
123.08072	3.5
125.09632	5.8
135.08081	1.0
136.05232	0.8
137.06020	1.3
137.09639	5.4
141.12750	2.0
149.05997	2.1
149.09641	0.8
161.04497	2.2
162.10463	1.0
163.07545	0.9
163.11247	9.9
164.89496	0.8
165.09129	1.2
165.12846	1.1
171.10220	1.5
175.11267	1.0
176.28535	0.8
177.12857	1.4
179.03436	0.8
179.10716	2.1
181.12320	2.2
185.11804	11.4
191.14374	13.4
203.14375	0.9
207.10266	5.9
209.11821	3.1
217.15936	1.4
219.13695	0.9
225.11308	6.1
226.11945	1.1
235.13448	1.0
242.09644	0.8
243.17625	1.0
245.19138	32.7
246.19508	2.2
247.17149	1.1
263.20319	0.9
271.17032	2.7
289.18170	100.0
290.18500	7.5
307.10562	1.4
307.19223	58.4
308.19525	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.8
57.03325	1.4
59.00994	1.6
59.01268	20.9
69.51915	11.2
71.01287	1.7
71.04916	14.6
73.02840	5.4
83.04900	2.3
95.04903	2.3
97.02902	2.0
97.06483	6.1
99.04424	91.8
107.04946	2.5
107.08614	2.8
109.06505	4.4
119.04903	2.1
121.06583	3.2
123.04491	2.0
123.08092	24.6
125.05996	8.8
128.35512	1.4
135.08086	4.3
136.05244	4.3
137.05937	1.3
138.06819	2.1
141.01617	4.5
147.04449	1.4
147.08046	1.7
149.09654	9.8
158.07294	1.5
161.09674	3.6
161.13359	2.1
164.08350	1.7
167.10703	2.2
169.14195	2.1
173.09586	1.4
186.53403	1.6
189.12842	6.5
193.12328	5.5
195.13863	2.1
203.14389	2.0
205.12372	5.8
219.13925	6.3
221.15489	2.5
231.13834	3.4
243.17577	47.2
244.17978	5.5
249.15031	5.2
261.18713	2.9
263.16769	1.4
269.15601	9.7
276.13791	1.7
287.16614	85.9
288.16995	7.0
305.17664	100.0
306.17938	10.4
306.20956	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	305.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10296	1.1
57.03335	2.4
59.01269	11.3
59.54731	1.0
66.70192	1.1
71.45100	2.3
81.03321	1.4
83.04937	3.5
85.02830	1.6
93.07040	1.7
95.01301	4.0
97.02844	1.4
98.03642	2.0
107.04932	1.6
109.02893	1.9
109.06525	6.7
111.00797	1.7
112.92653	1.1
121.02882	2.4
121.06480	1.4
123.08090	2.9
124.05222	1.1
125.09665	2.6
133.06534	2.0
135.04472	2.1
135.08073	2.5
136.05229	2.6
137.05972	1.8
137.09625	1.7
139.07567	1.5
141.01620	1.7
147.08096	1.4
149.05994	1.2
149.09714	2.5
151.03961	1.5
151.07600	3.1
151.11220	4.6
153.09160	11.1
155.10703	2.5
161.09669	2.3
163.07639	1.3
166.09927	2.0
167.10689	7.3
169.12328	1.5
175.11252	2.1
177.09183	2.6
179.10786	4.4
180.76404	1.1
189.12839	9.1
195.10229	2.3
207.14009	2.9
215.14430	1.3
222.08990	2.9
223.09737	3.3
224.10504	5.2
231.13913	1.4
239.09279	9.0
243.17578	43.4
244.17836	3.9
259.17032	2.9
261.18680	13.5
269.15378	2.1
277.18234	3.2
286.80090	1.3
287.16620	33.7
288.16769	1.6
305.17679	100.0
305.21014	5.5
306.17896	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	305.2495
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
60.17801	1.9
71.43864	2.7
71.44203	2.1
76.43298	1.8
83.98995	1.8
93.42700	2.1
130.12901	2.2
134.86316	1.7
148.34308	1.7
183.70297	1.6
206.35838	2.0
215.46283	1.7
299.51559	1.8
305.24954	100.0
306.25269	8.3
321.71295	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	0.8
61.47181	0.3
70.65114	1.0
74.98975	5.1
75.96067	0.3
87.55592	0.3
91.02111	2.5
93.00031	2.1
104.83333	0.3
141.12885	0.3
149.00888	2.6
151.11206	0.7
155.10719	0.7
159.08437	6.2
160.08615	0.3
161.06355	1.6
163.11395	0.3
167.10730	0.4
181.12276	0.4
191.14430	0.5
192.98209	0.5
195.10187	0.3
203.14706	0.3
206.99658	1.7
209.01282	2.3
217.07249	0.8
223.02853	48.5
224.02893	3.4
224.10510	0.3
225.00598	0.5
228.53488	0.3
230.12207	0.3
241.03935	1.1
245.19221	2.9
263.20255	0.7
289.07629	1.6
289.18158	3.9
291.09183	100.0
292.09317	11.9
307.12335	4.9
307.19220	9.4
308.12665	0.6
309.10327	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	305.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77678	0.9
57.03341	1.2
59.01260	5.4
65.76585	1.0
68.91256	0.9
69.03338	1.2
70.82343	1.7
70.82684	1.1
71.04912	45.2
78.24064	0.8
80.02557	1.4
81.03349	3.0
83.04932	1.9
93.03371	3.1
95.04932	19.4
97.02840	1.2
97.06493	1.1
102.94840	0.9
106.04147	2.8
107.04916	2.7
108.02106	1.0
109.02895	1.4
109.06512	16.6
111.04417	3.6
119.04909	1.3
121.06516	7.4
123.04451	1.5
123.08108	1.4
127.07563	3.6
135.08092	2.2
139.07541	1.5
147.04477	2.9
147.08104	4.0
149.06049	1.4
149.09697	2.0
150.06839	1.3
153.09140	1.7
161.06053	4.7
161.09631	1.9
164.08403	1.1
165.09171	13.0
166.09561	1.0
179.14311	1.0
189.12814	13.9
205.16011	9.0
231.13911	3.3
233.11906	10.1
233.34186	1.0
243.17567	10.9
245.15610	1.0
249.15004	12.1
261.18546	1.9
269.15494	3.4
287.16623	90.9
288.16916	7.5
289.14639	0.9
305.17673	100.0
306.18008	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	305.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	5.0
59.01263	3.7
69.92238	2.1
69.92635	2.0
81.03351	1.9
83.04948	1.0
93.03367	1.4
95.04910	2.0
97.02847	0.9
97.06502	4.8
106.04136	1.2
109.06510	2.4
117.07018	1.7
119.04952	2.9
120.05739	9.8
120.43454	0.8
121.02907	1.0
121.06538	1.2
123.04456	7.5
123.08089	3.7
125.09637	15.8
135.08087	54.5
136.08403	1.1
137.06064	1.1
137.09648	1.4
141.12791	3.3
143.14809	0.8
147.04449	2.5
160.37614	1.0
161.06012	1.3
161.09659	4.0
161.40335	1.1
175.07626	6.0
179.10713	1.3
185.11806	54.9
186.12149	2.2
189.12831	7.2
190.09859	0.9
223.13339	1.9
223.43951	1.0
224.10201	1.1
243.15181	1.8
243.17574	25.1
244.17937	2.1
245.15501	1.7
259.17148	1.1
261.18665	3.1
263.16507	1.1
269.15582	4.7
287.16608	71.9
288.16992	4.9
305.17657	100.0
306.18054	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0675
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
51.81731	0.9
54.44421	0.9
57.03343	5.8
59.01263	2.0
60.19455	1.0
69.03333	0.9
69.68872	6.3
77.63450	0.8
81.03350	2.3
83.01277	3.1
93.03348	2.0
95.04914	2.7
97.02846	3.2
98.20518	2.0
109.02871	11.5
111.04420	1.2
121.02872	2.6
123.00789	4.0
124.01603	2.6
125.02369	72.6
126.02695	1.3
135.04404	1.1
137.01392	1.6
137.02386	24.1
138.03123	1.0
139.03954	18.6
151.03893	1.5
159.04515	1.1
161.02391	3.6
164.01082	4.5
165.01892	17.2
166.02489	2.3
167.03481	18.1
175.03969	2.1
177.01855	1.5
177.05504	3.0
179.02063	1.6
179.03484	20.7
180.03862	1.2
191.07126	2.2
201.05597	2.0
203.03511	2.6
204.04283	2.4
219.06644	16.6
221.04565	9.2
237.07779	1.1
243.06723	1.1
260.54709	0.9
261.07745	9.8
287.05667	1.5
305.06735	100.0
306.07022	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	305.1766
Annotation	Corrin
Peak:m/z	Relative Intensity
50.54939	0.2
50.74361	0.2
54.33318	0.2
57.03344	0.5
59.01263	2.5
67.17603	0.2
68.99719	0.3
69.03388	0.3
70.78483	0.4
71.01283	0.5
78.78441	0.2
80.02567	2.7
81.03355	2.7
83.04919	9.4
84.05269	0.3
85.02850	0.3
93.03345	0.8
95.04926	2.1
95.71786	0.2
97.06502	0.9
106.04140	0.7
107.01290	0.5
107.04960	1.4
108.02091	0.6
108.42360	0.2
109.06522	2.7
111.04375	0.3
111.08091	0.4
111.70933	0.2
121.02863	2.8
121.10107	0.3
122.03670	0.5
123.04404	0.2
123.08102	0.4
125.06017	0.9
125.09657	1.0
133.02896	1.8
135.04462	2.7
135.08096	4.0
136.05220	0.4
137.09668	0.5
139.11270	0.3
145.10210	0.3
146.03618	0.3
147.04468	2.4
147.11765	0.4
148.05298	0.5
149.06021	0.6
149.09663	0.6
151.11259	0.4
159.08130	0.5
160.86162	0.2
161.06029	1.2
161.09692	0.6
163.11244	8.8
164.11586	0.6
165.12816	4.5
173.09666	0.3
175.07556	0.7
176.08395	7.5
177.09108	1.3
178.09956	5.2
179.10814	0.5
181.12297	1.2
185.11842	1.4
189.12862	0.4
190.10007	1.1
191.10783	2.5
192.11513	1.4
193.12299	0.7
197.11824	1.2
204.11578	0.3
205.12338	0.4
207.10283	2.6
207.13794	0.4
209.11826	100.0
210.12173	6.4
215.14320	0.4
217.12318	0.4
218.09421	0.3
219.17557	0.5
233.19128	0.3
234.09068	0.3
236.10555	4.3
243.17548	2.4
244.18073	0.3
245.15503	1.7
250.12325	0.4
258.61655	0.2
259.17004	0.4
261.15875	0.3
261.18665	6.4
262.18964	0.3
263.16528	0.8
269.15598	1.9
277.18228	0.7
287.16592	10.7
288.16946	1.0
305.17657	95.5
306.18008	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	304.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19773	0.2
58.02866	37.3
60.99610	0.2
66.20139	0.2
69.94548	1.4
70.02869	0.3
83.68839	0.2
92.55209	0.2
151.11163	0.4
168.13901	100.0
169.14253	4.3
212.12935	3.6
215.91882	0.3
265.72791	0.3
304.19293	1.4
305.17468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0675
Annotation	(2R)-2alpha-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran
Peak:m/z	Relative Intensity
54.42050	1.1
57.03321	8.1
59.01254	2.0
63.26649	1.2
63.93182	1.1
65.03865	1.2
69.14824	1.3
69.62622	6.8
69.63042	2.7
72.30981	1.3
81.03349	3.1
83.01266	3.5
90.39236	1.4
93.03371	2.2
95.01266	4.0
95.04923	4.3
97.02847	5.3
98.19781	2.7
109.02867	17.7
111.04417	1.9
111.22241	1.4
121.02867	3.6
123.00806	4.9
123.04454	2.1
124.01569	6.2
125.02369	100.0
125.34885	1.3
126.02645	3.2
135.04405	1.7
137.02380	28.6
138.03055	1.8
139.03954	20.9
149.02438	2.2
151.03969	2.8
159.04483	2.3
164.01118	6.1
165.01891	21.3
167.03461	22.7
175.03979	2.9
177.01857	1.9
177.05534	5.6
178.02689	1.4
179.03459	20.1
191.07147	2.1
203.03574	2.8
204.04239	2.7
213.09190	1.4
219.06615	15.1
221.04570	7.6
237.07764	2.3
243.06648	3.0
261.07782	6.2
305.06735	76.7
306.07190	5.7
308.83685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1668
Annotation	Viridamine
Peak:m/z	Relative Intensity
54.84560	0.2
56.85765	0.2
58.16278	0.2
60.97388	0.7
70.96980	0.2
70.97308	0.3
74.98985	0.6
118.96232	0.6
123.00850	0.3
134.99326	4.9
135.08246	0.2
135.99345	0.3
136.97270	1.9
141.07324	0.4
143.05296	0.5
150.98837	0.3
159.08453	1.4
161.06352	6.6
162.06520	0.2
187.02518	0.2
201.04108	0.6
203.05655	3.2
205.03534	0.7
215.05661	1.2
217.07216	80.5
218.07350	5.0
235.08331	0.5
261.06165	0.9
283.11932	0.5
285.13544	34.2
286.13736	3.3
301.16672	100.0
302.16870	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	303.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.4
65.24108	0.3
71.23325	0.6
71.23676	0.7
79.95625	14.7
79.96094	0.8
80.96412	1.7
95.95135	0.7
96.95915	100.0
109.02837	0.5
121.68468	0.4
122.97487	0.6
125.02379	0.7
128.82549	0.5
137.02371	0.9
173.00914	0.4
185.11771	0.6
192.49484	0.4
229.65541	0.4
285.03918	0.7
303.09140	93.0
303.23309	2.7
304.09451	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	303.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00211	3.6
53.48220	2.7
55.49321	3.6
58.00485	6.6
59.01268	63.2
61.98711	3.5
62.65286	3.3
69.03364	3.8
69.23008	33.1
71.01270	32.1
72.99200	49.3
74.68646	2.6
75.00758	20.1
79.05447	5.6
80.63127	2.9
83.81203	2.9
87.00770	4.0
89.02344	54.5
91.84498	3.0
95.04903	4.9
96.95912	6.7
97.06493	23.8
98.54444	3.0
99.00763	15.5
102.62523	3.2
102.98709	3.0
105.06976	3.1
107.04955	4.4
109.06515	4.8
111.08066	16.2
112.98710	13.1
117.01864	31.4
120.05779	5.2
121.06509	16.1
123.04384	3.5
124.01559	4.6
125.02411	6.1
125.06004	9.1
135.02956	19.4
136.03983	3.3
137.02383	8.6
139.07585	16.5
142.99806	100.0
149.06046	21.0
151.00323	10.7
151.03964	11.1
153.05548	20.9
166.06210	4.8
167.07086	33.5
171.06561	3.3
173.00905	23.0
174.01692	26.4
181.08684	16.7
185.11818	4.1
193.05026	7.3
211.06223	6.4
213.07700	6.9
217.32430	2.7
225.07693	38.6
303.05173	4.7
303.09064	3.2
303.20267	3.7
303.23465	13.4
319.05963	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	303.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.3
71.38074	1.8
96.95920	3.8
97.03983	2.2
99.00837	1.3
100.86309	1.2
101.51727	1.1
121.05258	3.3
122.06050	12.8
123.00807	1.7
128.03436	2.8
134.05981	1.2
139.00327	1.7
140.01131	3.3
141.01871	19.3
144.04416	2.0
145.05284	10.3
146.06056	5.9
147.03206	3.5
149.04803	2.0
149.98250	1.1
150.52260	1.5
159.03253	1.5
162.05537	1.5
163.06328	11.1
164.07144	11.1
166.05013	6.1
169.06096	1.6
175.01730	2.3
177.04301	6.6
194.04591	12.8
195.05360	14.8
196.06059	4.3
197.05611	1.5
202.81039	1.3
208.06160	1.5
209.03275	3.2
255.11465	3.3
267.11444	5.1
273.12531	33.5
278.74304	1.5
285.12524	100.0
286.12823	6.3
303.07013	1.9
303.13583	7.1
303.23303	3.6
304.06134	1.3
323.45728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1201
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
55.65963	0.4
56.79504	0.3
59.00094	0.4
59.01268	1.0
59.61402	0.4
65.99736	0.6
66.22811	0.4
68.80344	0.5
69.52879	2.9
73.88294	0.4
77.03867	0.6
97.02852	0.5
98.20600	0.5
118.06538	2.8
121.02876	0.7
123.00779	0.5
136.03934	0.5
139.00279	0.5
146.02377	0.7
147.03232	1.7
148.04027	1.0
148.13223	0.4
159.04398	0.4
160.03996	11.7
160.05315	0.7
161.04779	92.0
162.01927	0.7
162.05565	16.0
163.02708	1.0
164.03503	6.2
175.02707	7.2
176.03505	2.0
192.03000	13.9
193.03786	63.8
194.04300	2.6
208.02594	1.1
219.86621	0.4
240.10442	1.2
253.06276	1.3
271.10941	27.4
272.11343	2.4
283.10956	100.0
284.11316	7.5
301.12000	39.7
301.17419	1.4
302.12363	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	301.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30618	0.7
59.01256	0.9
61.98721	100.0
70.25584	1.3
70.25996	2.1
88.72836	0.7
104.70415	0.7
107.53952	0.9
107.83294	0.7
114.30149	0.7
123.00832	0.7
141.60593	0.8
149.57883	0.7
192.57800	0.7
204.54939	0.7
220.36661	0.8
301.17496	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	301.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79372	0.4
57.03344	0.4
59.01253	1.3
61.98706	0.5
65.00194	0.7
69.37553	0.7
69.37960	2.9
71.01286	0.7
71.66125	0.3
71.90223	0.3
93.03347	0.7
95.01303	0.5
107.01329	0.9
108.02118	0.4
117.03413	0.7
118.03695	0.4
121.02870	0.8
123.00800	1.0
125.02320	0.4
137.02353	0.5
138.03160	0.5
139.00267	0.4
139.52498	0.4
145.02890	1.7
146.03218	1.7
147.03416	0.6
149.02242	0.4
151.00352	2.1
152.01094	0.5
157.02872	0.6
158.03767	0.7
161.02440	0.5
163.00339	0.7
163.11272	0.7
165.12848	0.4
169.02931	0.5
171.68695	0.4
178.99762	0.4
185.02420	1.4
186.03203	3.9
187.03938	0.5
197.02483	1.4
198.03111	0.8
201.05513	0.5
206.99374	0.8
209.11832	13.5
210.12222	0.4
213.01938	11.0
214.02710	8.9
215.03195	0.5
225.01933	1.5
227.12854	1.4
229.05270	0.5
241.01460	4.2
242.02231	61.6
243.02617	4.8
244.03362	0.9
245.04562	1.9
256.03333	2.2
257.12955	1.4
269.00928	2.6
272.02908	5.1
273.04178	3.3
300.17004	2.5
301.03583	100.0
301.17105	3.2
302.03937	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0937
Annotation	Isotachioside
Peak:m/z	Relative Intensity
59.01255	2.3
69.95067	2.6
71.01262	5.1
73.02844	1.8
73.89653	0.7
83.19036	0.5
85.02839	2.8
89.02326	0.8
95.01286	5.1
101.02357	2.8
108.02101	0.9
109.02883	1.5
111.00814	1.2
113.02342	3.4
121.02877	2.9
122.17752	0.5
123.00803	100.0
124.01678	5.7
125.02380	1.6
134.03757	0.6
137.02370	3.6
138.03162	74.4
139.00348	3.4
139.03975	18.9
145.02953	1.0
146.03224	0.8
149.02415	2.9
150.03226	1.0
151.03954	2.2
153.01892	0.7
159.02905	1.1
161.04523	4.9
163.03920	1.0
166.02626	2.9
169.01318	0.8
178.02759	1.4
181.05054	7.2
193.05016	2.8
301.06073	0.9
301.09335	5.6
301.14188	0.9
301.17212	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	300.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00242	0.5
59.01268	2.6
68.01315	2.2
70.64417	0.7
71.01265	0.9
72.99173	0.3
85.20715	0.2
89.02381	0.3
92.55594	0.2
94.06535	0.5
95.04899	0.3
96.04441	0.3
96.08095	0.2
96.95909	0.4
110.06020	0.6
117.03391	1.1
118.03704	0.5
119.17614	0.2
120.05242	0.3
121.02846	0.5
122.01238	0.2
122.02369	0.7
122.06065	0.5
123.00782	0.5
123.02354	0.5
123.03188	6.2
124.03867	0.3
124.07589	1.3
136.07646	0.6
137.04764	1.1
138.05545	100.0
139.05879	3.3
145.02904	4.1
146.03229	3.5
152.03496	0.4
152.07121	1.6
166.08670	0.5
167.05782	2.3
168.06601	0.6
180.06631	5.4
210.07767	0.7
240.09003	0.3
300.10995	16.4
300.16846	11.8
300.20441	0.4
301.11380	0.8
301.17322	0.7
310.46042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.0
61.98736	0.3
68.09550	0.2
69.29284	1.8
69.29704	0.8
71.03274	0.2
82.01295	0.2
87.56665	0.2
96.95896	0.4
107.91297	0.3
108.21198	0.3
117.03381	0.6
118.03705	0.3
118.23923	0.3
121.02879	0.5
123.00816	1.4
138.03169	1.0
141.12682	0.3
144.04517	1.5
145.02884	1.9
146.03186	1.5
147.03448	0.3
157.02824	0.5
158.03688	1.3
169.02997	0.6
173.02359	0.3
173.06032	0.4
174.03117	0.4
179.82635	0.3
185.02417	3.6
186.03185	2.5
187.03935	0.4
197.02440	1.4
198.03297	0.4
201.05537	0.6
202.02719	1.4
209.11769	0.4
213.01938	8.0
214.02695	3.3
215.03471	0.3
217.01593	0.3
217.05069	6.2
217.07149	0.5
218.02226	1.1
218.05264	0.3
225.01936	0.5
229.05106	0.4
241.01440	7.9
242.02213	6.4
243.02802	0.6
243.11815	0.4
245.00824	0.9
245.04581	6.1
246.04912	0.3
255.03047	0.3
257.04654	1.7
257.12955	1.0
265.07733	0.4
269.00955	3.8
270.01050	0.3
272.03345	2.3
273.04132	3.0
300.02917	0.5
300.16891	2.0
301.03604	100.0
301.17075	2.7
302.03943	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	301.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47953	0.4
59.01254	1.2
61.98726	0.4
63.02283	7.5
65.00209	12.8
67.01747	0.3
70.57004	1.0
70.57361	0.6
73.02864	0.4
77.29245	0.3
80.38887	0.4
81.48311	0.3
83.01285	8.2
93.03359	4.0
95.01282	0.4
98.20450	0.5
107.01300	21.5
108.04467	1.1
109.02847	2.7
111.00827	0.6
117.03391	0.6
121.02876	20.9
123.00804	1.1
125.02329	1.0
133.02856	0.4
135.00833	0.5
135.04437	0.4
136.07602	1.3
138.03146	0.7
139.03928	1.6
145.02887	1.5
146.03288	1.0
147.04460	0.4
148.01617	0.3
149.02350	3.3
151.00313	59.4
152.00688	2.2
159.04504	1.1
161.02411	1.0
163.00323	1.6
163.03963	1.1
164.01137	1.4
165.01897	0.6
169.01360	3.6
171.04497	0.4
175.03906	0.8
178.99831	23.8
180.00146	0.7
183.04466	0.5
187.03983	0.9
187.34674	0.4
189.87369	0.5
192.00620	0.5
193.01421	1.4
201.05472	0.7
203.03381	0.5
211.03976	0.7
227.03539	1.0
229.05003	1.3
243.02968	0.5
245.04605	1.6
255.03027	1.3
256.03769	0.7
257.04681	1.1
257.12991	4.6
273.04089	3.4
299.01923	0.4
300.16986	1.6
301.03607	100.0
301.17166	2.3
302.03955	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	298.0486
Annotation	3'-hydroxy-biochanin A
Peak:m/z	Relative Intensity
59.01269	0.8
60.76855	0.1
62.77501	0.1
63.02259	0.9
65.00180	0.8
69.58674	0.5
69.59103	0.6
76.81255	0.1
77.36332	0.1
83.01299	0.4
84.63457	0.1
88.68295	0.1
93.03355	0.8
107.01296	1.6
117.03374	4.4
119.04964	0.4
121.02869	0.5
122.65498	0.1
123.04440	0.4
132.02147	0.1
133.02884	0.3
135.00816	0.6
139.05438	0.2
141.03397	0.9
141.19333	0.1
143.04961	0.3
145.02901	3.7
149.99466	0.1
151.00298	1.5
155.04976	1.9
159.04480	2.0
163.03856	0.1
167.04984	0.7
169.01414	0.2
169.02904	0.5
171.04500	1.1
173.02353	0.2
173.06073	0.5
174.99190	0.2
182.03720	1.4
183.04498	11.1
184.04771	0.4
185.02448	1.6
187.04002	0.9
197.02457	0.3
199.03978	0.9
209.02505	0.4
210.03088	0.3
211.04013	5.5
211.13338	0.2
212.04237	0.3
213.01935	0.5
215.03485	0.4
217.00201	0.9
226.02754	0.8
227.03508	4.6
228.03915	0.3
239.03557	0.4
241.05127	0.2
254.02122	0.3
255.03041	64.4
256.03394	4.3
269.04742	0.3
279.19742	1.0
280.20148	0.7
282.01727	0.3
283.02551	100.0
284.02875	6.8
297.20807	1.1
297.23984	0.3
298.04898	61.4
298.20993	1.2
299.05234	4.5
299.08636	0.2
299.16586	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	299.0568
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
54.69611	0.2
65.00218	0.4
70.29418	1.0
83.01256	0.3
87.82455	0.3
90.22824	0.2
107.01280	0.8
107.66753	0.2
115.82219	0.2
119.24886	0.2
132.02077	1.4
132.11176	0.3
135.00821	1.3
145.02913	1.0
151.00294	0.9
163.00296	0.7
164.01077	0.8
182.03635	0.4
183.04518	1.2
185.02460	0.4
190.99800	0.6
200.04752	0.5
211.04015	1.5
212.04636	0.3
227.03508	54.5
228.03891	3.9
239.03592	0.9
245.81152	0.3
255.03032	85.3
256.03586	9.1
257.03986	0.3
283.02597	0.7
284.03333	100.0
285.03687	6.1
299.05688	55.7
299.16568	2.3
300.06046	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	297.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.4
59.01266	15.4
59.84782	1.1
67.35816	1.0
68.99700	2.1
70.37210	3.9
71.01271	22.8
73.02836	2.8
81.03341	1.2
83.01285	2.4
85.02854	22.7
89.02339	4.2
95.01299	7.7
96.99185	2.8
99.00821	1.8
101.02351	10.4
108.02140	1.4
109.02866	73.4
110.03221	2.3
111.00785	1.3
113.02362	43.0
114.02677	1.4
123.00768	1.1
123.04390	1.2
125.02343	2.4
125.11242	1.2
131.03444	2.3
135.00824	1.2
135.83272	1.2
137.02444	2.1
143.03465	1.3
145.02863	1.9
152.01057	3.1
153.01888	100.0
154.02182	2.7
161.04521	2.8
163.03961	4.1
195.02948	2.5
207.03003	6.0
225.04076	4.8
229.98019	1.2
230.27882	1.1
237.04086	3.2
237.09787	1.5
261.92041	1.2
297.06232	60.7
297.15048	3.7
297.24390	14.2
298.06558	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	297.1198
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
53.52597	0.7
55.01780	1.6
57.03340	1.9
58.00480	2.7
59.01266	100.0
60.01598	1.0
65.04010	0.7
71.01273	37.0
71.18780	1.9
72.01663	0.7
72.99207	2.2
73.02847	4.4
73.68671	0.7
75.00775	0.7
79.27456	0.7
83.01294	2.9
85.02845	9.5
87.00797	1.5
89.02340	30.1
95.01305	3.0
99.00780	1.0
101.02347	19.2
111.91112	0.7
113.02364	12.1
115.03908	0.8
117.05479	1.0
119.03419	12.1
131.03461	1.1
131.25537	0.7
135.06567	9.1
135.83990	0.8
143.03481	2.7
145.03006	1.2
159.02986	1.1
159.84647	0.8
161.04524	10.6
179.05582	9.3
191.93701	0.7
205.03613	1.2
237.09818	14.8
238.10190	1.0
249.58493	0.8
297.12015	26.4
297.15009	1.9
297.24380	6.1
297.27481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.208
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
59.01270	8.0
71.01278	1.8
75.73363	0.4
76.05494	0.4
81.57216	0.4
82.31026	0.3
83.04890	0.4
89.02332	1.9
99.08075	1.4
101.02356	2.1
101.05990	1.4
111.31619	0.4
113.02382	1.3
113.05994	0.6
114.06787	1.1
117.03391	0.5
119.03379	0.5
135.06575	0.7
145.02885	0.6
161.04506	0.7
167.14363	3.2
183.13863	2.9
195.13896	11.4
196.14250	0.5
211.13455	1.4
213.14986	1.5
225.22415	0.4
235.20685	0.7
237.09821	1.1
242.15312	1.1
251.20189	1.1
253.21793	0.8
255.03238	0.4
261.18729	0.7
279.19772	7.8
282.30640	0.5
283.02521	0.6
297.11838	1.6
297.20804	100.0
297.24185	5.6
298.04941	0.5
298.15524	0.4
298.21118	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	297.0624
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
55.01776	1.3
55.88280	0.4
57.03342	4.5
59.00993	0.7
59.01269	8.5
67.01748	0.4
68.32722	0.4
68.99706	2.0
69.63963	2.2
69.64366	1.2
71.01271	28.0
72.99216	1.6
73.02840	1.6
81.03332	0.9
83.01291	2.5
84.02065	1.3
85.02849	42.3
86.03185	1.0
87.00772	0.9
89.02344	5.6
91.01797	0.9
95.01286	10.1
96.99226	5.7
97.02884	0.4
98.20539	0.6
98.56590	0.4
99.00800	0.9
101.02358	6.7
108.02088	1.7
109.02867	71.0
110.03201	2.0
111.00794	1.1
111.06715	0.4
113.02363	80.8
114.02699	1.7
121.02923	0.7
123.00803	1.4
124.01608	0.9
125.02338	0.8
131.03427	0.7
135.04417	1.1
137.02347	0.6
139.00285	1.8
143.03476	2.8
145.02873	0.7
152.01109	2.2
153.01886	100.0
154.02214	3.3
161.04488	2.6
162.03082	0.4
163.03972	7.1
177.01910	0.7
189.01865	0.6
195.03017	0.8
205.05086	0.7
207.02975	8.2
223.06151	1.1
225.04047	3.9
237.04037	1.1
251.83714	0.5
279.05139	0.8
297.06219	45.2
297.24335	3.6
298.06595	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	295.2286
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03332	1.1
58.83608	0.2
59.01267	1.5
70.34375	0.3
70.34763	0.4
70.91029	0.2
80.65093	0.2
83.04905	0.3
93.51206	0.2
97.06497	0.4
113.09643	2.7
177.12808	0.6
179.14403	1.4
181.12306	0.5
195.13890	18.0
196.14192	1.2
218.78130	0.2
233.22728	0.4
251.23723	0.3
259.20700	0.5
277.21793	19.1
278.22147	1.7
295.22855	100.0
296.23196	8.1
310.98904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2286
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03330	2.5
59.00994	1.3
59.01265	16.8
63.76782	0.8
66.27451	0.7
67.21207	0.7
69.89522	4.0
71.01236	1.6
73.02818	0.9
75.32789	0.7
81.07375	0.7
85.02851	0.8
98.95506	1.0
101.02325	1.1
119.04945	0.9
121.02866	1.4
125.09669	0.8
127.11234	0.6
138.73315	0.7
147.89893	0.7
155.14342	2.3
161.04599	1.2
162.09335	0.8
171.10226	24.3
183.10207	1.7
183.13937	1.0
195.13896	4.4
235.08282	1.0
251.23897	2.1
277.21805	31.3
278.22110	1.8
295.22855	100.0
296.23203	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	295.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.5
59.00994	1.3
59.01265	16.8
63.76782	0.8
66.27451	0.7
67.21207	0.7
69.89522	4.0
71.01236	1.6
73.02818	0.9
75.32789	0.7
81.07375	0.7
85.02851	0.8
98.95506	1.0
101.02325	1.1
119.04945	0.9
121.02866	1.4
125.09669	0.8
127.11234	0.6
138.73315	0.7
147.89893	0.7
155.14342	2.3
161.04599	1.2
162.09335	0.8
171.10226	24.3
183.10207	1.7
183.13937	1.0
195.13896	4.4
235.08282	1.0
251.23897	2.1
277.21805	31.3
278.22110	1.8
295.22855	100.0
296.23203	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	297.0624
Annotation	Demethoxybergenin
Peak:m/z	Relative Intensity
51.71643	1.7
55.01770	2.1
57.03342	3.6
59.01273	17.2
61.99074	1.7
63.44194	1.5
65.06931	1.7
68.24648	1.6
70.94749	3.7
71.01273	27.0
81.03333	1.6
82.40246	1.5
83.01283	1.9
85.02844	33.6
87.00766	6.5
89.02332	6.5
89.75851	1.6
95.01299	8.6
96.99209	6.2
101.02351	7.8
106.95542	1.6
108.02068	4.2
109.02863	59.9
111.00793	2.7
113.02364	67.0
114.02670	2.7
116.75602	1.8
121.02773	1.7
125.02369	2.8
137.02420	2.5
139.00276	1.7
143.03488	2.6
145.02985	2.0
152.01025	2.1
153.01883	100.0
154.02194	4.0
161.04501	3.4
163.03957	6.1
204.74020	1.5
207.03001	8.3
225.04022	2.9
237.09628	1.7
248.52397	1.7
270.06476	1.9
279.74557	1.7
297.06232	66.0
297.15067	4.7
297.24429	19.2
298.06534	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	295.1925
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
51.08401	2.0
59.01267	67.9
69.03352	3.2
71.01254	6.7
73.02853	3.2
79.69510	2.2
81.03337	3.2
81.73248	2.2
83.01277	8.8
83.04911	6.1
83.74069	2.1
85.02852	4.0
88.11617	2.8
95.04876	3.6
97.02881	2.7
97.06490	2.3
98.20551	6.0
101.02361	6.2
122.02415	2.4
123.04429	4.3
123.08085	6.4
125.09641	24.7
129.57304	2.2
151.11256	13.4
153.09035	2.8
161.04524	3.4
163.11230	8.9
165.12701	4.3
169.12277	2.6
179.14294	5.2
181.12253	4.0
184.08054	2.7
209.11819	63.0
210.12173	3.4
225.11298	2.9
233.19167	17.5
235.08279	5.9
251.20206	5.9
259.17117	6.5
265.28860	2.5
277.18155	100.0
278.18536	8.6
295.13748	3.6
295.19250	45.9
295.22803	7.1
296.19440	5.1
318.71332	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	295.2286
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.99437	0.5
57.03332	0.5
59.01270	15.5
59.47429	0.4
68.19341	0.5
69.65378	3.6
71.01278	1.9
73.02836	1.0
76.21615	0.5
83.04914	0.6
85.02837	0.7
92.65828	0.4
101.02338	1.3
113.02373	0.5
113.09659	1.3
122.67598	0.5
152.07019	0.5
161.04489	0.8
177.12811	1.0
195.13895	33.9
196.14278	2.1
209.15649	0.8
225.15027	1.5
233.22946	0.8
235.08292	0.8
237.02396	0.5
255.02008	0.6
264.08810	0.6
277.21805	35.6
278.22205	3.2
295.22870	100.0
296.23215	8.8
298.53571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.2
59.01269	52.8
61.98744	1.7
62.26325	1.4
71.01274	4.4
73.02847	2.7
77.40850	1.4
83.04865	1.4
85.02855	2.4
89.02370	1.7
93.64632	1.5
95.04904	2.2
96.95911	2.2
97.06499	28.7
99.08045	1.8
101.02359	4.2
109.06478	1.8
113.02391	2.2
113.05987	2.5
121.02873	2.1
123.08080	4.7
125.80398	1.4
149.09616	2.0
151.11246	2.0
153.12759	1.7
161.04533	3.7
169.12311	9.5
171.10196	2.9
181.12276	4.4
183.13864	3.0
197.11829	99.5
198.12207	4.6
199.13364	4.4
211.13428	14.6
227.12868	3.5
233.19156	4.2
235.08224	5.2
249.18631	4.9
251.16579	4.1
259.17038	4.1
277.18161	40.5
278.18576	3.7
295.19223	100.0
295.22244	3.5
296.19562	8.5
300.59897	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33811	2.3
53.51332	2.3
57.74403	2.2
59.01268	82.6
69.03333	2.7
69.44788	21.8
71.01275	9.2
72.71644	2.5
73.02827	4.1
85.02828	4.5
87.00752	3.0
87.17008	2.9
93.49485	2.8
97.06500	23.1
101.02347	7.3
113.05962	3.6
121.02870	2.9
151.11273	2.4
161.04553	5.1
169.12299	8.6
169.76863	2.5
170.40352	2.8
181.12283	5.2
183.13821	2.7
196.31883	2.8
197.11836	100.0
198.12207	5.8
199.13547	3.6
211.13345	12.9
226.12117	2.6
227.12854	4.3
233.19102	3.2
235.08328	8.2
249.18628	7.4
251.16551	4.1
253.09267	5.1
276.73456	2.6
277.18143	41.7
295.15869	3.3
295.19235	67.8
295.22672	8.4
296.19562	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	295.1923
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
50.99336	0.3
54.31285	0.4
56.57700	0.3
57.03352	0.5
59.01269	8.4
59.96584	0.3
71.01246	2.2
73.02848	0.6
75.18192	0.3
77.38585	0.4
81.03346	0.5
83.04913	2.4
85.02873	0.5
89.82883	0.3
93.03325	0.4
97.02859	0.6
97.06494	0.5
99.08077	3.8
101.02347	0.4
101.05986	1.8
111.04465	1.6
112.05225	0.7
112.42563	0.3
113.02395	0.3
125.02365	0.3
125.09656	1.2
127.07563	2.1
128.92479	0.3
137.09674	0.6
139.11176	0.5
149.09651	0.4
151.11229	3.2
151.47975	0.3
153.09163	0.4
158.84654	0.4
163.11246	0.4
165.12785	1.4
167.10681	0.8
167.14383	1.3
168.11320	0.3
179.14476	0.3
181.12315	5.0
183.13896	1.4
193.12326	2.1
193.16013	0.5
195.13895	1.5
211.13397	3.2
213.14871	0.5
221.11842	0.4
221.15439	2.0
223.16159	0.5
223.20747	0.6
229.14317	0.4
231.17508	0.4
233.19138	4.7
235.08212	0.8
239.12927	0.5
240.13657	3.1
249.18707	0.9
251.20290	0.8
253.09274	0.3
259.17026	3.7
267.19757	1.3
277.18164	48.4
278.18521	3.4
295.19220	100.0
296.19562	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	295.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03357	1.0
59.01268	15.6
60.27218	0.6
69.03371	0.9
70.20201	1.2
70.20608	1.8
71.01295	1.2
71.04931	0.8
73.02868	1.0
80.02589	0.8
81.03368	1.0
83.04940	0.8
83.69527	0.6
84.02119	0.5
85.02874	0.9
89.02364	0.7
90.43245	0.6
95.04956	1.7
96.14272	0.6
97.02853	1.6
97.06496	1.5
98.03636	0.8
98.06853	0.5
101.02361	0.7
109.06519	1.2
113.02306	1.1
123.08125	1.3
125.08805	0.6
125.09631	3.0
132.55826	0.6
141.12778	0.8
149.09656	0.8
151.07663	1.3
151.11220	7.8
152.08374	1.2
153.12784	1.3
161.04536	0.9
161.09612	0.6
163.11250	5.4
166.58971	0.6
177.12733	0.6
179.14388	6.8
181.12305	3.2
191.14479	0.6
209.11868	1.5
223.13399	8.9
233.19165	9.2
235.08218	1.8
251.16539	1.3
259.17111	2.0
277.18158	100.0
278.18509	7.2
295.19217	92.3
296.19614	7.7
311.72852	0.6
313.67062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64592	0.3
53.93321	0.3
57.03347	3.9
59.01263	4.3
60.11593	0.3
69.23904	2.1
69.24326	1.2
71.01271	1.5
85.02815	0.4
89.02348	0.6
96.95909	0.9
97.06512	0.6
111.08080	0.7
113.09642	4.2
115.65118	0.4
119.03425	0.5
121.10093	0.4
123.08102	0.4
125.09623	1.9
127.11214	7.9
128.11581	0.4
141.12778	0.9
149.09642	0.8
153.12790	1.6
161.04488	0.4
163.11305	0.4
164.83546	0.3
165.09140	0.6
167.10745	0.6
171.10184	0.3
177.12883	0.4
179.10831	0.6
181.12306	1.1
183.13911	0.6
185.11816	3.8
192.11607	0.4
195.13881	1.4
197.11754	0.7
205.12143	0.4
220.14673	0.9
221.15428	1.9
223.13258	0.5
236.10542	1.2
249.22295	2.4
255.07828	0.3
275.20181	1.7
293.21298	100.0
294.09186	0.3
294.18292	0.4
294.21655	8.0
295.52673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2133
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.33914	0.8
57.03334	0.7
59.01269	7.5
61.98719	1.3
68.02391	0.8
69.19751	2.4
69.20171	4.5
71.01284	3.1
71.59240	0.6
72.72681	0.7
73.02844	0.8
83.04899	0.6
85.02829	1.0
89.02332	1.6
96.95922	1.3
97.06490	1.1
101.02343	0.8
121.02895	0.7
123.08092	0.7
131.03412	1.4
136.08884	0.6
136.66586	0.7
138.68011	0.6
139.11258	1.4
143.03477	0.6
151.11214	2.3
161.04512	2.0
162.84152	0.6
164.11961	0.6
169.12344	2.3
177.09184	0.6
192.11583	1.0
193.15919	1.7
194.93002	0.8
197.09979	1.3
197.11832	26.5
198.12111	1.2
220.14673	2.7
221.15512	5.8
222.18727	1.6
231.21260	1.0
236.10593	5.2
249.18590	1.8
249.22467	1.1
250.21806	1.6
260.81848	0.6
265.21735	0.7
275.20215	18.0
276.20474	1.6
276.80774	0.6
293.08783	3.1
293.21313	100.0
294.21548	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	295.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05170	0.6
58.00489	1.7
59.01267	37.4
61.98712	1.0
71.01276	6.9
71.54086	0.8
72.99212	1.7
73.02840	1.3
74.09137	0.7
83.01270	0.8
85.02859	0.8
85.88686	0.7
87.00768	0.9
89.02345	2.8
96.12869	0.6
99.00787	0.7
101.02348	3.8
105.03370	2.3
108.02097	0.8
119.04903	1.6
121.02885	1.7
131.05023	0.9
132.02112	19.8
132.03093	1.2
133.02899	19.3
134.03674	55.9
135.04369	3.1
136.01598	2.8
137.02380	2.9
139.03914	0.8
147.04460	20.9
148.05272	8.5
148.88947	0.7
149.06026	27.5
150.06346	1.3
151.03951	1.9
153.05443	0.8
160.01611	100.0
161.02031	2.6
161.04578	1.0
162.03146	1.2
162.06834	1.6
163.03914	0.8
163.07613	1.7
164.04636	1.2
173.06053	0.7
174.03203	1.5
175.03970	98.6
176.04747	43.0
177.01915	7.6
177.05333	2.1
178.02672	7.1
179.03401	2.4
189.05676	0.8
191.07114	65.3
192.04283	3.0
192.07416	3.4
193.05045	53.0
194.05373	2.3
199.11044	0.8
202.02757	2.3
207.06613	4.4
209.11839	2.8
217.05058	6.5
220.03796	8.6
221.04390	1.6
233.11861	2.0
235.06143	96.3
236.06490	6.0
251.12981	1.4
263.09406	0.7
280.05997	2.2
295.08313	48.5
295.11746	2.1
295.22876	1.2
296.08606	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2131
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
57.03339	7.3
59.01264	4.9
69.97592	1.4
71.01271	0.9
73.02855	0.6
79.74474	0.4
85.02875	0.6
89.02323	0.6
95.04991	0.4
96.95914	2.6
97.06481	0.4
98.19838	0.5
99.08038	0.5
109.06530	0.4
111.08065	1.2
113.09630	0.7
121.10154	0.5
127.11214	21.4
128.11478	0.8
135.08060	0.5
139.11223	0.5
152.64957	0.4
153.09154	0.9
153.12825	4.0
161.04486	0.5
163.11270	0.9
165.09148	1.3
171.10213	0.7
177.12782	0.9
181.12285	1.9
215.77148	0.4
220.14728	0.8
221.15421	1.6
236.10617	1.1
249.22198	3.9
250.22475	0.5
275.20316	1.1
293.08838	1.4
293.21292	100.0
294.18274	0.5
294.21634	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22103	1.4
59.01252	3.1
70.86658	3.1
70.86994	1.5
81.71291	1.3
91.97480	1.5
102.36177	1.3
102.42144	1.2
117.09647	1.5
121.10157	40.8
122.10452	1.4
124.47376	1.2
127.11166	1.8
171.10236	63.3
172.10579	2.6
177.16451	1.5
181.02126	1.6
183.13893	3.7
185.11813	4.1
197.11821	1.8
211.13326	2.0
229.19597	1.5
231.21260	3.3
275.20221	100.0
276.20517	9.2
282.32324	1.5
293.21323	64.9
294.21658	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	293.213
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.59703	0.5
53.02638	0.4
58.85632	0.4
70.86851	1.7
111.08073	0.7
119.93369	0.4
126.21280	0.4
142.63637	0.4
167.10745	0.6
177.40747	0.5
179.14366	0.9
195.13910	11.1
196.14552	1.5
199.34120	0.4
205.12303	0.9
211.13388	1.1
223.13411	11.0
224.13950	1.0
228.13799	1.4
256.13187	4.3
275.20221	8.3
276.20462	0.9
293.21313	100.0
294.21655	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88765	0.5
56.81493	0.4
57.03339	4.0
59.01274	2.4
69.40644	4.0
97.06489	0.7
98.20554	1.0
104.95029	0.4
109.02986	0.5
109.06500	0.6
109.50999	0.5
113.09639	18.0
114.09976	0.6
135.11751	0.6
139.11227	1.7
149.09676	0.6
167.10736	2.8
177.12897	0.8
179.10730	2.1
195.13899	3.5
249.22238	2.3
275.20145	1.2
293.21310	100.0
294.21609	9.9
300.79962	0.4
303.35196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43991	0.6
57.03329	1.1
58.00471	1.6
59.01265	33.4
70.71603	2.1
71.00893	1.2
71.01269	19.0
72.99194	2.5
73.02831	0.8
75.00756	0.9
83.01294	1.3
85.02837	4.7
85.06481	13.6
87.00786	1.9
89.02345	17.5
95.01279	1.5
99.00825	0.7
101.02355	11.8
112.54057	0.7
113.02365	7.5
113.06015	3.3
115.07564	2.2
119.03419	8.1
124.29123	0.7
127.07533	1.4
130.85391	0.8
131.07079	56.3
132.07402	1.4
137.87239	0.8
154.77179	0.8
161.04527	1.2
165.04636	0.7
173.08157	1.5
175.63211	0.7
179.05605	0.9
207.44563	0.8
208.28232	0.8
293.12503	100.0
293.21362	1.8
294.12863	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	293.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24997	0.2
60.07373	0.2
62.32012	0.2
69.55608	1.0
69.56036	1.1
71.01272	7.8
75.85448	0.2
95.11162	0.3
109.46371	0.3
110.72299	0.2
111.75404	0.3
127.07563	1.0
148.05229	0.9
151.07594	0.7
164.08354	0.9
177.09201	4.0
178.09615	0.4
190.09918	0.4
192.11551	6.4
193.12080	0.7
199.40686	0.3
205.12364	5.5
206.12711	0.5
207.13940	1.5
217.08641	0.4
218.09474	1.8
220.14705	46.9
221.15474	100.0
222.13737	0.4
222.15829	5.8
235.13487	1.2
236.10568	69.9
237.10948	4.4
249.34808	0.2
256.71872	0.3
293.17712	11.7
293.21146	0.9
294.18146	0.8
312.17374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	11.2
61.98745	1.3
70.69115	3.7
71.01271	4.5
71.36198	1.2
85.02866	1.8
86.72808	1.3
89.02363	3.1
94.67629	1.4
96.95857	1.8
101.02335	1.3
131.03461	1.3
136.08849	1.4
139.11237	1.9
161.04463	3.0
169.12274	1.8
192.11484	2.0
193.15958	2.8
194.92824	1.4
197.11823	25.9
205.12245	1.7
220.14682	6.4
221.15482	9.1
231.21248	1.7
235.13541	1.2
236.10600	9.4
249.18561	1.5
275.20245	18.4
293.08762	5.7
293.21286	100.0
294.13879	1.3
294.18701	1.2
294.21622	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	292.0868
Annotation	Triadimefon
Peak:m/z	Relative Intensity
59.01263	3.5
68.02428	100.0
69.02152	0.8
69.02751	0.8
69.85175	2.6
71.01271	1.3
73.99236	0.7
89.02351	1.0
89.26339	0.6
114.98364	0.6
126.99489	3.0
152.08272	1.4
154.28656	0.5
156.13858	1.0
188.60641	0.6
220.14624	1.5
221.15472	2.7
234.51758	0.6
236.10565	1.7
248.20833	0.6
251.11458	0.6
264.20532	5.0
274.18951	0.8
291.19846	3.0
292.08582	1.0
292.20068	30.0
293.08942	1.4
293.17627	2.0
293.21173	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	293.0888
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01735	2.0
57.03330	2.0
58.00470	3.8
59.01264	81.6
63.98281	1.6
71.01270	84.2
71.51676	2.6
72.99195	7.0
73.02836	50.0
83.01273	7.8
85.02840	23.9
87.00774	3.9
89.02342	40.3
95.01297	4.2
96.95914	6.2
99.00792	6.4
101.02350	45.6
102.52958	1.9
103.03912	13.1
113.02354	27.4
119.03399	14.0
127.00322	1.9
131.03430	78.2
132.03734	2.8
143.03503	3.4
153.24040	1.9
161.04495	23.0
221.15477	2.3
236.10371	2.6
293.03561	3.7
293.08871	100.0
293.21381	5.6
294.09332	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	291.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40990	0.4
57.03341	11.3
57.06563	0.4
57.57132	0.4
59.01269	3.8
67.01768	0.8
71.04900	0.6
83.04922	1.4
85.09910	0.4
85.96592	0.4
92.56985	0.4
99.20836	0.4
109.06508	1.4
121.10146	1.0
123.08061	0.4
125.09650	9.2
133.65906	0.4
151.11226	2.2
153.09158	1.2
163.11281	2.9
163.19630	0.4
165.09155	1.3
165.12813	0.9
179.14304	0.9
181.12318	2.4
229.14493	0.5
247.20712	4.5
248.21338	0.4
273.18713	1.0
291.09171	1.3
291.19739	100.0
292.20114	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	291.2341
Annotation	Androstanediol
Peak:m/z	Relative Intensity
57.03331	2.5
58.00483	7.6
59.01266	5.3
63.86826	0.8
69.03339	1.3
71.01263	3.5
71.04863	0.9
73.02840	71.5
74.03164	1.6
75.24263	1.0
76.28628	1.0
83.04942	2.3
84.02061	6.9
85.02855	2.7
95.04930	1.4
97.06488	4.4
97.08470	0.9
107.04971	1.5
111.08064	4.3
113.05960	1.1
125.05999	4.5
125.09657	1.8
127.07571	2.4
127.11237	1.4
135.07974	0.9
139.07611	5.9
139.11224	1.3
141.12807	1.6
153.12772	1.9
155.14374	2.1
163.03928	1.5
165.12805	1.6
167.10817	1.0
179.10828	1.0
195.13834	1.2
205.19644	2.3
247.20714	1.8
255.21188	4.4
261.22275	5.9
263.23825	10.4
273.22318	27.6
273.42911	1.0
274.22574	2.9
289.21796	1.3
291.19733	74.4
291.23343	100.0
292.20068	7.4
292.23691	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	291.1975
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01258	1.0
59.11890	0.4
69.48963	0.3
71.58718	0.6
73.02835	53.1
74.03134	0.5
91.73838	0.3
139.39374	0.4
140.95738	0.4
144.11345	0.5
179.21613	0.4
209.04575	0.4
291.19733	100.0
292.20090	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	291.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16833	0.6
59.01258	0.9
69.33418	1.9
69.33841	3.7
125.05988	1.0
148.08896	1.9
150.10413	1.6
163.11263	1.0
165.12810	23.6
166.13174	1.2
176.12036	0.7
191.14497	0.8
212.62344	0.6
217.15968	0.9
240.69240	0.5
247.20711	12.0
273.18622	7.7
291.19739	100.0
292.20087	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	291.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.4
59.01258	1.6
65.02280	0.6
68.65819	0.6
69.03356	0.7
69.32954	2.3
69.33385	2.9
70.58746	0.5
75.68710	0.6
77.29177	0.5
109.06491	0.9
111.08074	11.8
113.09631	1.0
137.09613	1.2
155.37178	0.6
158.16904	0.6
167.10732	2.3
177.12785	1.9
179.10744	1.2
185.80327	0.5
195.13890	7.7
222.43681	0.7
239.91577	0.6
247.20763	3.3
273.18695	1.3
291.19742	100.0
292.20062	12.3
299.30255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.0
59.01260	0.9
66.32078	0.4
66.71803	0.5
69.37459	1.1
69.37873	3.2
93.03346	0.4
93.06995	1.0
97.06520	1.2
98.19759	0.7
109.06515	0.5
111.08064	1.5
116.87713	0.4
121.10156	8.8
122.10480	0.4
123.08050	0.7
125.09656	6.1
151.11212	0.8
163.11218	0.7
165.12796	0.5
185.11801	9.8
195.13863	1.1
197.11813	2.1
209.11778	1.1
211.13466	1.2
223.13510	0.8
239.35655	0.4
247.20760	2.0
259.29947	0.4
273.18677	2.2
291.19745	100.0
292.20081	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	289.1817
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.68269	0.1
59.01267	2.3
71.01268	0.3
71.04919	0.1
71.62811	0.2
80.02565	1.1
81.03346	0.6
83.04922	0.6
85.10139	0.1
91.01839	0.1
93.03344	0.2
94.90865	0.1
95.04926	1.0
97.06465	0.4
97.84784	0.1
99.04404	0.1
106.04162	1.4
107.04962	0.9
109.06506	9.3
110.06814	0.2
111.08081	1.9
117.06963	0.1
119.04926	0.3
119.08552	0.2
120.05712	0.4
121.02883	0.3
121.06499	0.4
121.10163	0.1
123.08092	2.1
125.09608	0.2
129.09140	0.2
131.04916	0.2
132.05682	0.2
133.06549	0.2
133.10143	0.3
134.07317	0.2
135.08116	0.8
135.11745	0.2
137.09685	1.4
141.09189	0.2
143.10710	1.7
145.06538	3.0
146.06825	0.1
147.08072	0.3
149.09683	1.6
151.11237	0.9
153.09151	0.2
159.08070	0.4
160.08713	0.2
161.09663	0.3
163.11261	0.9
165.09189	0.2
167.10751	2.1
173.09666	0.3
175.11292	0.3
177.09178	0.3
177.12811	0.6
179.10721	1.1
181.12326	0.7
191.14378	0.6
193.12198	0.2
215.14479	0.4
216.15204	0.2
217.15956	0.5
227.18109	0.4
229.15945	0.2
243.17514	0.6
245.19136	6.0
246.19539	0.4
247.17184	0.2
259.13431	0.4
261.18570	0.3
271.17108	1.6
273.14975	0.9
287.16623	2.7
288.16888	0.2
289.18164	100.0
290.18518	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	289.0726
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03340	6.5
59.01245	1.1
65.20985	0.6
69.03362	1.4
70.72658	1.5
74.37373	0.7
76.88702	0.6
80.02587	0.6
81.03354	5.8
83.01281	6.2
93.03351	3.5
95.01286	1.0
95.04926	7.9
97.02863	13.7
99.04459	1.0
103.00815	0.6
107.04935	0.8
108.02077	2.9
109.02868	51.9
110.03208	1.6
117.03369	0.6
121.02882	7.0
122.03672	2.5
123.04448	40.3
124.04780	1.1
125.02377	30.6
133.02866	1.1
135.04480	3.7
137.02383	16.5
138.03157	2.5
139.03944	7.2
145.02916	3.1
146.03667	2.4
147.04465	1.2
149.02390	9.1
149.05968	0.7
150.03180	3.4
151.03966	18.5
158.03638	0.8
159.04445	6.3
160.05243	3.1
161.02405	1.7
161.06041	10.0
162.03149	2.6
163.03972	1.9
164.01100	6.0
165.01903	6.7
166.02626	1.3
167.03471	3.1
173.05992	1.9
175.04001	4.2
175.07587	4.4
177.05518	1.4
179.03456	11.0
185.06049	1.8
187.03996	7.7
188.04745	6.4
199.07605	1.4
201.05591	1.5
201.09039	0.6
202.06387	3.6
203.03502	0.9
203.07127	23.3
204.07455	1.1
205.05072	12.2
212.04668	1.3
217.08653	1.2
221.08186	7.5
227.07111	3.9
230.05811	1.3
245.08235	33.9
246.08586	1.5
247.06142	2.8
271.06146	1.4
289.07266	100.0
290.07565	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	289.0726
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03330	5.5
59.01271	1.5
66.64755	0.5
69.03330	0.9
69.53006	5.0
80.02551	1.0
81.03345	5.1
83.01281	5.3
84.49268	0.5
93.03359	2.7
95.01299	1.6
95.04923	7.5
97.02853	11.8
98.20578	0.9
99.04427	0.6
107.04942	0.8
108.02106	1.5
109.02863	43.4
110.03185	1.0
111.04401	0.6
121.02873	5.0
122.03619	1.8
123.04443	32.3
123.57950	0.6
124.01650	0.6
124.04797	0.7
125.02371	28.8
126.02734	1.2
133.02774	0.8
135.04451	4.0
137.01389	1.1
137.02380	15.4
137.03423	0.8
138.03204	1.5
139.03931	5.8
145.02872	2.0
146.03625	1.8
147.04463	0.8
149.02376	7.2
150.03122	1.7
151.03960	15.0
152.04344	0.8
157.06535	1.0
159.04420	4.1
160.05222	2.4
161.02379	1.9
161.06021	7.0
162.03174	3.0
163.03914	1.6
164.01115	4.8
165.01894	7.4
166.02557	1.1
167.03439	2.5
173.06023	2.0
174.03210	0.7
175.03992	3.5
175.07576	4.3
177.05571	1.1
179.03468	9.9
180.04216	0.6
185.06003	1.3
187.03995	7.3
188.04770	4.7
198.91402	0.6
199.07681	1.1
201.05576	1.3
202.06317	3.5
203.07135	19.3
204.07605	0.8
205.05058	12.2
206.05429	0.8
212.04805	0.8
217.05035	0.9
217.08786	1.1
221.08205	5.8
227.07146	2.6
229.05141	0.7
230.05864	1.2
231.03188	1.1
245.08224	30.5
246.08588	2.0
247.02673	0.7
247.06139	1.2
271.06073	2.0
289.07257	100.0
290.07584	9.3
292.80359	0.5
294.35547	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0782
Annotation	Dianthoside
Peak:m/z	Relative Intensity
51.35810	1.1
59.01250	2.2
62.75778	1.0
69.03346	3.9
70.19067	4.9
71.01279	1.4
81.03352	1.5
83.01275	1.7
85.02868	1.1
95.01282	1.3
97.02868	2.7
101.13381	1.1
123.00806	7.2
123.04447	1.3
124.01605	27.9
125.02375	100.0
126.02734	2.9
137.02364	1.4
138.52922	1.2
146.31334	0.9
148.61967	1.0
149.02307	1.4
165.43568	1.1
167.03458	1.7
197.18028	1.0
212.47650	1.0
287.07730	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1661
Annotation	Hynapene B
Peak:m/z	Relative Intensity
57.03334	0.7
59.01268	7.9
61.98710	0.7
66.97601	0.5
69.85310	2.0
69.85737	1.2
71.01289	0.5
81.03349	0.8
83.04924	0.6
85.02846	0.6
93.03351	0.9
95.04931	4.0
106.04144	1.9
107.04937	1.6
109.06516	6.1
117.07024	1.4
118.04070	0.5
119.04955	0.8
119.08624	0.5
121.06519	2.8
121.10127	0.8
123.04422	0.6
123.08083	3.3
125.02350	1.1
125.09603	0.6
127.07603	0.7
132.05768	0.7
133.10155	1.1
135.08144	2.4
135.11742	0.6
138.05685	0.5
145.06546	0.7
147.08070	3.1
149.09660	2.4
157.06598	0.5
158.07271	0.7
159.08049	1.4
160.08858	1.7
161.09680	4.9
161.28307	0.6
163.11215	0.8
171.08157	1.5
173.09685	1.2
175.11224	1.9
177.09271	0.8
185.09615	0.7
186.10440	1.6
187.11217	1.0
188.12029	0.5
189.09180	0.6
189.12845	15.5
190.13177	0.7
191.10674	0.5
199.11374	0.5
201.12790	0.6
213.12936	0.5
215.14438	2.1
225.16434	1.3
227.14584	0.7
241.15984	1.6
243.17578	38.2
244.17928	3.9
245.15416	0.6
246.29480	0.4
259.13416	0.7
269.15588	2.5
287.12994	4.8
287.16608	100.0
288.16913	9.9
305.17709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1661
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
57.03345	0.6
59.01260	1.5
61.98716	0.7
65.03848	0.4
69.88543	2.1
74.09502	0.3
79.05424	0.4
97.06499	1.2
98.20536	0.4
101.02409	0.4
102.04671	3.0
112.17323	0.3
115.05431	3.4
117.07022	100.0
118.07369	4.2
119.08566	0.9
123.08118	1.1
125.02352	0.6
125.09648	10.9
125.58176	0.3
143.04959	1.2
145.06548	0.3
147.19789	0.4
157.06631	0.4
169.08594	0.4
171.08208	0.4
225.16620	0.6
233.61171	0.4
243.17525	1.5
246.04971	0.3
263.02911	0.4
269.15488	1.0
287.16608	75.9
288.16953	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	287.2237
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01273	2.6
61.98724	0.5
71.52224	0.4
71.52670	0.8
78.95810	0.6
99.08042	1.8
99.59830	0.4
120.45179	0.5
125.02364	1.5
129.09157	1.0
141.12811	2.3
153.12479	0.5
155.14386	0.5
205.12451	0.5
231.10315	0.6
237.14934	0.7
240.55132	0.4
241.21837	1.3
243.17647	1.1
249.11365	1.5
269.21326	3.0
285.20773	2.1
287.08691	1.3
287.16776	3.8
287.22354	100.0
288.16928	0.5
288.22696	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	288.1613
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01266	1.4
64.84762	0.2
67.01759	0.2
71.62557	0.3
72.51376	0.2
81.03349	0.9
84.95397	0.3
92.04939	0.5
93.03349	1.4
108.02116	0.5
108.04472	3.7
109.02870	4.0
119.08560	0.3
121.02911	0.5
124.01606	0.5
134.02412	35.8
135.03235	6.9
136.03981	31.9
136.05070	0.4
137.02377	1.7
137.04300	0.7
148.04007	0.9
149.04808	1.1
176.03494	4.8
176.07124	0.3
177.04164	0.4
190.05096	0.7
204.06668	0.3
245.46057	0.2
288.16132	100.0
289.05060	0.3
289.16354	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	285.208
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
59.01257	0.9
63.05609	0.3
63.47575	0.3
67.92252	0.3
69.33199	0.9
69.33624	2.2
106.96235	0.3
121.16196	0.3
164.13773	0.3
223.20688	58.2
224.21002	4.4
241.21791	1.7
267.19724	34.5
268.20102	2.2
285.20792	100.0
286.21152	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2395
Annotation	Prosopinine
Peak:m/z	Relative Intensity
50.33363	0.2
58.90565	0.2
59.01255	0.7
61.98714	0.4
70.02859	1.2
71.62599	0.4
71.62978	0.2
74.06001	1.7
78.95789	0.3
96.05867	0.3
117.07023	10.5
118.05025	1.1
119.83073	0.3
125.02372	0.5
125.09638	0.7
186.90842	0.3
231.81441	0.3
239.57449	0.3
240.23370	2.9
242.21289	1.9
242.24895	0.3
243.17685	0.3
259.07776	0.3
268.22772	1.3
269.15585	0.4
284.22430	0.4
286.23947	100.0
287.07037	0.5
287.16641	7.4
287.24316	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.057
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
59.01266	1.7
63.02279	2.6
65.00215	11.4
70.17809	2.9
83.01283	6.0
83.79905	0.6
91.36535	0.6
97.02843	0.6
98.20460	0.7
104.85059	0.6
107.01302	16.8
107.04984	0.7
109.02876	2.6
118.18063	0.5
125.02383	5.6
134.03645	1.2
135.04453	100.0
136.04823	2.8
137.02371	0.6
149.64024	0.5
151.00314	87.2
151.42441	0.6
152.00638	2.5
160.00774	0.6
161.02428	1.3
169.01392	2.8
191.22668	0.6
243.15125	0.7
269.13132	0.6
287.05646	15.8
287.14084	3.1
287.19058	0.8
287.22229	0.6
288.06088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.7
59.01276	2.0
65.00194	1.8
66.16901	1.1
71.01259	1.1
71.51711	1.3
71.52097	1.4
83.01295	4.5
96.95932	1.8
97.02877	1.3
100.00323	1.2
121.02871	1.3
122.66076	0.9
123.00840	1.2
125.02374	40.7
126.02684	1.8
127.21986	1.1
130.08641	1.3
132.04510	1.2
139.03947	1.3
144.04478	1.6
149.02403	3.7
152.00983	1.4
160.00691	3.7
173.03525	5.1
177.05574	1.9
181.07593	1.1
183.04315	1.6
183.05638	11.3
184.02000	2.1
187.04002	4.4
195.44083	1.1
199.00677	1.1
199.04019	2.2
200.04738	3.6
211.03986	2.3
215.04634	36.4
216.05069	1.1
227.03563	2.0
228.04285	6.0
243.07683	3.7
248.76289	1.1
255.03119	3.2
259.06223	4.8
269.04565	1.2
287.06830	100.0
288.06952	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	285.0413
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.50049	0.2
54.85209	0.2
58.50068	0.2
59.01283	0.9
60.71464	0.2
62.64474	0.2
63.02283	0.7
65.00201	0.6
71.10801	0.4
71.11143	0.2
75.68854	0.2
76.47338	0.2
83.01270	0.9
85.28989	0.2
91.01791	0.3
93.03359	2.5
95.01300	0.6
107.01308	1.3
108.02077	0.5
109.02863	0.7
114.24151	0.2
117.03365	0.9
119.01270	0.2
121.02840	0.5
123.00763	0.4
123.04486	0.5
130.04216	0.4
131.04929	0.5
133.02844	0.4
135.00789	0.7
137.02348	0.7
143.04999	1.1
145.02895	0.7
151.00294	1.9
154.04204	0.8
155.04970	0.5
156.05807	0.3
157.02924	0.3
157.06541	1.1
159.04491	1.1
161.02415	0.5
163.00304	0.8
164.01079	0.3
165.01936	0.4
167.04947	0.5
168.05696	0.4
169.01405	0.4
169.06538	1.1
171.04460	1.0
173.02415	0.3
173.06003	0.3
183.04471	0.4
184.05298	0.5
185.06067	2.3
187.03937	1.4
189.05574	0.3
192.00732	0.2
195.04547	0.5
196.05147	0.2
199.03958	0.5
201.05533	0.7
211.03946	1.2
211.13319	0.7
213.05602	1.1
214.02728	1.0
215.03481	0.4
217.05125	0.2
219.02960	0.3
225.15858	0.2
227.03575	0.8
229.05112	1.9
239.03470	1.5
240.04285	0.5
243.02945	0.8
255.03059	0.7
256.03690	0.2
257.04724	1.2
267.03064	0.2
268.03784	0.3
284.03354	0.2
284.26782	1.9
285.04117	100.0
285.27237	0.6
286.04471	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	285.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63517	0.2
53.47178	0.3
57.03329	0.3
59.01265	2.1
59.14214	0.3
61.98699	0.5
69.27946	2.8
71.01278	0.2
83.04938	0.4
98.19807	0.4
125.09656	0.3
127.99726	0.2
129.71014	0.3
167.14343	0.6
178.05379	0.3
181.12296	0.8
183.13869	7.4
184.14146	0.4
193.12282	1.9
211.13393	100.0
212.13747	6.0
253.10799	0.4
285.00726	0.3
285.04111	4.3
285.12781	0.4
285.17172	1.5
285.20676	0.6
285.27197	1.4
286.04562	0.8
297.17105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0331
Annotation	Riccionidin A
Peak:m/z	Relative Intensity
59.01258	0.3
63.02293	0.2
65.00212	1.2
69.31343	2.0
76.59982	0.2
80.90371	0.2
83.01271	0.5
98.20536	0.4
107.01302	3.5
108.02068	0.5
117.03570	0.2
120.02126	0.5
132.02104	4.0
135.00816	3.1
143.04951	0.3
151.00314	1.1
155.04967	0.3
159.04417	0.3
163.00345	1.7
164.01076	1.4
167.04921	0.8
169.02917	0.2
171.04448	0.6
172.05452	0.2
182.03613	0.9
183.04492	6.4
184.04802	0.3
185.02425	3.6
187.03955	1.1
190.99898	0.4
195.04526	0.3
199.03937	1.2
200.04738	0.7
209.02582	0.2
210.03183	0.5
211.04002	5.2
211.13367	0.5
212.04483	0.3
213.01913	1.9
226.02690	0.5
227.03514	68.6
228.03874	4.0
232.14561	0.2
237.01924	0.2
239.03482	1.0
255.03040	100.0
256.03564	8.6
283.02502	1.0
283.26511	9.7
284.03333	99.7
284.26819	2.5
285.03687	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	285.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50902	0.3
53.93014	0.2
56.49341	0.2
59.01258	0.7
67.02228	0.2
69.51645	2.2
113.03885	0.3
115.19325	0.3
121.02834	0.5
125.03892	0.5
129.03366	0.6
133.02878	0.3
135.90742	0.3
141.03368	1.6
143.04999	1.3
145.02875	0.4
147.04475	0.9
153.03404	4.3
157.02901	0.7
165.03384	0.5
169.02911	3.7
171.04462	2.3
173.02466	0.4
173.06023	0.6
177.01823	0.5
181.02919	3.0
184.01601	0.5
185.02446	1.7
187.00323	0.8
187.03966	4.0
197.02422	8.9
198.02852	0.4
199.03995	4.4
209.00426	0.6
209.02435	9.5
210.02798	0.6
213.01926	1.4
215.03505	1.0
225.01927	4.8
226.02303	0.6
241.01497	0.8
252.00729	0.3
253.01462	100.0
253.99356	0.5
254.01820	7.6
255.02971	1.3
269.22772	0.3
284.26770	1.3
285.04111	87.3
285.27161	0.4
286.04449	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	281.2492
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
64.20612	0.3
70.86643	0.6
70.87019	0.7
87.34792	0.3
89.10033	0.3
91.49105	0.3
98.19853	0.3
124.57196	0.3
171.11430	0.3
196.54416	0.3
217.29457	0.3
238.65605	0.3
281.24927	100.0
282.25275	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	283.0246
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
55.26755	0.2
57.20530	0.2
59.01266	3.7
62.06234	0.2
63.02275	2.9
65.00201	2.9
68.99706	0.3
69.55283	1.6
70.21091	0.3
79.01784	0.3
83.01285	0.9
89.00227	0.5
91.01794	0.7
93.03352	2.1
98.49176	0.2
101.02341	0.3
105.81744	0.2
107.01304	3.4
111.85062	0.2
117.03382	11.2
118.03694	0.5
119.01335	0.3
123.04436	0.7
123.60119	0.2
129.03380	0.6
131.05008	0.4
133.02928	0.3
134.06047	0.4
135.00818	1.4
136.07643	0.6
141.03395	2.4
143.04953	0.7
145.02914	0.4
147.04367	0.3
151.00323	2.2
154.04195	0.8
155.04979	3.6
157.02864	0.2
159.04468	3.8
160.94064	0.2
167.05023	1.3
169.01543	0.4
169.02917	0.4
171.04457	1.9
173.02342	0.5
173.06070	0.7
181.02777	0.3
182.03676	4.2
183.04491	17.4
184.04816	1.0
185.02438	2.6
187.03964	0.7
197.02461	0.5
199.03975	1.3
201.02568	0.3
209.02341	0.4
210.03226	0.4
211.04012	7.4
212.04291	0.4
213.01953	0.4
215.03493	0.6
223.08167	0.5
226.02768	1.0
227.03503	4.7
239.03564	0.5
255.03044	69.6
256.03342	3.8
282.01855	0.5
283.02563	100.0
283.26495	22.5
284.02872	7.2
284.06039	0.3
284.26953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.0
57.03354	3.5
58.00478	3.2
58.32885	2.5
59.01267	100.0
60.23840	2.4
61.54994	2.7
71.01272	67.4
72.99197	4.4
73.02843	13.3
75.00781	4.5
83.01286	8.1
85.02836	23.5
87.00789	3.6
87.04398	4.0
89.02340	36.7
90.06753	2.7
95.01281	5.0
99.00769	6.5
101.02355	56.2
105.45993	2.6
113.02367	28.5
119.03410	13.7
119.07041	11.8
125.02364	3.2
143.03401	4.3
150.04135	6.3
159.02946	4.6
161.04514	37.8
179.05505	4.0
191.03395	3.4
221.70430	2.7
235.49648	3.0
281.12460	35.7
281.24960	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2131
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
57.03312	0.5
59.01265	16.9
61.98688	0.5
62.63847	0.5
64.67140	0.6
71.01274	1.6
71.24406	1.2
77.26567	0.6
85.06444	0.5
89.02352	0.8
99.08066	2.5
101.02338	0.7
102.68847	0.5
113.02379	0.5
113.70528	0.5
161.04567	1.1
179.14381	1.0
181.12271	0.6
195.13898	18.4
196.14285	1.4
219.21294	0.7
221.06715	0.5
263.20230	18.3
264.20462	1.5
281.21304	100.0
281.24731	5.5
282.21658	8.2
291.06125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1975
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
52.80224	1.1
53.63458	1.0
57.03304	1.2
59.01275	12.3
66.72316	1.2
69.48217	4.0
69.48639	8.0
71.01272	2.7
75.00740	1.6
75.75706	1.2
93.85125	1.1
96.95918	1.8
98.19717	2.5
101.02319	1.5
121.02879	1.4
181.12192	1.5
181.89047	1.4
195.13910	13.7
196.14578	1.4
223.13393	7.3
228.13728	2.4
235.13358	1.5
256.13199	4.1
261.18701	9.7
279.19763	100.0
279.23212	10.8
280.20050	7.7
303.38742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94325	0.2
59.01243	0.9
65.50772	0.3
71.04468	0.6
75.53348	0.3
112.13049	0.2
115.05648	0.3
122.11953	0.4
156.77045	0.3
181.71204	0.3
182.17506	0.3
196.82068	0.3
223.42699	0.3
271.77658	0.3
279.23352	100.0
280.23709	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	279.2336
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
61.67252	0.7
64.84863	0.6
67.18037	0.7
71.06541	1.3
71.06915	1.4
90.66463	0.6
91.29642	0.7
98.19806	0.7
104.72925	0.8
106.24522	0.7
112.00996	0.6
112.08081	0.6
120.41444	0.6
132.15050	0.7
136.10754	0.7
163.17299	0.6
166.75284	0.6
184.78709	0.7
221.57629	0.8
279.23355	100.0
280.23688	10.9
302.17386	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	7.6
61.98716	1.5
65.99733	1.2
71.01254	1.1
71.54003	0.8
98.85688	0.8
102.93398	0.9
113.02374	0.8
118.59711	1.0
137.02324	1.6
162.05478	0.9
168.04485	5.5
169.02916	3.0
176.04742	2.5
180.04506	3.2
187.07463	1.1
190.05061	5.6
195.03331	1.1
196.03995	13.1
197.02400	4.7
203.57896	0.9
205.08636	1.3
207.03262	54.0
208.04025	100.0
209.04317	6.9
223.02744	7.3
224.03542	18.9
224.36757	0.9
225.01913	2.1
225.03902	1.4
236.03452	1.0
249.07759	3.6
252.03056	85.8
253.01270	10.9
253.03796	4.0
279.23355	1.5
280.02579	8.6
280.08475	1.5
280.23627	1.0
281.03003	0.9
281.07327	1.2
281.10339	5.9
281.24844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.3
59.01270	3.5
62.33514	0.4
71.01257	1.3
71.53709	0.6
75.00786	0.5
81.47545	0.4
85.02877	0.5
96.95900	0.7
97.06513	0.9
113.02420	0.7
123.08067	1.3
125.09649	4.6
125.83997	0.5
127.07631	0.4
135.08073	2.3
141.12817	1.1
153.12831	0.5
185.11815	9.6
189.49411	0.5
197.11783	2.9
219.03015	0.7
219.05084	0.6
235.20630	0.8
249.07716	0.8
279.19730	100.0
280.20084	8.6
280.23175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1973
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
57.03334	1.3
59.01266	2.0
59.90538	0.3
61.98693	0.3
63.83264	0.3
69.03359	0.3
69.19892	3.4
71.01283	0.7
71.04925	0.4
73.02847	0.3
79.47382	0.3
83.04904	0.5
90.00756	0.2
95.04948	0.3
96.95933	0.7
97.06504	1.3
98.19839	0.6
101.02347	0.4
113.02368	0.3
121.02888	0.4
123.08089	1.1
125.09661	4.9
135.08046	1.6
141.12794	1.2
151.11209	0.3
153.12793	0.4
167.14420	0.4
185.11815	8.2
186.12041	0.4
197.06079	1.2
197.11835	3.1
209.11900	0.3
219.05165	0.3
235.20763	1.5
261.18707	0.4
279.19730	100.0
280.20081	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	277.2179
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01266	0.6
59.38165	0.4
59.99472	0.4
70.30015	1.7
82.79615	0.4
83.06474	0.4
123.07076	0.5
126.72115	0.4
157.31284	0.4
253.07729	0.5
271.96503	0.5
277.21790	100.0
278.22153	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	279.1973
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
53.61705	0.5
53.76351	0.5
54.55447	0.4
57.03343	3.0
59.01268	5.9
59.08743	0.5
69.23864	6.1
70.63807	0.6
71.01257	1.3
83.04911	1.8
85.02836	0.5
85.55384	0.5
87.72854	0.5
88.20182	0.5
96.95914	1.1
99.08059	22.6
100.08431	0.7
113.02330	0.6
117.22594	0.5
118.04668	0.5
121.02898	0.8
123.08099	0.7
125.09646	1.7
149.09660	0.6
167.10721	2.7
177.12828	1.2
179.10738	2.2
195.13867	2.9
235.17059	2.4
235.20660	2.5
251.20099	0.7
261.18735	0.7
279.19690	100.0
279.23276	34.3
280.20047	8.3
280.23602	2.4
284.88519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	4.1
61.98719	1.0
71.01273	0.8
71.62730	0.9
78.95792	0.9
121.02869	1.3
122.83723	0.5
134.07297	1.5
136.08806	0.9
137.09680	0.6
149.09657	1.1
151.11232	20.3
152.11545	1.1
152.91693	2.0
163.11172	0.6
164.47346	0.6
176.12077	1.2
177.12770	0.8
181.54247	0.6
190.10164	0.6
194.92688	3.8
194.95517	1.1
205.15939	1.9
207.13895	1.1
212.93773	0.8
233.15540	1.2
233.19112	11.4
247.33688	0.6
259.17084	6.5
265.38199	0.6
276.93127	0.6
277.18167	100.0
277.21622	8.9
278.18488	8.3
278.21747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51889	0.4
57.79022	0.3
59.01255	1.6
59.97057	0.4
66.97919	0.3
69.44042	0.4
70.29534	1.7
71.01270	0.6
76.29835	0.4
83.04900	0.4
95.51131	0.4
95.87710	0.4
98.20502	0.6
114.02242	0.4
116.69698	0.4
146.24971	0.4
147.99019	0.4
155.08466	0.4
188.82295	0.3
275.20016	0.6
277.21790	100.0
278.22134	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00989	0.4
59.01267	5.2
71.01273	0.7
71.54852	0.3
79.95625	0.2
83.04919	0.4
89.13446	0.2
96.95914	0.3
97.29124	0.2
117.36845	0.2
121.02872	0.5
127.07553	0.4
194.92802	0.3
204.10616	0.2
205.15982	0.9
233.19128	0.4
233.22771	0.5
259.20770	0.4
275.20096	0.5
277.18378	7.0
277.21777	100.0
278.18506	0.8
278.22122	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2179
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.24045	0.3
55.83614	0.4
59.01270	8.3
71.01253	1.1
71.58562	0.5
78.37778	0.4
83.04885	0.5
85.02766	0.4
121.02859	0.7
127.07571	0.7
139.42412	0.5
194.92732	0.6
205.15964	0.9
233.19112	0.6
233.22736	0.7
275.20123	0.7
277.18268	12.5
277.21774	100.0
278.18579	1.1
278.22116	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2181
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01265	3.4
71.01285	0.4
83.04932	0.4
88.21817	0.2
105.11274	0.2
113.06002	0.3
121.02903	0.2
233.22842	0.2
259.20776	0.6
275.20197	0.5
277.21790	100.0
278.18979	0.4
278.22134	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	275.0932
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
54.03307	0.3
56.76051	0.3
57.10139	0.3
59.01272	1.5
65.03848	3.2
65.99557	0.3
71.33552	0.3
71.33871	0.4
77.19641	0.4
90.13805	0.3
91.05415	0.3
93.03355	0.6
102.88707	0.3
103.15079	0.3
108.02099	0.4
109.02879	3.0
111.00797	0.3
121.02896	0.8
122.03629	0.5
123.00806	0.3
124.01563	0.6
129.06999	0.6
133.02888	3.9
134.03716	0.4
137.02391	0.5
143.08669	0.3
145.02838	0.6
152.06230	0.5
153.07037	0.7
156.05743	0.6
158.47531	0.3
159.04451	1.9
167.04962	0.3
169.06526	0.6
170.03691	1.5
170.07249	0.3
171.04538	0.4
171.08098	0.8
172.05222	2.1
173.06007	2.2
180.05791	1.2
181.06555	1.7
182.07336	0.8
183.04532	1.2
184.05229	1.6
185.06114	0.5
187.04021	2.5
187.07625	3.8
188.04756	2.0
188.08426	0.7
197.06081	6.8
198.06853	4.8
199.07635	100.0
200.04903	0.4
200.07973	5.5
201.05568	1.4
201.09149	0.8
202.06284	0.9
202.09999	0.7
203.10773	3.2
204.08005	0.3
213.09346	0.4
215.07097	1.1
216.07916	2.3
231.10291	44.0
232.10603	2.3
243.06738	0.4
245.04482	0.5
247.84941	0.3
275.09326	31.6
276.09634	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	275.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	45.2
62.79581	2.9
66.13966	2.6
69.03366	4.3
71.01275	44.8
71.04898	3.2
71.52426	4.2
71.52759	3.2
73.02815	3.2
80.02544	4.9
81.03353	10.5
83.01245	2.8
83.04919	10.6
84.02104	2.9
85.02849	2.5
97.02854	22.4
99.00767	5.9
107.04941	3.0
109.06508	100.0
110.03624	6.0
116.92733	3.8
121.06505	5.6
125.09662	3.9
135.08139	14.4
136.05229	4.6
142.02641	10.8
153.09100	3.0
161.09642	6.2
163.11229	48.9
171.10217	9.5
179.10805	4.8
181.12312	23.7
185.11751	5.2
189.09293	4.0
192.95815	5.1
197.11806	3.8
199.09567	2.8
199.13431	8.4
207.10260	99.1
208.10519	4.8
225.11339	21.0
243.12405	10.8
275.09933	3.0
275.15070	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	275.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	6.4
59.01271	68.4
59.63646	5.3
61.98726	9.3
63.71173	5.6
71.01283	48.1
71.02306	13.9
79.01765	5.9
81.03354	16.4
83.04919	7.9
97.02866	15.9
109.06509	89.8
131.63823	5.8
133.06509	6.2
135.08072	12.7
142.02684	13.8
151.07762	6.1
163.11229	47.0
171.10208	12.6
181.12302	20.5
191.05539	7.8
197.11823	8.9
199.13472	10.1
207.10283	100.0
225.11301	29.3
261.95230	5.9
275.09351	10.1
286.84702	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90878	0.4
58.02856	0.7
59.01259	1.7
60.37070	0.4
60.71910	0.4
69.40579	2.2
69.41013	1.6
71.01288	1.1
72.99193	0.7
78.95798	38.6
83.10262	0.4
84.04438	0.6
89.28481	0.4
92.04977	0.7
93.03379	0.5
94.23867	0.4
96.96867	100.0
98.20265	1.8
103.00244	0.5
106.70869	0.4
115.03906	0.9
120.99552	1.2
128.03456	3.0
139.15831	0.4
144.04495	1.5
145.03181	0.5
146.02423	0.6
146.06050	0.6
148.03961	2.4
155.03418	0.5
162.14815	0.5
173.04498	0.5
174.05623	0.6
215.08228	0.7
217.10805	0.7
241.20746	0.4
277.03659	0.8
277.08463	1.0
277.21860	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	273.0413
Annotation	1,3,5,6-Tetrahydroxy-8-methylxanthone
Peak:m/z	Relative Intensity
50.31793	0.3
59.01261	0.4
68.99677	0.4
69.26545	1.6
69.26969	0.9
70.77972	0.2
82.03980	0.2
83.04936	0.3
85.02830	0.3
95.01300	0.4
96.95921	0.5
97.23961	0.3
108.02127	0.3
114.04485	0.3
117.23134	0.3
124.01588	2.1
129.09109	0.5
132.02138	0.5
142.32372	0.2
145.02875	0.5
146.03722	1.4
148.01590	2.1
149.02370	0.7
149.99550	0.5
151.00319	0.9
157.02925	1.2
158.03697	0.9
161.02435	1.5
161.09743	0.3
162.03189	0.9
173.02417	1.1
174.03188	15.3
175.03532	0.9
176.01129	1.9
177.01924	5.4
179.10767	0.5
185.02408	0.9
186.03206	12.6
187.03554	0.6
189.01918	1.3
190.00980	0.4
190.02693	6.0
191.03041	0.3
191.05524	0.6
201.01918	2.0
202.00804	0.3
202.02705	5.1
203.03204	0.3
205.01488	0.8
213.01915	1.8
214.02705	15.5
215.03033	0.7
217.01399	1.6
218.02153	0.7
223.09694	0.7
229.01459	3.0
229.14468	0.9
230.02190	1.4
237.15009	0.4
241.10822	0.4
242.02162	0.3
245.01010	1.4
258.01834	0.6
267.17935	0.3
273.04114	100.0
274.04471	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	273.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.0
59.01272	1.2
62.41833	1.2
71.52525	0.8
77.16625	0.9
78.95791	2.9
81.03340	1.3
83.01289	3.8
84.02031	1.5
96.95954	1.2
101.66631	1.1
115.14607	1.1
125.09641	5.3
131.03693	1.0
139.17741	1.0
163.11282	1.3
171.10223	4.7
190.33257	1.1
191.05576	2.9
191.10800	2.9
209.11754	2.9
223.13339	1.6
226.12125	1.8
241.14470	1.6
243.16100	1.6
273.04068	1.3
273.17148	100.0
274.17538	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	274.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10848	1.4
61.89381	1.4
64.27249	1.2
65.99733	17.2
68.00981	1.3
68.01290	8.7
69.54443	9.3
98.19868	3.0
106.68126	1.4
113.02378	1.5
131.03697	9.1
145.02893	6.1
145.05258	5.8
145.06496	6.5
146.03664	3.5
149.99542	12.8
158.03690	11.2
159.04482	2.3
160.03954	1.7
160.07628	25.8
161.06001	4.6
170.06029	3.3
172.05272	4.4
173.02386	5.0
173.04767	7.2
173.06056	54.5
174.06569	2.0
175.07564	5.4
177.00642	17.6
186.03200	2.4
186.06882	2.6
187.04031	1.8
187.07645	12.6
188.07135	74.6
189.07552	4.8
198.05530	2.2
200.04808	16.2
201.05527	13.8
202.06232	5.3
205.08675	5.1
207.10280	2.9
213.04335	2.0
214.08711	1.8
215.07140	100.0
216.07469	4.5
218.09509	3.4
232.03737	5.1
233.08188	5.5
234.09006	29.1
235.09389	1.7
242.08266	6.0
247.09805	46.8
248.10011	1.7
274.11017	7.5
278.84476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1922
Annotation	Alismorientol A
Peak:m/z	Relative Intensity
57.03326	0.6
59.01268	0.3
61.51350	0.3
63.02296	0.3
65.00207	0.4
71.54312	0.3
71.54632	0.3
81.03371	0.3
91.25440	0.2
93.03382	0.3
102.87634	0.2
107.01302	0.4
108.02076	0.9
109.02882	0.5
117.61096	0.2
119.04968	1.5
125.02375	0.7
151.00304	1.2
158.29971	0.2
181.15874	0.3
196.38377	0.3
207.17499	0.8
209.19107	56.6
210.19444	2.9
227.20146	1.4
253.18140	39.0
254.18524	2.3
268.48022	0.2
271.06226	1.8
271.19229	100.0
272.06509	0.3
272.19568	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	271.2286
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
56.38316	0.2
59.01264	0.3
69.31678	0.6
69.32101	1.6
70.04952	0.2
83.01297	0.2
89.87229	0.2
93.03381	0.2
107.01318	0.3
108.02120	0.5
119.04962	0.5
125.02357	0.4
132.26041	0.2
144.84203	0.2
151.00294	0.5
163.25186	0.2
193.49686	0.2
217.41748	0.2
225.22246	4.3
226.22728	0.3
241.42966	0.2
253.21819	1.4
269.21198	0.9
271.06293	0.8
271.22858	100.0
272.23196	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	272.0936
Annotation	8-Methoxytaifine
Peak:m/z	Relative Intensity
59.01242	1.0
61.98723	1.8
69.60271	5.3
69.60690	2.5
86.53139	1.1
109.02852	4.0
115.92411	0.9
120.48746	1.1
155.03638	1.4
156.04492	1.6
159.04407	1.2
170.02446	3.3
171.04492	2.4
175.03970	1.5
183.03230	6.8
184.04012	43.6
185.04538	2.5
185.06068	12.0
186.01923	1.6
186.06796	2.1
188.04724	2.6
189.05589	3.0
191.05551	2.0
197.04816	24.6
198.03339	2.2
198.05557	9.7
199.02713	1.5
199.06387	40.3
200.06764	1.3
211.02750	18.1
212.07178	62.3
213.05568	13.8
213.07668	3.6
216.04274	8.5
225.04301	2.4
226.05067	2.5
228.03020	3.1
240.06665	14.9
242.04643	23.0
243.05334	2.4
245.08255	43.6
246.08653	2.4
256.06256	1.5
257.07040	1.8
272.09366	100.0
272.22980	1.6
273.09723	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	271.0831
Annotation	Arbutin
Peak:m/z	Relative Intensity
50.40555	0.3
55.01766	0.4
57.03332	0.6
59.01265	0.9
65.34272	0.3
69.63720	2.3
70.31987	0.3
71.01270	6.8
73.02834	1.5
75.00782	0.3
78.95777	0.3
83.01285	0.7
85.02847	3.7
95.01295	1.4
96.96886	0.7
98.20462	0.5
98.27705	0.3
99.00790	1.0
101.02363	3.1
108.02081	100.0
109.02256	0.7
109.02961	7.2
113.02361	2.7
118.15073	0.4
119.04974	0.5
121.02876	1.3
122.03627	0.6
123.00787	1.0
123.04463	1.6
125.02379	0.5
133.02872	1.3
135.04465	0.6
151.00304	0.5
151.03963	3.2
159.02985	0.7
161.04475	3.3
163.03995	1.0
181.71014	0.3
186.28699	0.3
205.03490	0.4
271.05957	0.6
271.08478	0.8
271.19513	0.4
271.22842	2.1
284.53949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02872	1.6
59.01264	4.8
60.88575	1.6
61.98727	2.5
62.17103	1.3
62.95636	1.7
71.01270	6.5
71.10672	4.6
72.99200	5.3
73.02838	1.4
83.01297	2.8
85.02839	2.3
87.00783	1.5
87.77394	1.4
89.02283	1.8
97.06515	3.3
99.00787	6.1
99.88726	1.2
107.01340	1.3
107.04966	1.5
108.02068	3.6
109.02934	2.5
109.06496	4.6
111.00807	2.4
111.08076	1.8
112.98720	10.1
115.00261	1.9
117.01858	2.5
119.04915	3.2
123.00694	1.4
123.08147	2.0
125.02384	2.5
125.06011	5.7
127.07605	2.6
137.05977	4.1
142.99797	27.1
143.94940	1.4
149.06010	3.5
151.00284	3.5
153.05524	9.8
155.07141	2.5
165.05481	2.5
167.07097	3.1
173.00879	4.3
174.01663	100.0
175.02069	4.7
193.05026	8.1
195.70824	1.4
209.11909	1.9
211.06158	2.5
224.17319	1.6
227.07225	3.2
240.06670	1.4
243.03102	3.4
253.05072	2.5
271.02551	11.6
271.06073	8.1
271.19397	2.0
271.22855	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	267.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	1.0
55.49254	0.8
57.03354	1.9
58.00490	0.9
58.45994	1.0
59.01268	21.8
61.03788	1.2
61.98726	1.8
65.43819	1.0
71.01271	62.5
71.60163	1.5
72.99198	1.3
73.02840	100.0
74.03176	1.7
83.01281	52.6
87.00789	2.1
96.95940	2.5
101.02338	8.6
108.02107	1.1
109.02845	1.9
117.01807	0.9
135.04424	1.5
137.02374	8.4
150.03197	6.9
151.00336	1.1
151.03969	3.2
152.01109	2.1
152.04767	1.9
153.01849	1.2
164.04749	2.5
165.05507	6.3
167.07086	1.5
168.04294	1.2
177.01955	2.1
179.07076	2.2
184.03688	1.1
192.22380	0.9
207.06624	2.3
209.04594	3.9
223.09248	1.1
224.06996	6.4
239.09290	13.3
240.09377	1.2
252.06346	3.1
267.08810	17.0
267.11914	1.4
267.12851	1.5
267.16104	3.4
267.19788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2336
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
51.24170	1.0
57.49643	0.7
59.01234	1.1
210.08777	0.8
267.23364	100.0
268.23657	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	269.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77434	0.1
52.62036	0.1
54.41781	0.1
55.35875	0.1
63.16845	0.1
69.91988	0.3
69.92410	0.2
78.33250	0.1
93.16693	0.1
101.03909	0.1
107.73643	0.1
113.03906	0.1
141.03407	1.6
153.03407	0.1
157.02896	0.2
169.02907	6.5
170.03265	0.3
171.04439	0.3
174.13399	0.1
185.02499	0.6
187.03947	0.4
197.02428	9.0
198.02824	0.5
213.01912	1.3
225.01917	1.1
231.02911	0.2
241.01469	1.7
242.01811	0.1
246.55437	0.1
252.00537	0.1
259.77322	0.1
268.00244	0.5
268.15497	0.1
269.00977	100.0
269.21274	0.6
270.01315	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	269.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13039	0.4
52.52736	0.5
57.33928	0.5
59.01260	1.3
61.36125	0.5
61.98714	0.7
65.00185	0.5
65.45860	0.5
69.24368	1.0
69.24771	4.8
83.04884	0.6
85.85295	0.5
87.00808	0.5
89.02355	0.8
89.39206	0.5
98.19740	1.0
108.02093	1.4
109.02864	100.0
109.21446	0.5
110.03221	2.7
117.03340	0.8
132.04504	0.6
149.02382	0.6
160.06369	3.0
171.33134	0.5
186.95610	2.1
210.05391	0.6
215.07147	1.5
225.22314	0.5
242.08258	1.8
269.01068	1.6
269.04648	5.1
269.09314	10.5
269.17926	1.3
269.21310	16.4
269.24915	4.0
270.09744	0.7
270.21481	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0255
Annotation	Aplidioxin B
Peak:m/z	Relative Intensity
61.95179	0.4
69.29572	3.7
78.08065	0.3
88.82652	0.3
91.02864	0.3
93.09620	0.4
98.19818	0.5
104.02285	0.4
115.05462	0.7
143.04967	2.5
158.03693	0.8
159.04472	2.0
169.02887	0.8
171.04454	2.5
174.01917	0.3
174.59821	0.5
185.02322	0.5
186.03207	3.5
187.03978	19.3
188.04305	1.1
196.61989	0.4
197.02451	1.5
198.03166	0.7
198.81343	0.4
199.03978	4.2
214.02675	3.4
215.03493	13.3
216.03882	1.1
226.02734	0.7
227.03502	0.8
242.02226	19.4
243.03014	100.0
244.03355	7.0
253.01421	0.7
263.12320	0.4
271.02536	53.8
271.22797	0.9
272.02847	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	271.0619
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.68671	0.3
59.01257	0.5
63.02290	9.8
65.00211	16.0
71.53761	0.4
71.54135	0.4
77.37981	0.4
78.95801	2.5
83.01283	11.8
83.04934	0.6
85.02862	1.1
93.03361	13.4
96.95931	0.6
107.01295	25.1
108.02138	0.9
109.02858	1.1
109.74942	0.4
110.13055	0.3
119.04946	69.9
120.05292	2.6
125.02347	2.1
125.40467	0.4
133.02904	0.5
133.58772	0.4
137.02338	0.6
143.04961	0.9
145.02916	1.4
151.00314	64.7
152.00690	1.7
152.99553	1.5
161.06041	1.7
163.96864	0.4
165.01909	3.2
166.89198	0.4
169.01366	4.1
177.01894	9.1
185.06047	1.4
187.03995	3.0
209.15448	0.8
221.11870	0.9
227.07133	0.6
227.16609	0.5
234.70210	0.4
235.13445	1.8
239.12888	1.2
253.14429	2.3
271.02939	3.7
271.06174	100.0
271.15598	5.0
271.22757	2.0
272.06512	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	265.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	5.4
61.98721	0.4
69.64751	2.0
70.23249	0.3
71.01283	1.2
85.02797	0.3
93.03364	0.6
96.95938	0.5
98.19704	0.5
98.35452	0.3
101.02354	0.5
105.03389	0.5
106.04133	0.6
107.04982	0.4
109.02887	0.6
111.00784	0.6
117.03407	0.4
119.04976	0.7
119.71963	0.3
121.02907	1.4
132.02107	3.6
133.02901	4.8
134.03670	56.1
135.03937	1.9
137.02377	10.3
138.02672	0.4
139.03951	3.9
145.02942	0.3
147.04449	1.6
148.05209	0.5
149.02354	0.6
149.06027	21.6
150.03177	0.9
150.06383	1.4
160.01607	17.0
161.01991	0.9
161.04564	0.4
163.03961	0.8
165.01883	0.4
174.03221	0.3
175.03969	9.7
176.04750	1.7
177.01932	0.6
178.02678	38.4
179.03070	1.7
191.07114	1.9
193.05040	100.0
194.05391	5.6
206.05817	1.0
207.06624	0.9
217.05070	0.6
221.08182	1.9
221.15514	0.5
235.06183	0.5
244.62846	0.3
247.06131	0.5
248.12996	0.7
250.04784	1.0
265.07220	12.1
265.14474	0.6
266.07666	1.2
283.15167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1453
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
59.00999	0.7
59.01271	10.4
69.16837	0.5
70.91174	1.1
71.01259	0.8
83.04916	0.9
85.02840	0.7
85.16036	0.4
90.32812	0.5
90.90740	0.5
101.02364	0.9
146.44444	0.5
163.03966	0.6
177.16426	2.1
203.14430	1.9
219.13994	0.8
221.15501	100.0
222.15852	7.8
265.14548	16.7
265.17953	0.8
266.14838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.218
Annotation	Hydroprene
Peak:m/z	Relative Intensity
54.33997	0.4
59.01270	2.4
69.58073	1.9
69.58485	0.8
96.95922	3.6
97.60119	0.4
120.89069	0.3
134.04533	0.4
192.58823	0.4
265.14899	2.3
265.21796	100.0
266.22119	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	263.1143
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
51.49041	2.1
52.82479	2.1
57.03325	5.3
58.00486	4.2
59.01265	75.1
63.02826	2.4
71.00432	6.3
71.01272	100.0
72.99201	4.6
73.02840	24.8
82.67606	2.3
83.01289	13.7
85.02847	40.4
87.00757	4.5
89.01823	4.0
89.02335	38.9
95.01286	6.8
95.20227	2.3
97.02826	2.8
99.00797	15.9
101.02349	84.7
101.05996	3.3
113.02352	47.3
114.07017	2.7
119.03431	8.3
131.03613	2.9
143.03397	5.6
159.02914	6.4
161.04498	53.3
162.04933	2.8
163.28758	2.1
205.03557	4.4
263.11292	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	263.1295
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
50.69353	1.4
55.01773	1.5
57.03331	2.3
59.01035	1.4
59.01271	16.6
61.98718	2.7
69.03336	1.6
71.01272	11.7
71.56126	2.1
83.04915	2.6
85.02842	4.2
89.02302	1.6
91.41996	1.4
95.04934	3.0
96.95901	1.4
97.02861	11.3
97.06494	2.6
101.02349	4.3
105.07005	1.9
107.04919	4.3
108.05721	6.3
109.02853	8.2
109.06519	2.5
111.04446	15.2
111.08080	2.7
113.02319	1.6
113.06009	10.6
119.08584	6.3
121.02840	1.8
121.06519	3.8
122.03661	11.6
123.04418	1.6
123.08070	7.5
125.06008	17.4
130.00061	1.6
135.08063	2.8
136.05238	17.5
137.06023	7.5
137.09630	3.4
138.06805	17.0
139.03952	1.7
139.07581	41.1
148.05249	8.1
149.06006	4.8
151.07596	76.4
152.04770	8.2
152.08388	43.6
153.09146	12.7
159.11731	5.7
161.04442	2.0
161.09671	9.4
163.07622	15.3
167.07077	4.1
170.05852	1.9
175.07552	1.8
185.09653	2.3
186.10449	2.0
188.08388	2.5
189.09213	7.1
201.12833	31.1
202.13142	3.0
203.10777	24.4
204.11540	67.2
205.11830	2.8
219.13914	100.0
220.14262	5.8
236.10466	1.7
248.10616	1.7
263.09280	1.6
263.09985	1.8
263.12985	19.7
264.13141	1.9
276.60858	1.4
283.31183	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2023
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.43278	0.2
56.05825	0.2
57.03369	0.2
59.01269	3.7
69.40781	0.8
69.41209	1.6
71.01271	0.6
74.48386	0.2
87.12086	0.2
88.28867	0.3
98.20509	0.6
100.78413	0.3
121.02869	0.4
131.03625	0.3
191.18044	0.3
204.87941	0.3
219.21213	0.5
245.19054	0.4
263.20221	100.0
264.20557	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	265.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	5.4
61.98721	0.4
69.64751	2.0
70.23249	0.3
71.01283	1.2
85.02797	0.3
93.03364	0.6
96.95938	0.5
98.19704	0.5
98.35452	0.3
101.02354	0.5
105.03389	0.5
106.04133	0.6
107.04982	0.4
109.02887	0.6
111.00784	0.6
117.03407	0.4
119.04976	0.7
119.71963	0.3
121.02907	1.4
132.02107	3.6
133.02901	4.8
134.03670	56.1
135.03937	1.9
137.02377	10.3
138.02672	0.4
139.03951	3.9
145.02942	0.3
147.04449	1.6
148.05209	0.5
149.02354	0.6
149.06027	21.6
150.03177	0.9
150.06383	1.4
160.01607	17.0
161.01991	0.9
161.04564	0.4
163.03961	0.8
165.01883	0.4
174.03221	0.3
175.03969	9.7
176.04750	1.7
177.01932	0.6
178.02678	38.4
179.03070	1.7
191.07114	1.9
193.05040	100.0
194.05391	5.6
206.05817	1.0
207.06624	0.9
217.05070	0.6
221.08182	1.9
221.15514	0.5
235.06183	0.5
244.62846	0.3
247.06131	0.5
248.12996	0.7
250.04784	1.0
265.07220	12.1
265.14474	0.6
266.07666	1.2
283.15167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81392	1.0
59.01269	15.4
59.18367	1.4
59.86016	1.1
69.55822	4.9
69.56229	3.2
69.67146	1.0
71.01275	1.9
105.20447	1.3
109.01638	1.6
115.05455	7.4
116.04985	4.0
128.05005	1.3
130.06544	11.9
131.03696	1.6
132.04483	3.3
142.05089	2.7
144.04512	3.9
146.06053	8.7
157.05272	2.0
158.06073	100.0
159.06421	5.1
174.05569	30.9
175.06003	1.9
202.05096	70.8
203.05463	5.3
220.06194	6.2
265.60019	1.3
280.41101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.109
Annotation	Acanthomine A
Peak:m/z	Relative Intensity
55.01765	0.5
59.01269	2.0
67.01781	2.6
67.62894	0.4
68.99715	1.2
70.08883	1.7
71.01263	0.6
81.03371	2.4
83.01286	3.8
92.32626	0.4
95.01292	7.1
98.00047	0.5
107.01299	6.0
108.02095	4.8
109.02896	1.2
111.00797	19.1
123.00805	12.6
124.01595	16.4
125.02412	4.5
134.03632	0.6
135.00822	14.3
136.98709	1.1
139.00290	5.6
151.00354	0.8
152.01100	57.5
153.01654	1.7
162.01930	8.4
191.10759	3.4
198.03699	0.4
235.09746	1.9
262.10913	100.0
263.11221	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0932
Annotation	Peucedanol
Peak:m/z	Relative Intensity
51.78582	0.4
51.85149	0.5
52.10939	0.4
58.39981	0.4
59.01275	2.8
70.54624	0.9
71.01273	0.6
75.43462	0.4
76.18580	0.4
94.96225	0.4
101.02357	0.8
119.04960	1.0
129.03375	1.3
133.02931	0.5
139.03915	0.5
145.02850	0.5
146.03706	2.7
147.03300	0.7
147.04463	12.1
148.04861	0.4
161.02420	1.0
161.06068	1.7
165.01924	0.8
166.57343	0.4
172.05283	0.7
174.03198	15.4
175.03973	28.3
175.07600	1.8
176.04425	1.8
177.01883	0.8
179.03445	1.2
180.04210	1.4
187.03995	4.4
187.07581	0.8
188.04732	3.2
189.01889	0.5
189.05539	2.6
191.03476	1.8
195.82196	0.5
201.01898	1.1
202.02692	6.4
202.06319	1.4
203.03496	9.8
203.07117	19.2
204.04100	0.8
204.07507	1.1
205.05064	22.6
206.05591	1.8
219.02975	1.4
229.05109	0.9
231.04324	0.9
231.06657	21.0
232.07011	1.5
233.04562	3.4
234.05368	24.9
235.05695	1.4
235.09793	1.4
261.85019	0.6
263.09308	100.0
264.09650	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	261.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.3
59.01268	35.8
69.03358	0.9
69.38723	1.8
69.39156	1.7
70.02897	0.8
71.04932	0.5
72.04469	0.5
73.02889	0.7
74.02364	9.5
83.61575	0.4
97.06528	0.9
98.02374	2.4
98.19785	0.6
109.06557	1.3
111.08084	2.9
113.09676	0.5
116.03458	5.4
123.08105	1.0
125.09652	6.6
127.07558	0.8
128.03477	1.0
132.04489	3.3
141.09132	2.8
143.10715	13.4
144.04553	0.7
144.11050	0.7
155.10739	2.0
157.12299	3.1
158.06056	4.3
173.11720	1.0
173.33986	0.4
174.05563	1.3
201.06683	1.4
201.09547	0.9
201.11317	11.7
202.05161	2.4
202.06746	0.5
219.12384	100.0
220.12730	5.1
261.09219	2.8
261.13455	16.4
261.22473	0.6
262.13806	0.8
263.45477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02841	3.1
58.52737	3.3
59.01275	20.3
61.98735	6.4
69.03313	3.3
71.01274	100.0
71.55867	4.8
72.79165	3.1
73.02834	11.2
74.02359	9.7
78.28585	3.3
81.03337	3.9
82.02881	5.5
84.02025	4.4
85.02852	4.2
86.05925	3.3
87.05546	7.9
92.20236	3.2
94.81072	3.1
95.69740	3.0
98.02400	4.3
108.04440	3.3
109.06503	26.4
113.81646	3.6
116.55759	3.6
121.85433	3.2
125.05992	4.6
125.09653	13.2
127.11216	12.2
135.08095	5.3
137.09718	8.7
152.03505	4.4
155.08215	8.5
155.10692	6.4
163.11235	16.0
165.06662	4.8
165.80495	3.9
171.10231	88.6
181.12390	4.7
183.07732	13.1
187.09775	5.7
193.19347	3.4
199.09750	77.4
200.10065	3.3
201.11404	8.7
207.10268	24.7
208.10747	3.9
215.12962	6.0
219.12556	5.1
225.11339	14.1
227.06740	13.3
243.08578	5.4
261.05594	8.2
261.13483	10.7
261.22308	6.8
262.01517	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	261.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42020	2.1
58.00484	3.7
58.02845	2.9
59.01264	16.7
61.98729	4.2
64.63750	2.2
65.01340	2.0
66.04131	2.0
69.03339	2.2
71.01271	52.9
71.52169	2.0
71.52635	2.4
73.02848	10.0
74.02363	7.1
81.03337	5.2
83.04927	2.8
85.02846	3.7
85.41282	1.9
87.05538	5.2
95.04940	3.6
97.02841	6.5
97.04028	2.7
97.06470	8.0
98.02366	2.9
99.05537	4.5
109.06497	19.0
109.86385	2.0
112.03963	4.4
112.07578	4.0
113.03505	4.1
115.46838	2.1
124.03954	2.5
125.05965	2.7
125.09673	11.4
127.05011	3.0
127.11201	7.9
133.02887	2.4
136.05084	2.3
137.09660	5.7
138.05530	1.8
140.07100	5.9
141.76627	2.2
143.10760	2.6
148.05162	3.0
151.07574	2.5
153.09149	2.9
155.08208	6.9
155.10706	6.2
159.06592	12.9
163.07611	10.6
163.11259	10.6
165.06664	6.7
171.10225	57.1
172.10641	2.4
181.08673	3.8
181.12253	3.1
183.06401	3.7
183.07716	9.6
187.09666	2.7
199.09750	100.0
200.10040	3.0
201.11325	4.8
207.10292	15.7
216.06636	4.0
225.11340	14.5
226.92877	2.1
227.06740	16.5
244.06120	7.0
246.10785	2.1
261.07828	2.5
261.13385	5.1
261.22168	3.6
262.07263	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	260.0935
Annotation	Annomontine
Peak:m/z	Relative Intensity
52.39056	0.3
52.67945	0.3
56.60432	0.3
61.24715	0.3
67.01781	3.0
68.99715	1.1
69.03320	0.5
69.86211	2.0
71.01300	0.6
72.85178	0.3
81.03355	3.9
83.01275	3.4
95.01295	6.7
95.01904	0.4
97.06509	1.0
98.00027	0.7
107.01305	7.3
107.02036	0.5
108.02084	5.4
109.02874	13.3
110.03216	0.5
111.00800	18.4
112.01148	0.5
123.00814	14.8
124.01599	15.2
125.02396	5.8
135.00819	19.7
136.98730	0.6
139.00333	4.0
147.03218	4.5
151.00330	1.3
152.01109	60.2
153.01904	18.9
154.02223	0.4
162.01936	10.6
163.02296	0.4
189.09216	2.6
190.09528	0.4
191.02231	1.5
233.08150	0.9
260.09341	100.0
261.09659	9.0
261.22519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	4.9
59.01266	37.6
63.21646	0.7
69.03352	1.3
69.86935	2.0
69.87344	2.5
71.01271	0.8
71.04910	2.1
72.99172	0.9
78.95802	1.8
83.04921	1.0
85.02859	1.3
85.06465	1.4
87.02623	1.4
87.04419	6.4
88.73380	0.7
96.00788	1.0
96.95942	1.9
96.96861	1.5
97.06497	1.5
101.05975	3.1
102.28920	0.8
102.98494	1.0
109.06522	0.9
110.16618	0.9
111.08052	1.6
115.07530	1.0
119.05000	1.1
123.08069	0.8
125.09676	5.1
131.01630	1.5
135.08049	0.8
141.09145	1.7
143.10718	4.4
153.09155	1.8
155.10718	2.5
157.12257	3.9
173.11781	7.4
201.11308	25.4
202.11591	1.1
219.12384	100.0
220.12657	4.5
228.12392	0.8
261.00641	1.5
261.03076	1.3
261.13477	17.9
261.16150	1.5
261.19473	0.8
262.13776	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	3.1
59.01267	34.5
60.01613	0.5
64.31445	0.4
69.03351	1.2
70.00759	2.0
71.04919	1.5
73.02857	0.5
74.02367	1.8
76.88499	0.5
83.04913	1.1
84.80797	0.5
85.02847	1.0
85.06490	1.1
86.98563	0.5
87.04413	10.9
95.04932	0.8
97.06500	2.7
98.02397	0.5
98.20459	0.6
101.05989	2.1
107.08625	0.6
113.06018	1.3
115.07559	1.4
116.03452	1.3
123.08110	0.8
125.09631	4.2
131.01657	0.5
132.04535	0.9
135.08028	0.6
143.10727	0.9
153.09161	2.3
155.10664	2.4
157.12277	4.0
158.06017	1.1
173.11797	11.1
174.12099	0.7
201.11317	19.6
202.05057	1.2
219.12387	100.0
220.12703	4.4
261.09039	1.2
261.13443	15.1
261.22308	1.0
262.13852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	4.0
57.03317	3.3
59.01270	4.0
61.98738	1.7
69.03332	7.1
69.31350	13.3
71.01292	2.9
71.04910	6.8
72.99198	3.2
78.95805	2.8
81.03388	1.8
83.02402	2.4
83.04913	3.1
87.00783	2.1
96.96875	2.6
97.06478	2.4
97.74055	1.2
99.00780	17.6
104.99295	1.4
123.08036	1.7
125.09644	5.3
133.34332	1.3
151.11108	2.9
153.12793	4.5
163.11263	2.0
171.10257	3.7
175.03934	2.1
179.10732	6.4
187.07584	2.0
189.05626	1.7
190.03793	2.6
197.11826	100.0
198.12094	7.3
209.11835	22.0
210.12128	1.7
215.07143	3.9
216.08798	1.4
233.08096	11.0
241.10773	7.6
259.02475	9.7
259.06122	2.5
259.11923	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	259.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46407	0.6
54.12857	0.5
67.77718	0.5
70.76133	0.9
70.76508	1.2
72.97502	0.5
75.25769	0.6
75.70507	0.5
80.02565	1.7
81.03367	1.8
83.04920	6.5
84.02072	3.0
84.81642	0.7
94.78696	0.5
95.04964	0.7
99.20991	0.5
163.11272	5.9
165.12846	3.2
191.10764	1.5
209.11827	100.0
210.12186	7.9
227.12904	11.7
228.13179	1.2
233.08229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0933
Annotation	Annomontine
Peak:m/z	Relative Intensity
59.01255	4.8
61.57753	1.3
63.39315	1.6
67.01779	3.3
71.45753	1.5
71.53753	2.9
83.01266	5.4
83.54046	2.1
95.01270	7.9
108.02039	2.6
109.69839	2.0
111.00074	2.9
111.00803	29.4
123.00800	13.4
124.01598	27.3
125.09669	2.3
133.27115	1.7
136.01511	1.9
139.00278	5.4
149.35103	1.7
149.63885	1.5
152.01102	100.0
153.01483	4.5
162.90416	1.5
173.04765	3.7
189.09189	3.9
197.90260	3.2
204.28833	1.7
216.10326	3.6
233.08211	2.3
260.09369	26.1
261.15115	4.2
261.22357	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	257.2128
Annotation	2-Methoxytetradecanoic acid
Peak:m/z	Relative Intensity
59.01259	1.1
67.05191	0.3
68.20700	0.3
78.92974	0.3
83.04910	0.5
83.64545	0.3
96.95908	0.4
112.08430	0.3
114.88344	0.3
115.08639	0.3
116.92806	0.5
125.02319	0.3
158.93858	0.4
196.22142	0.3
197.90224	0.5
203.97386	0.7
207.10391	0.3
211.20689	4.1
219.84587	0.6
221.84209	1.8
225.11308	0.4
239.20204	1.2
242.87390	0.3
255.19702	0.7
257.04556	0.6
257.21286	100.0
258.21616	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	259.023
Annotation	D-Mannose 6-phosphate
Peak:m/z	Relative Intensity
57.22160	0.3
59.01272	3.5
69.03345	0.4
69.65513	2.7
71.01278	3.8
72.99204	1.8
73.02833	0.9
74.02362	1.1
75.00783	0.5
78.95796	94.6
79.95636	1.6
80.96414	5.7
82.96035	0.5
83.01289	0.7
83.78198	0.4
84.91792	0.4
85.02844	1.1
87.00773	2.7
87.05540	0.7
89.02335	1.3
95.01328	0.5
96.00761	0.5
96.95939	26.5
96.96864	100.0
98.20573	0.4
99.00763	1.0
101.02346	2.5
103.00272	0.7
109.02845	0.8
110.02373	0.6
111.00793	0.5
112.00292	0.5
112.03956	0.4
113.02361	1.1
114.01892	0.4
115.00233	1.1
122.97498	0.6
125.02340	1.3
126.01854	0.6
127.03913	0.6
131.03413	0.4
136.03944	0.4
138.96964	9.4
138.97949	5.8
141.01744	0.4
143.03458	0.4
152.98547	0.6
153.01836	1.2
161.00848	0.4
161.04463	1.0
168.98967	1.5
169.01340	0.5
179.00136	0.6
180.02914	0.6
182.99628	0.4
198.99026	6.6
213.05150	0.7
215.39626	0.4
218.18614	0.4
223.00047	0.6
241.00793	1.5
241.04546	0.7
242.03021	0.6
242.31575	0.4
244.29863	0.4
259.01431	32.7
260.01611	0.7
260.04163	0.9
260.07599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0934
Annotation	Lilioside B
Peak:m/z	Relative Intensity
52.82523	0.5
59.01268	100.0
60.01588	0.9
71.14787	1.5
85.02874	0.6
118.79932	0.5
139.33342	0.7
161.04568	1.9
185.87816	0.5
193.07227	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	253.2178
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
57.31812	0.3
59.01265	4.2
84.18052	0.3
87.11012	0.3
93.50420	0.3
98.20588	0.5
156.61357	0.3
157.18781	0.3
164.94218	0.3
199.85329	0.3
206.94739	0.3
225.18123	0.4
253.21773	100.0
254.22112	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.4
58.95433	0.3
59.01266	3.2
60.01600	0.4
61.01699	0.6
61.98719	0.7
69.03352	0.7
70.76217	0.9
75.00765	1.1
80.02566	0.5
81.03364	0.7
83.04925	2.2
95.04927	1.1
97.06491	9.0
107.78409	0.3
111.04428	0.4
123.08080	0.6
133.05098	0.3
133.10138	1.3
137.62648	0.3
149.09644	1.1
151.11232	33.5
152.11531	1.8
152.91685	0.7
179.10770	0.8
183.13881	10.5
184.14217	0.7
193.16022	0.6
194.92798	1.1
195.10252	1.3
212.93912	0.4
223.09712	0.7
237.14986	14.1
238.15311	1.0
255.12463	12.6
255.16286	1.8
255.23340	100.0
256.12802	1.1
256.23666	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	257.1763
Annotation	TETRADECANEDIOIC ACID
Peak:m/z	Relative Intensity
50.32137	0.4
54.47855	0.5
57.03325	0.4
59.01252	1.3
69.89144	2.5
78.95739	0.5
79.35741	0.5
83.04915	0.9
96.95908	0.5
99.00774	0.6
99.92447	0.5
115.91940	0.7
116.57880	0.4
143.95352	0.5
158.93954	0.4
159.30322	0.4
175.79083	0.5
193.15921	0.5
195.17526	41.7
196.17897	4.1
196.83270	0.4
197.90244	0.9
203.97253	0.8
213.18523	1.2
225.11316	1.3
239.16557	41.0
240.16875	3.7
257.17624	100.0
257.94836	0.7
258.17993	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	251.2023
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
55.11001	0.6
59.01276	4.8
62.17289	0.6
69.83308	3.8
71.01272	1.9
98.20622	0.7
101.02336	1.2
161.04449	0.7
207.13785	0.7
251.20210	100.0
252.20557	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	253.0933
Annotation	Lilioside B
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	1.4
69.60828	2.6
69.61232	1.1
71.01276	1.3
83.01267	0.5
85.02880	0.8
89.02365	0.8
98.20193	1.8
101.02369	1.6
111.67222	0.5
113.02372	0.6
118.15465	0.5
124.66709	0.5
161.04495	2.8
193.07216	3.0
253.09381	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	249.15
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
59.01260	5.4
66.96539	1.1
69.03346	28.3
70.84749	3.2
72.62297	1.3
83.04900	2.5
86.77700	1.1
95.04924	3.0
97.06489	1.5
109.06525	1.3
121.06497	1.4
122.60357	1.1
134.07295	1.4
138.83707	1.0
149.13306	2.5
161.13185	1.3
167.10718	2.9
171.10271	1.4
175.80713	1.0
176.85007	0.9
187.14987	1.4
193.12248	5.4
205.12357	7.9
205.15971	9.1
221.15488	14.3
231.13914	28.9
232.14326	2.6
249.14998	100.0
250.15385	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	250.0726
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
50.15226	0.3
58.26760	0.4
59.01258	1.6
64.13694	0.4
66.03377	0.4
70.37014	1.6
75.62517	0.3
76.78148	0.4
82.26271	0.4
96.95946	0.6
109.02863	11.9
110.03221	0.5
111.00819	0.4
114.05523	100.0
115.05853	2.7
123.00822	0.6
124.01569	0.6
135.00804	0.7
138.40953	0.5
148.04012	0.4
178.05063	0.5
193.15546	0.4
206.08229	23.5
207.08531	1.7
207.10286	0.5
219.24532	0.4
250.07253	43.4
250.14342	1.9
251.07640	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	251.1657
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
53.14822	0.8
55.16753	0.7
57.03340	0.8
58.13087	0.7
59.01273	5.6
59.98391	2.7
61.98731	1.6
71.01277	1.8
71.35716	1.7
79.95630	7.2
81.03360	0.9
81.06992	3.1
83.04919	1.3
85.02840	2.1
87.97943	0.8
89.02337	1.0
99.04426	10.8
101.02340	2.4
109.06534	0.8
119.08570	0.8
121.10138	5.8
123.37768	0.8
133.10110	1.2
135.08090	0.8
174.05342	0.8
177.16287	1.0
181.12306	0.8
187.14844	0.7
189.16461	24.2
190.16772	2.4
207.10304	0.8
208.13409	1.5
223.13370	1.0
225.11438	1.5
233.15561	1.6
237.09969	0.8
251.16579	100.0
252.07385	2.5
252.16899	11.0
259.99002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1658
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
54.11250	1.1
59.01040	1.1
59.01271	13.6
59.98415	1.4
61.31171	1.2
69.39577	1.0
70.25482	2.3
70.25841	4.5
71.01266	6.5
81.07008	1.3
85.02859	3.3
88.13567	1.1
95.01241	1.2
96.30863	1.1
97.15770	1.0
99.04423	9.9
101.02351	3.5
113.02320	2.3
121.10155	6.2
161.04539	1.3
189.16469	22.3
190.16864	2.2
207.13928	1.4
233.15709	1.7
251.12831	3.4
251.16582	100.0
252.16934	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	245.0933
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02597	2.4
58.02866	26.3
59.01262	2.6
61.98722	4.1
65.84377	1.2
65.99749	1.6
69.35694	10.3
69.36115	2.6
70.02874	13.5
72.00790	4.1
72.04437	3.6
74.02363	93.8
82.19345	1.2
93.92294	1.3
98.02386	23.6
116.03466	31.8
116.04969	31.2
130.06555	5.0
130.24565	1.1
132.61528	1.4
142.06537	6.7
146.02411	3.1
159.09265	7.2
160.51384	1.4
164.13982	1.3
167.03462	4.7
183.02933	1.7
186.05557	2.1
190.01524	1.7
201.10379	7.8
203.08258	84.2
204.08652	8.0
205.03868	9.2
209.11812	2.5
218.04613	13.8
245.05832	8.4
245.09354	100.0
246.09702	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	245.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51290	0.7
58.00466	0.9
59.01267	0.9
61.98716	1.3
69.57687	5.4
73.62741	0.6
80.02570	1.2
81.03343	1.2
83.01279	0.8
83.04916	4.0
84.02054	2.2
90.31198	0.6
95.04916	1.2
125.09626	3.3
127.11221	5.0
139.11244	1.2
154.24648	0.6
155.10706	1.7
163.11247	3.7
165.09163	3.3
165.12796	3.1
166.12852	0.8
171.10229	3.0
183.10234	1.2
191.10815	1.0
199.09665	2.0
201.11311	88.0
202.11636	7.2
209.11830	100.0
210.12173	9.2
227.12900	16.0
228.13356	1.7
240.84047	0.8
245.14014	3.0
264.16919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1708
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.08322	0.2
59.01262	0.4
70.37969	0.3
70.38357	0.2
81.02811	0.1
94.70993	0.1
147.04434	0.1
165.64891	0.1
183.08630	0.1
184.00208	0.2
186.95560	0.3
201.01152	0.1
204.15324	0.2
205.15976	0.3
220.16983	0.7
231.13972	0.4
247.17073	100.0
248.08017	0.4
248.17409	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	243.1242
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.97899	0.4
57.03336	0.9
58.00501	0.5
58.46561	0.3
59.01251	1.4
69.19402	0.9
69.19806	3.5
71.01264	0.9
71.04915	3.4
73.02834	0.7
83.04903	1.2
83.98404	0.4
86.23246	0.3
96.97782	0.4
97.02252	0.5
97.02852	6.4
97.06486	1.6
99.00783	22.0
106.04051	0.4
109.06549	2.2
110.03645	1.8
119.04922	0.6
123.08053	1.2
125.09651	5.8
127.11197	1.3
135.08052	1.0
136.05219	0.5
142.02637	1.6
153.12740	0.9
155.14357	1.8
161.09724	0.6
163.11240	9.1
164.11626	0.8
171.04413	0.4
171.10205	1.2
173.05766	0.4
179.10689	1.0
181.12312	24.1
182.12585	1.7
197.08119	0.4
197.11798	1.9
199.13391	18.4
200.13753	1.4
201.07661	0.4
207.10272	44.3
208.10562	3.6
215.09126	0.4
215.12801	0.9
216.07582	0.6
225.11343	85.9
226.11714	5.9
243.12421	100.0
244.12766	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	243.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52305	0.6
54.23103	0.6
55.01765	0.8
57.03337	0.8
59.01254	2.4
69.42941	4.8
69.43354	1.5
71.01272	2.1
71.04922	3.1
83.04902	0.8
83.44326	0.7
92.90382	0.7
97.02869	5.1
97.06483	1.4
99.00785	11.2
109.06508	1.0
110.03584	0.9
125.09651	5.1
127.11224	4.8
142.02646	1.3
145.10120	0.8
153.12794	1.7
155.14352	1.3
163.11255	6.4
171.10234	1.3
181.12315	18.3
182.12674	1.2
197.11819	2.9
199.13379	46.3
200.13745	3.5
207.10268	34.4
208.10588	2.9
225.11337	60.1
226.11679	5.9
243.02983	2.2
243.12410	100.0
244.12753	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	243.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60417	0.3
57.03329	0.4
59.01254	0.9
59.40245	0.3
60.50169	0.2
65.59075	0.3
68.94904	0.3
71.04917	2.5
71.61765	0.5
75.67017	0.4
83.04899	0.5
97.02856	3.5
97.06499	1.1
99.00784	12.4
109.06498	0.9
110.03647	1.1
123.08080	0.5
125.09639	3.9
135.08112	0.4
136.05229	0.6
142.02638	1.2
155.14381	1.1
161.09680	0.4
163.11241	4.9
171.10233	0.6
181.12309	12.0
182.12593	0.9
197.11766	0.7
199.13380	7.9
199.15092	0.6
200.13649	0.7
207.10255	26.7
208.10594	2.1
225.11336	54.4
226.11681	4.5
243.12410	100.0
244.12756	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18582	0.4
51.55751	0.4
59.01263	1.4
61.98707	1.3
70.04263	2.1
82.02905	0.4
83.04889	0.5
97.06433	0.5
102.27042	0.4
110.02404	1.5
111.00775	0.8
111.04504	0.4
122.20177	0.4
140.16492	0.4
152.01030	0.6
155.10719	0.6
167.10741	0.6
167.14403	0.5
171.10155	0.6
181.12404	1.1
183.12344	0.8
183.13863	7.5
184.14224	0.7
193.12373	2.0
194.83568	0.4
199.09850	0.4
199.13235	0.4
200.05618	1.1
207.10193	0.9
211.13394	100.0
212.11862	0.8
212.13751	9.0
213.05669	0.4
225.11293	1.7
243.02953	1.0
243.06451	1.2
243.10211	1.9
243.12483	2.0
243.16020	1.5
243.19676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0829
Annotation	Debromohymenialdisine
Peak:m/z	Relative Intensity
50.17367	4.4
55.97997	3.8
59.01265	7.8
62.52720	3.7
71.59047	4.0
71.61624	4.4
71.90060	3.5
72.99197	52.7
73.02850	4.5
80.04916	4.4
87.00769	5.6
95.40240	3.6
96.00829	11.1
96.08090	12.1
101.59358	4.1
104.25465	4.0
106.06528	15.5
110.24989	3.9
112.00236	3.7
113.06026	4.4
114.01883	11.3
120.08108	7.4
129.05461	8.7
136.07607	15.4
154.08682	40.6
158.41164	3.9
168.06609	38.0
170.08154	11.0
182.08199	35.0
217.14859	4.4
244.08304	100.0
245.08539	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	244.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24917	0.2
59.01263	0.6
61.98699	0.3
69.32417	0.2
69.33511	0.5
69.33918	2.3
71.01739	0.2
73.82085	0.3
76.01807	0.5
77.96177	0.2
88.22694	0.2
96.90809	0.3
97.06496	2.1
109.02896	0.3
118.02905	5.9
119.01180	0.3
146.02420	25.0
147.03198	100.0
148.03558	5.2
149.62749	0.3
159.04453	0.3
164.99239	0.2
173.06041	0.5
174.06725	0.4
189.09264	0.4
194.36053	0.3
199.13348	1.0
200.13765	0.4
209.11891	0.5
211.13812	0.3
216.10779	0.3
217.08748	3.4
221.82028	0.3
227.12894	0.3
244.09900	0.9
244.12535	0.3
245.04747	0.3
245.13995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00513	0.8
59.01243	1.0
60.98782	0.9
69.21742	0.8
69.34103	1.9
69.34505	5.9
82.75047	0.7
118.02903	1.0
119.69957	0.8
131.03700	3.1
134.02370	0.9
140.04982	1.5
142.06563	1.1
146.06024	0.9
155.03647	1.0
156.04488	3.9
157.05183	2.3
158.03690	4.0
159.04494	1.5
161.02383	2.2
168.04509	3.5
169.05244	1.6
170.02457	7.6
170.06076	3.2
170.12642	1.0
171.04515	1.9
171.06841	1.3
171.74883	0.8
172.05261	5.7
173.06026	1.3
181.05363	2.9
183.03235	3.5
184.04004	33.0
185.04498	2.8
185.06058	1.0
186.03201	14.1
186.05579	1.5
186.09216	3.4
187.04001	1.3
187.07654	6.8
196.04024	10.9
196.07727	6.8
197.04652	3.2
197.06241	1.2
198.05602	25.6
199.06372	100.0
200.04945	1.6
200.06721	7.2
202.06342	1.2
209.04781	2.2
212.03571	8.0
212.07161	7.0
213.04291	11.5
213.07832	2.3
214.04871	1.8
214.08742	7.7
215.07147	65.6
216.07494	6.1
224.07181	15.8
225.07713	2.0
227.05925	1.8
242.08260	66.5
243.08607	6.2
244.47266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17250	0.5
65.99707	0.5
68.01304	7.1
71.23434	1.0
72.33577	0.5
79.07009	0.5
130.04178	2.1
143.04927	1.0
144.05759	0.7
144.08127	0.8
145.02913	2.1
145.06569	1.1
146.03610	0.8
155.03722	1.9
156.04449	2.1
156.08179	0.6
157.05243	1.4
158.03668	4.2
159.04456	4.6
159.08092	1.3
161.02455	0.8
169.06544	0.9
170.02388	0.9
170.06081	4.5
171.03191	0.9
171.04492	3.3
171.06798	1.6
171.08205	0.8
172.05254	15.6
172.07555	1.2
173.02429	3.3
173.06038	10.8
174.02946	0.6
174.06648	1.1
180.08321	0.6
184.04007	20.6
185.04411	1.8
185.06084	1.6
186.03212	7.0
186.05539	1.5
186.06932	0.9
186.09271	1.0
187.03810	1.9
187.05934	1.0
187.07613	13.8
188.08028	1.2
196.04012	0.8
196.07639	1.4
197.06116	1.1
198.05562	6.0
199.02710	1.0
199.06346	6.0
200.04774	8.5
200.06958	1.6
201.05444	2.3
202.06352	4.4
212.03514	10.9
212.07266	1.5
213.04298	13.3
213.07802	1.0
214.04669	0.9
214.08798	2.8
215.07137	100.0
216.07480	9.3
224.07198	0.8
232.03842	1.2
242.08250	41.7
243.08644	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	242.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.3
61.98714	4.6
68.99738	0.6
71.62296	0.9
99.00801	0.7
102.51705	0.6
108.36548	0.6
109.92374	0.6
116.04967	1.3
116.99318	0.6
118.02940	0.9
118.06555	2.0
122.03549	0.6
132.04485	0.8
132.08112	0.9
135.04436	2.3
143.42653	0.7
146.02409	1.6
147.03163	2.2
160.03961	6.6
160.07631	4.7
170.06236	0.7
170.12663	1.2
171.09216	0.9
184.03978	1.6
187.05118	2.4
188.07144	100.0
189.07484	8.1
198.05556	1.9
199.06351	3.8
199.13303	2.7
212.03552	0.8
215.08377	27.8
216.08588	2.7
225.11333	2.1
229.75806	0.8
242.08299	3.0
242.11044	1.5
242.17638	0.7
243.03052	1.3
243.12364	6.5
243.16008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.7
59.31989	0.6
59.50683	0.5
68.01330	0.5
70.44158	0.7
70.44484	1.3
75.99261	0.5
106.81770	0.5
107.29655	0.5
109.02894	1.0
110.16226	0.5
137.66550	0.5
140.05008	2.2
142.02951	1.4
143.07368	0.6
144.08073	0.7
146.03725	0.6
146.06027	0.9
155.03583	0.6
156.04472	5.2
158.03667	4.4
159.04472	1.9
159.06816	1.2
159.08078	0.8
161.02396	2.3
168.04527	1.7
170.02428	7.6
170.06007	3.7
171.02831	0.6
171.04478	1.1
171.08133	0.6
172.05254	5.4
172.07568	0.9
173.05959	1.1
173.99506	0.5
174.03105	0.7
175.04016	0.9
181.05278	1.9
183.03204	3.9
184.04019	35.1
185.04550	2.5
185.05946	0.7
186.03195	16.8
186.06831	1.7
187.03839	2.3
187.07631	7.7
196.04013	11.1
196.07658	3.9
197.04626	3.4
197.06291	0.7
198.05589	26.5
199.06375	100.0
200.04779	2.9
200.06696	8.9
201.11241	0.8
202.06335	1.3
204.04298	0.6
212.03508	8.7
212.07104	8.0
213.04289	10.6
213.07515	0.9
214.04805	1.2
214.08746	1.7
215.07137	74.8
216.07468	7.0
224.07135	4.9
225.07869	0.7
225.11279	2.5
227.05968	2.8
241.07710	0.6
242.08253	45.4
243.02995	3.7
243.08606	5.8
243.12442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00239	0.6
51.47991	0.6
53.09522	0.6
59.01263	0.8
65.99738	1.1
68.01309	11.0
69.38329	1.7
69.38734	4.2
99.80173	0.7
130.04192	1.5
132.08145	0.7
143.04991	0.8
144.08145	1.0
145.02945	1.0
145.06543	1.9
146.03581	0.8
155.03690	1.9
156.04507	2.7
157.05292	2.2
158.03676	4.0
159.04475	3.5
159.08136	1.1
161.02396	1.0
161.28801	0.6
170.02461	1.1
170.06084	8.8
171.03217	1.9
171.04506	2.6
171.06766	2.1
172.05252	12.2
172.07584	1.7
173.02412	3.9
173.06049	12.7
174.06744	1.9
175.07463	0.8
179.76053	0.7
181.05344	1.1
182.27696	0.8
183.03160	1.2
184.04024	17.2
185.04526	0.9
185.06104	0.8
186.03197	6.5
186.05516	4.8
186.06845	1.2
186.09297	1.1
187.03801	1.5
187.07596	11.9
188.08064	1.1
196.04001	1.2
196.07671	1.9
198.05614	9.3
199.06361	10.3
200.04788	7.9
200.07069	2.0
200.10071	1.6
201.05554	4.9
202.06349	8.3
203.06889	1.0
212.03549	7.5
212.07156	1.3
213.04277	12.3
214.04626	1.1
214.08751	3.1
215.07147	100.0
216.07475	9.7
224.07190	1.6
225.11201	0.7
232.03770	1.4
242.08267	43.9
243.08688	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	242.0827
Annotation	Isotaifine
Peak:m/z	Relative Intensity
62.56718	0.7
71.24017	1.3
109.02902	1.4
129.61674	0.8
130.04184	0.9
140.42049	0.7
144.04398	0.8
144.08136	0.9
153.82964	0.7
156.04567	0.9
158.03679	7.6
159.04399	2.2
159.08139	1.5
161.02385	5.3
163.55177	0.8
170.02502	3.5
170.06097	1.4
171.04501	2.0
171.06837	0.9
172.05272	8.1
173.05832	0.9
175.03981	2.0
178.85307	0.8
181.05281	2.7
183.03186	0.9
184.04015	28.2
185.04352	3.5
185.05936	1.3
186.03197	22.6
186.06833	2.5
187.03545	2.0
187.07584	7.4
196.07709	3.6
197.04663	6.1
198.05582	14.3
199.06378	59.1
200.04767	2.4
200.06786	4.7
212.03607	5.0
212.07156	11.3
213.04277	6.5
213.07446	1.4
214.08725	2.0
215.07143	100.0
216.07477	10.2
224.07178	3.6
227.05910	3.0
242.08258	61.2
243.08621	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	242.0826
Annotation	Isotaifine
Peak:m/z	Relative Intensity
58.00873	0.8
59.01267	1.2
61.98719	1.6
64.01813	4.3
65.36877	0.9
65.99735	2.7
71.01258	2.2
71.62418	1.4
73.02819	1.1
76.59724	0.9
82.04012	1.1
95.04903	1.3
97.02844	1.0
99.55858	0.9
106.02892	2.0
107.04932	3.3
108.02113	0.8
109.02857	1.4
109.06431	0.9
118.02885	4.4
121.06493	1.0
130.04120	1.8
131.03699	20.6
132.04343	1.2
134.02412	4.2
140.04980	1.7
141.05763	1.2
143.04913	1.4
144.04500	2.1
144.05692	1.1
145.02782	0.9
145.05244	1.6
146.02409	2.0
147.03159	2.1
153.05788	1.0
156.04524	2.8
157.05290	8.9
158.03645	2.6
158.06064	4.2
159.03178	4.7
159.04474	4.7
159.08109	1.9
160.03903	2.1
167.07237	1.0
168.04459	4.9
169.05257	6.3
169.06587	2.2
169.08672	0.8
169.12315	1.7
170.06020	3.5
170.09695	1.5
170.12666	6.6
171.03226	4.3
171.04482	1.9
171.06834	5.0
171.08130	1.5
171.10179	4.9
172.05214	3.9
173.06035	2.5
181.05325	9.1
182.06088	2.2
184.03983	9.1
184.07648	1.1
185.04787	4.4
185.08467	1.2
186.01875	1.3
186.05594	10.4
186.09219	32.3
187.02650	10.4
187.04071	2.5
187.05917	1.3
187.07632	18.2
187.09515	2.7
188.07968	2.0
195.06908	3.0
196.07649	19.2
197.06081	4.0
197.08052	2.7
198.05501	5.2
198.09247	3.7
198.12218	1.5
199.04167	1.3
199.06377	7.1
199.09715	1.0
200.04727	3.3
201.05499	2.6
202.06364	5.8
207.10321	1.6
209.04816	14.3
210.05219	2.0
212.03522	8.6
212.07228	1.9
213.04369	9.1
213.07959	18.1
214.08719	32.1
215.05238	1.7
215.07190	26.2
215.09225	4.3
216.07494	2.8
223.06436	2.4
224.07181	82.8
225.07611	9.4
225.11339	3.9
227.05904	3.3
242.08263	100.0
242.10919	3.9
243.08652	12.2
243.12440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0826
Annotation	Isotaifine
Peak:m/z	Relative Intensity
55.38568	0.8
65.99727	1.1
68.01301	4.6
69.65270	2.2
69.65687	4.5
92.82630	1.0
111.23274	0.9
123.47308	1.0
130.04152	1.0
143.04959	1.2
145.06548	1.8
155.03848	1.1
156.04527	2.1
158.03650	4.3
159.04480	3.3
159.08180	1.3
165.63301	0.9
168.08194	0.8
169.06535	1.1
170.02443	3.0
170.06122	4.8
171.03151	1.3
171.04477	2.8
171.06760	1.7
171.08104	1.0
172.05251	14.6
172.07518	1.2
173.02397	2.2
173.06039	6.9
174.06726	1.9
181.05313	1.5
184.04002	22.9
185.04388	2.2
186.03191	10.4
186.06876	1.8
187.03822	1.5
187.07611	12.8
188.08006	1.4
196.03999	3.0
196.07780	1.3
197.04660	1.4
198.05588	9.0
199.02588	1.1
199.06355	19.4
200.04774	7.1
200.06693	1.7
201.05522	2.6
201.11282	1.8
202.06320	3.6
212.03542	11.6
212.07164	2.0
213.04282	14.1
214.04776	1.5
214.08644	2.2
215.07132	100.0
216.07478	9.8
224.07043	1.6
225.11333	1.4
232.03656	1.4
242.08252	41.6
243.08606	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	242.0827
Annotation	Isotaifine
Peak:m/z	Relative Intensity
59.01276	1.6
61.98730	1.0
69.03413	0.4
69.34856	3.6
71.01262	0.4
75.00761	0.4
86.56811	0.4
96.95936	1.1
109.02859	0.8
109.06529	0.5
121.06448	0.4
128.05020	0.6
130.04192	0.5
131.03746	0.4
133.53758	0.4
134.90863	0.4
139.07571	1.1
140.05005	2.2
142.02969	0.9
142.06602	0.5
143.04999	0.5
143.07333	0.4
144.04477	1.2
144.08102	0.6
146.06059	1.1
148.98973	0.5
155.03745	1.7
156.04491	5.4
156.05667	0.5
157.04967	0.6
158.03674	5.0
159.04491	1.8
159.06860	1.2
159.08101	0.8
161.02374	3.3
167.07030	0.6
168.04527	3.0
169.05202	0.5
169.06615	0.6
170.02437	9.7
170.06064	2.9
171.03104	0.6
171.04536	1.7
171.06735	0.6
171.10242	0.5
172.05266	5.3
172.07605	0.7
172.48378	0.4
173.06004	1.0
175.03987	0.9
179.07080	0.4
181.05316	1.6
183.03236	4.7
183.10266	1.1
184.04012	39.9
185.04433	3.2
185.06119	0.8
186.03189	15.3
186.06789	1.1
187.03629	1.9
187.07616	5.5
196.04018	12.7
196.07719	2.3
197.04649	4.7
197.05959	0.6
198.05586	27.0
199.06371	100.0
200.04791	2.0
200.06735	7.5
201.11275	1.0
207.10352	0.5
212.03548	10.5
212.07115	9.9
213.04303	11.4
213.07634	0.9
214.04973	1.4
214.08719	1.3
215.07135	65.7
216.07446	6.8
224.07219	3.6
225.07713	0.7
227.05952	2.1
240.06783	0.6
242.08258	43.7
243.08575	4.2
243.12415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0826
Annotation	Isotaifine
Peak:m/z	Relative Intensity
53.05457	0.7
56.18434	0.7
59.01269	1.8
61.98716	4.1
64.15675	0.7
65.01329	0.8
69.42184	2.5
69.42606	4.5
77.72480	0.7
82.03999	1.2
86.88146	0.7
96.95894	0.9
98.77435	1.1
108.02095	1.5
109.02874	1.4
110.02367	1.0
121.02861	1.0
134.37015	0.9
137.02403	0.7
143.04869	1.0
144.08131	0.9
151.99347	1.1
156.04518	1.0
158.03674	7.4
159.04454	1.9
159.06772	0.8
160.05132	0.9
161.02420	4.9
168.04439	0.9
170.02396	3.9
170.06032	1.8
171.04460	1.8
171.08107	1.0
172.05244	9.5
173.05974	1.3
175.04005	1.7
181.05309	1.9
181.12296	0.9
184.04019	31.0
185.04437	3.1
185.06018	1.5
186.03188	24.8
186.06808	2.6
187.03656	2.8
187.07616	7.3
188.04733	1.0
196.04080	1.3
196.07634	4.2
197.04689	6.1
197.06406	1.0
198.05595	17.1
199.06371	64.2
200.04799	2.9
200.06766	5.4
204.04372	0.9
207.10284	0.8
212.03537	4.4
212.07158	12.4
213.04250	6.5
213.07576	2.0
214.08783	3.5
215.07146	100.0
216.07506	10.2
224.07217	4.0
225.11357	1.0
227.05891	3.3
237.67622	0.8
242.08266	62.0
242.17833	1.5
243.04796	1.5
243.06799	0.9
243.08626	5.9
243.12462	2.7
243.16074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1086
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03344	1.1
59.01255	0.8
69.03349	3.8
71.04915	5.5
71.52098	1.2
84.70030	0.6
97.06469	0.8
98.22421	0.6
98.23316	0.7
102.97708	0.6
106.09576	0.6
123.08104	1.6
125.09640	2.8
151.11230	1.1
153.12825	3.5
153.90149	0.7
161.09683	1.9
179.10727	6.2
188.07164	2.7
197.11818	100.0
198.12154	8.3
223.09729	2.8
241.10846	76.7
242.11212	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	241.1086
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.46177	0.5
59.01277	3.8
60.08757	0.5
60.86936	0.5
61.98706	1.9
64.35058	0.6
70.49776	1.9
71.01290	0.9
83.02413	0.9
87.00779	5.6
102.49027	0.6
103.19893	0.6
111.00849	0.6
125.09658	0.7
127.11368	0.6
130.68364	0.6
151.11197	1.5
158.03621	0.9
168.18307	0.7
169.12303	100.0
170.12639	8.1
179.10745	1.9
183.10194	0.7
184.04025	1.7
186.03242	0.9
197.11824	22.7
198.12155	2.3
199.06247	3.0
212.03355	0.6
213.11346	1.0
215.07169	4.7
223.09692	2.4
241.10852	57.8
241.14653	1.7
241.18094	1.5
241.21761	2.0
242.08260	2.8
242.11198	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	241.1449
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
57.03351	1.0
59.01270	6.1
59.61500	0.6
61.01680	0.8
61.98706	3.0
71.01289	1.0
71.04932	0.7
71.53447	0.9
81.03372	3.8
83.01282	20.6
83.04927	2.3
84.01622	0.9
84.02071	5.6
86.00830	0.7
93.03410	0.7
95.04935	0.8
97.02821	0.9
97.06499	2.6
99.00764	0.8
99.04421	0.8
101.05962	0.8
106.36429	0.6
109.06475	0.8
111.08096	1.3
123.08106	1.6
125.09650	16.1
126.09977	1.0
135.08138	3.1
137.02437	0.7
147.11745	2.1
163.11234	6.5
164.11551	0.8
165.12787	4.9
165.26404	0.6
167.15588	0.7
169.15936	0.7
173.09665	1.2
181.06039	2.9
181.12321	1.9
191.08998	1.4
191.10757	23.6
192.11082	2.8
197.11813	2.8
197.15463	6.2
199.06419	0.9
209.11827	41.1
210.12183	3.5
221.32491	0.7
223.13391	11.0
224.13762	1.0
225.02722	0.6
225.15022	0.7
226.12140	20.8
227.12463	1.9
238.83029	0.6
241.04994	1.6
241.14485	100.0
241.17900	3.0
241.21695	3.8
242.08247	1.1
242.14848	10.7
242.17390	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1085
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
56.34842	0.4
57.03328	0.4
59.01270	1.1
61.98737	1.1
65.01340	0.5
70.58831	1.1
73.02844	0.6
87.00788	0.4
92.93362	0.4
96.95918	0.8
106.04035	0.5
109.02855	0.4
117.95055	0.4
131.03700	1.2
137.27919	0.4
140.04990	0.6
145.63264	0.4
147.18132	0.5
151.11249	1.4
153.09117	0.5
153.12773	0.6
155.10663	0.4
156.04491	1.5
157.05264	0.8
158.03683	1.3
159.03214	0.7
159.04457	0.6
161.02357	0.5
168.04469	0.4
169.12305	100.0
170.02423	2.2
170.06125	0.8
170.12651	6.1
171.03146	0.5
171.04533	0.5
171.06839	0.8
172.05208	1.0
179.10748	0.7
181.05342	0.8
183.03249	0.9
184.04034	7.6
186.03166	3.4
186.05583	0.5
186.09207	1.8
187.07596	1.9
196.04012	2.4
196.07687	1.3
197.04752	0.7
197.11819	20.1
198.05605	6.3
198.09163	0.5
198.12137	1.2
199.06374	21.8
200.04829	0.7
209.04848	0.8
212.03580	2.7
212.07129	2.0
213.04236	3.0
213.07906	1.0
213.11235	0.5
214.08751	1.7
215.07146	14.8
223.09805	1.1
224.07162	4.2
227.05930	0.6
241.10854	43.8
241.21817	0.6
242.02283	0.6
242.08270	15.0
242.11162	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	241.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46831	0.4
59.01272	1.1
61.53517	0.4
61.98711	1.2
64.01782	0.4
65.99736	0.8
69.03340	0.8
69.63185	2.6
69.63597	0.6
83.04942	0.5
87.00759	0.6
95.04919	0.4
106.04089	0.4
107.04935	1.0
109.02883	0.5
118.02909	0.7
130.04089	0.6
131.03696	3.3
134.02330	0.4
141.05937	0.5
146.02383	0.5
146.03563	0.5
147.04381	0.5
151.11237	1.3
153.12839	0.4
156.04514	0.8
157.05287	2.7
158.03683	1.0
158.06027	0.5
159.03214	1.3
159.04443	0.9
160.01601	0.6
160.03993	0.5
162.15155	0.4
168.04430	0.4
169.05260	1.5
169.12303	100.0
170.06117	0.5
170.09732	0.5
170.12654	7.9
171.03107	1.0
171.04553	0.5
171.06793	1.1
172.05173	1.0
173.06068	0.9
179.10703	0.5
180.08363	0.4
181.05202	0.9
184.04060	2.6
185.04794	2.3
186.05573	1.5
186.09210	4.9
187.02728	1.2
187.04158	0.6
187.07614	3.6
195.06836	0.9
196.07674	2.7
197.06082	0.5
197.11815	21.9
197.21700	0.4
198.05609	1.5
198.09325	0.6
198.12184	1.6
199.02522	0.6
199.06264	2.3
200.04790	0.6
202.06320	1.0
209.04811	2.2
212.03523	2.7
212.07266	0.6
213.02316	0.4
213.04326	1.8
213.07950	4.4
213.11252	0.5
214.08823	6.1
215.07164	7.1
224.07176	14.5
227.05890	0.6
241.10852	46.0
241.18010	1.0
241.21768	1.8
242.04765	2.2
242.08263	25.2
242.11118	4.9
242.17622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	16.1
70.54646	1.7
71.01288	0.5
87.00779	1.7
107.78289	0.4
115.30103	0.5
136.74976	0.4
161.04510	2.2
179.05580	10.9
183.13898	6.5
184.14267	0.5
193.12326	1.4
195.13921	0.9
211.13397	100.0
212.13747	9.6
226.37552	0.4
229.63976	0.4
235.98622	0.5
238.15350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.01266	24.1
59.96609	0.7
67.32394	0.3
67.78300	0.3
69.17977	0.3
70.48528	0.3
71.01257	0.5
71.23654	0.5
73.02836	0.3
74.98970	9.4
75.98919	0.4
85.02854	0.7
87.00784	2.8
91.02116	10.3
92.02061	0.6
93.00033	4.2
99.00800	1.0
101.02390	0.4
112.49822	0.3
117.01846	0.7
125.02371	0.5
141.01913	0.4
149.00891	4.1
161.04527	2.8
179.05579	17.3
180.05937	0.7
206.99684	3.0
207.99800	0.4
223.02852	100.0
224.02882	13.6
239.05904	0.8
239.12907	0.5
241.03960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	3.5
59.01267	42.3
61.98711	2.5
65.99739	1.1
68.01302	7.8
69.03316	0.9
69.50618	1.4
69.51022	4.7
70.83181	0.8
71.01289	1.2
72.99200	6.8
85.02865	1.3
93.07011	7.5
95.04926	0.7
106.04062	1.1
107.08570	2.3
109.06524	3.0
111.04417	3.2
116.80714	0.7
119.08588	17.3
120.08952	1.1
130.04124	1.9
135.08087	7.1
145.02899	1.7
145.06543	1.8
146.03468	1.1
155.03694	2.8
156.04504	3.9
157.05336	2.0
158.03668	3.4
158.07240	0.9
159.04453	2.8
159.08069	1.5
163.07632	5.3
168.04613	0.8
169.06543	0.9
170.02405	2.1
170.06064	8.9
171.03123	2.3
171.04495	3.8
171.06827	2.1
172.05266	12.6
172.07660	2.4
173.02391	5.6
173.06036	9.5
174.03185	0.9
174.06850	2.0
175.07558	0.9
179.70995	0.9
181.05273	1.7
181.08662	13.6
182.08966	1.1
183.03265	1.9
184.04008	19.7
185.04713	0.9
186.03206	7.4
186.05516	2.5
186.06888	3.3
186.09200	1.9
187.07639	11.9
196.04008	2.1
196.07642	2.9
197.06142	1.1
198.05595	10.3
199.06619	14.0
199.09740	100.0
200.04750	8.8
200.10005	6.7
201.05634	2.6
202.06316	6.1
212.03525	10.3
212.07143	3.2
213.04280	10.7
213.07773	1.4
214.06319	1.0
214.08885	1.7
215.07138	96.8
224.07185	2.3
227.05864	0.8
232.03783	1.4
241.05104	1.1
241.07324	2.2
241.10812	3.4
241.14474	1.1
241.18063	1.8
241.21826	2.3
242.08264	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1499
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03339	17.8
59.01265	5.3
61.98726	0.6
69.55655	2.1
69.56061	0.6
71.01273	1.4
73.02829	0.6
83.04921	3.6
85.02840	0.7
89.98505	0.4
101.02358	1.0
104.91649	0.4
107.73286	0.3
109.06517	1.2
112.79266	0.4
116.92743	0.6
123.08080	0.5
123.69752	0.3
129.01860	0.4
135.08118	0.3
139.11275	0.5
141.09125	0.5
149.09644	0.6
161.04526	0.5
167.10715	2.7
168.11160	0.4
175.14931	0.5
177.12833	1.0
179.10707	3.0
193.15987	3.2
195.13879	4.6
195.58769	0.4
196.14349	0.5
219.13892	0.9
237.14995	100.0
238.05069	0.5
238.15341	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	237.15
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
55.01746	0.4
57.03343	19.3
59.01271	5.0
60.97500	0.4
61.80414	0.4
61.98703	0.5
71.01276	0.6
71.44614	0.9
72.89478	0.3
73.02856	0.6
74.89697	0.3
76.10990	0.4
76.86557	0.3
79.75627	0.4
83.04917	3.3
85.02828	0.5
85.06498	0.5
96.95932	0.4
109.06521	1.1
115.35566	0.3
117.33913	0.4
129.01863	0.6
135.11694	0.7
149.09691	0.6
167.10728	3.0
177.12860	0.8
179.10735	2.9
193.15988	2.2
195.13881	4.8
209.15439	0.6
219.13901	1.1
237.14996	100.0
238.05191	0.4
238.15338	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	237.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
58.99487	0.3
59.01265	1.6
62.34821	0.3
70.88532	0.7
70.88894	0.5
71.01273	23.5
71.89615	0.3
72.01595	0.7
72.99190	0.5
73.02850	0.5
74.98985	4.4
75.00769	0.7
80.96394	0.3
81.19996	0.3
84.44799	0.3
85.02845	0.8
87.00774	21.3
88.01147	0.3
89.02356	0.7
96.95911	0.3
97.02885	0.6
99.00799	0.4
101.02342	1.0
105.00066	8.6
105.03702	0.4
107.01641	0.9
113.02349	0.4
115.00289	65.9
116.00600	2.0
120.99574	100.0
122.00006	1.8
125.02374	0.5
129.01881	3.9
129.13622	0.3
136.99074	1.7
137.54874	0.3
144.84494	0.3
147.03079	0.4
148.99089	5.7
149.02678	1.2
149.99394	0.4
165.05463	0.3
177.05479	0.7
191.82408	0.3
200.97797	0.3
206.98050	0.3
237.00777	13.7
237.04111	3.0
237.06389	1.9
237.09666	0.3
238.01076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
53.30947	2.5
57.03331	2.8
59.01270	5.6
60.16922	2.8
69.94648	8.8
69.95059	6.1
71.01287	5.6
72.99202	5.4
73.02847	2.9
75.00755	3.4
78.24855	2.7
80.96431	4.7
85.02847	8.4
87.00777	100.0
88.01117	3.2
91.03227	2.5
92.01310	2.4
103.00268	2.9
116.24783	2.6
125.00379	3.2
128.73097	3.0
129.01862	15.3
131.03424	3.5
139.00281	4.7
140.42474	3.1
154.41080	2.9
154.99774	4.5
157.01341	2.9
225.08221	2.6
237.06168	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	237.0619
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03336	9.0
59.01255	24.3
70.99909	11.5
71.01271	31.1
71.04906	11.2
72.99203	100.0
73.02845	25.6
75.00764	8.9
79.77535	4.4
81.09532	3.8
83.01265	4.6
84.99205	7.7
85.02854	11.5
86.72021	3.8
87.00779	25.3
99.00745	5.8
99.04423	11.8
100.98711	11.4
101.05994	4.9
102.62056	3.6
103.00278	35.1
111.04441	9.0
113.06010	12.9
115.03913	7.6
129.01840	5.6
129.05527	6.4
129.61273	4.1
143.03410	25.9
145.05011	4.7
146.99326	26.3
148.61734	3.5
152.92023	3.5
161.04453	6.3
177.03992	4.9
205.03503	4.7
219.05157	10.3
237.03941	7.4
237.06158	89.7
238.06372	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	235.0615
Annotation	Radicinin
Peak:m/z	Relative Intensity
59.01270	7.9
61.98724	0.7
70.96159	2.1
76.06184	0.7
91.05482	1.0
93.03384	2.0
95.01320	0.7
95.04951	1.8
103.05483	1.0
105.03360	7.7
108.02076	1.4
109.02912	1.1
111.00804	0.8
119.04948	7.8
121.02834	3.6
122.79445	0.7
123.04402	0.8
132.02087	10.3
133.02888	64.0
134.03590	6.2
135.04440	10.9
136.01601	8.5
136.04843	1.1
137.02376	2.6
146.03708	1.4
147.04457	52.4
148.01549	1.0
148.05263	20.7
148.48895	0.6
149.06067	3.9
151.04007	5.1
153.05481	3.7
158.03696	4.6
159.04385	0.8
160.01614	39.2
161.02190	3.7
162.03165	1.8
162.06807	3.3
163.03960	5.6
163.07610	5.5
164.04654	3.0
173.06097	0.9
174.03177	2.9
175.03963	34.7
176.04752	93.8
177.01898	27.1
177.05096	8.0
178.02345	1.2
188.13033	0.7
191.07112	100.0
192.04286	8.5
192.07442	9.0
193.04929	1.4
207.06589	6.2
220.03763	22.3
221.04102	2.0
235.06128	38.7
235.13525	1.2
236.06642	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	236.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98729	0.3
69.58560	1.3
71.01292	0.5
75.00756	0.3
85.02841	0.2
101.02374	0.2
129.01846	0.2
134.03674	0.6
135.04494	0.4
136.05235	0.7
148.05244	7.5
149.05533	0.4
149.09702	1.1
155.83704	0.2
159.57417	0.2
161.04529	0.2
162.06856	0.2
175.07635	0.4
176.08386	0.7
177.09181	39.1
178.09528	3.3
179.10898	0.2
190.09966	1.4
191.10706	0.9
192.11543	30.1
193.11920	3.3
201.09250	0.3
203.07150	0.5
211.42029	0.2
217.08693	2.7
218.09497	7.1
219.09807	0.7
236.10565	100.0
237.10945	11.8
237.14943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1085
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
57.03335	3.5
59.01258	0.6
59.12171	0.4
60.99193	0.4
61.98712	1.4
65.99741	0.6
69.03339	1.6
71.06512	0.4
72.99203	0.8
75.93158	0.4
98.19662	0.8
121.05016	0.6
123.08073	0.5
125.09666	3.7
126.84461	0.4
127.11199	0.9
132.05588	0.6
139.11223	1.3
141.12807	3.9
155.10719	1.5
160.05054	0.5
161.08421	0.4
164.67189	0.4
167.10732	3.1
171.10211	0.7
176.42944	0.4
185.11809	100.0
186.12140	8.6
201.11308	1.4
203.05568	0.5
229.03033	0.4
229.05075	0.5
229.10841	18.6
229.14380	0.8
230.11205	1.5
230.13701	0.6
245.47945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0674
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
59.01255	3.7
65.03845	1.2
65.99741	1.3
66.03380	0.9
68.01304	1.2
69.03347	2.9
69.37158	9.7
69.37503	1.3
71.01282	5.9
72.99199	2.8
73.02840	3.4
75.00749	1.0
78.95821	1.1
80.05549	0.9
81.03352	1.5
83.01304	0.9
84.00806	0.9
85.02847	3.1
87.00780	25.7
90.20763	1.0
92.83029	0.9
94.02917	1.1
95.01297	1.0
96.00825	1.5
96.95950	1.3
97.02845	2.2
98.02377	2.4
99.00839	1.7
99.04408	1.3
101.02389	1.7
108.04486	1.4
109.02866	13.4
110.02386	1.6
111.00785	1.9
111.76687	1.1
112.00299	3.1
113.02339	1.7
115.00318	4.8
117.01857	1.2
121.02868	2.5
123.04458	2.7
124.03970	5.0
125.02395	6.2
126.01862	1.9
127.00309	1.3
127.03953	10.5
129.01846	1.0
132.04475	5.2
141.01886	1.5
145.01422	1.2
148.03961	1.3
149.02367	2.0
150.01920	5.4
150.05544	4.2
153.01878	5.1
156.02968	1.3
159.02931	0.9
166.04987	1.6
168.03009	1.6
169.01379	2.2
171.02954	18.2
176.03494	9.8
189.04012	2.9
194.04573	9.0
194.89803	0.9
212.05630	1.2
230.03053	3.1
230.06717	100.0
231.07040	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	233.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	5.5
59.01268	100.0
60.01610	1.8
60.24922	0.7
60.99198	1.3
67.01791	4.4
68.99703	1.4
69.03352	1.3
71.01273	18.0
72.99212	1.6
73.02849	2.9
75.00791	1.1
78.95812	0.8
83.01279	3.4
85.02859	3.1
87.00773	6.6
93.03362	16.8
96.96883	2.8
99.00785	6.2
99.04450	0.6
101.02379	1.3
101.99817	0.7
104.03442	4.9
109.02904	1.0
111.00788	6.2
111.04460	2.7
115.00311	0.9
117.05493	0.9
129.01874	11.5
129.05554	0.9
135.02986	3.6
147.02989	0.7
173.00986	0.7
173.04524	20.4
173.06017	1.0
173.08218	3.1
174.04901	1.5
191.01897	1.2
191.09215	6.7
233.04713	0.9
233.06818	2.5
233.10251	1.5
233.15523	13.4
234.06313	0.8
234.09915	4.5
234.11917	0.7
234.15842	1.0
245.11485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34797	0.2
56.21937	0.3
59.01268	29.4
59.96620	0.3
60.01591	0.4
60.97395	0.3
60.99196	0.5
67.01788	1.0
69.03335	0.3
70.55219	0.8
71.01295	0.3
74.98963	6.1
75.00762	0.3
91.02123	1.0
93.00024	2.8
93.03359	5.9
111.04432	0.9
112.21230	0.2
118.96188	0.8
131.79315	0.3
132.97609	0.3
134.99332	6.3
135.99364	0.4
136.97281	2.5
141.23708	0.2
143.05331	0.5
149.00908	61.7
150.00865	4.6
150.98824	0.8
152.96803	0.3
159.08447	1.9
161.06352	3.7
173.04521	7.4
173.06021	0.4
174.04829	0.7
178.84578	0.3
215.05667	1.1
217.07222	86.7
218.07356	10.8
233.10368	100.0
234.10529	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	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03348	0.4
69.70631	0.3
69.70972	2.8
83.04926	0.6
109.60146	0.3
111.08066	1.0
165.12807	19.6
166.13185	1.8
183.13876	100.0
184.14204	8.9
209.11852	4.5
210.12137	0.6
227.03627	0.6
227.12906	24.7
227.20204	1.2
228.13133	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	228.0516
Annotation	Showdomycin
Peak:m/z	Relative Intensity
53.23282	1.7
59.01266	3.8
65.99735	22.4
66.96974	1.7
67.01778	2.4
68.01298	5.4
68.99707	2.9
69.03330	7.3
71.01273	16.1
71.44086	3.2
71.44443	2.3
72.35966	1.7
72.99207	3.5
73.02841	5.7
78.95780	10.0
81.03353	4.5
82.02872	5.5
83.01263	3.3
85.02855	7.2
87.00780	30.5
94.02900	8.8
95.01289	6.0
96.00809	7.8
96.95918	21.3
96.96842	12.6
97.02853	9.1
98.02377	4.3
98.20091	2.2
99.00779	3.0
101.44470	2.3
108.02063	2.6
109.02872	2.7
110.02367	9.4
111.00821	3.9
111.04387	2.0
112.00347	2.5
112.03951	2.6
113.02332	6.3
114.01886	2.1
115.00291	8.2
121.02896	10.5
122.02388	2.2
122.06041	3.4
123.00813	3.8
125.02373	100.0
126.02691	4.2
129.01831	3.2
136.03957	3.1
139.00336	3.9
139.03949	13.1
140.03429	8.0
141.01891	2.6
148.04012	19.4
156.92447	2.0
164.03519	17.1
165.01871	5.6
166.01343	2.6
166.05054	24.6
169.01389	24.1
175.02425	5.7
186.04060	3.4
192.03008	35.4
193.03444	2.1
210.04074	84.0
211.04404	6.9
228.05157	40.7
229.00339	7.5
229.05217	4.7
229.14545	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	6.1
60.99189	0.7
61.98733	1.4
69.03367	0.9
70.13303	0.6
70.27370	1.3
70.27760	1.2
80.02589	1.3
81.03349	1.9
83.04912	2.3
84.02070	1.1
85.02861	0.9
86.09427	0.6
93.03342	1.3
95.04930	1.2
97.02850	9.5
99.00803	0.7
99.04427	1.0
106.04117	0.8
107.04968	0.7
109.06509	18.8
110.03654	3.4
110.06841	1.4
121.06509	1.6
125.09642	1.1
135.08054	2.3
136.05205	1.4
140.16951	0.6
140.87689	0.6
142.02655	4.3
151.11234	0.8
153.12804	7.2
161.09630	1.1
163.11240	15.0
171.13823	1.5
179.10799	1.2
181.12300	13.9
182.12616	1.4
189.09247	0.8
195.02991	1.0
197.11835	3.6
198.12140	1.0
207.10257	66.2
208.10548	7.0
210.05273	0.8
225.11330	100.0
225.92528	1.2
226.11693	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	227.1291
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
55.81752	1.6
58.00467	2.8
59.01259	6.2
61.98711	2.3
65.01332	3.3
71.01266	1.7
71.04922	2.0
71.59949	2.2
72.99229	1.8
76.82740	1.3
82.01730	1.6
83.04902	8.3
84.00955	1.4
84.02093	2.8
89.01317	1.3
95.04919	1.5
99.92498	1.9
106.04007	2.2
130.03999	1.8
131.03651	2.2
132.05612	2.2
137.02391	1.5
139.11235	2.5
141.12793	2.4
163.11218	6.0
165.12772	7.4
169.12318	7.5
170.61327	1.6
174.06749	1.7
181.12375	2.3
183.08191	1.8
183.13849	10.0
184.00372	1.4
191.10751	2.4
199.13377	32.4
200.13724	3.4
201.07774	2.1
208.93466	1.4
209.11827	100.0
210.12146	10.4
227.03549	3.1
227.07202	4.1
227.09286	3.4
227.12938	33.5
227.16554	6.2
227.20163	16.0
228.13315	4.6
228.16692	1.6
228.20535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.39757	0.3
55.01780	0.3
58.00489	0.4
59.01268	0.6
67.41309	0.2
67.41673	0.3
68.38071	0.3
69.34988	0.6
69.35397	2.4
69.91917	0.3
71.04902	0.4
80.02570	1.8
81.03368	1.6
83.01262	0.4
83.04458	0.5
83.04923	6.5
84.02056	3.4
85.02401	0.3
95.04935	1.1
97.06528	0.4
109.06522	0.5
125.06014	1.0
125.09660	0.3
130.69429	0.4
135.08110	0.7
147.11676	0.5
153.12796	0.5
163.11255	5.5
164.11591	0.3
165.12811	4.0
166.13231	0.3
181.12323	1.3
183.13875	0.6
191.10745	1.3
199.13402	5.5
200.13676	0.7
209.11830	100.0
210.12167	10.2
227.12909	14.7
227.16379	0.7
227.20213	0.6
228.13239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04902	0.4
71.41019	0.9
80.02554	1.6
81.03346	1.2
81.65482	0.3
82.94063	0.3
83.04911	4.8
84.02052	3.1
93.03413	0.4
95.04935	1.0
119.43530	0.4
125.05978	0.6
135.08092	0.7
163.11232	4.3
165.12820	2.9
181.12312	0.7
191.10744	1.2
209.11823	100.0
210.12155	9.9
227.12947	3.5
228.13184	0.6
245.81616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
50.87265	0.5
57.03326	1.8
58.00483	6.1
59.01265	16.7
60.01632	0.5
61.98701	0.8
65.51985	0.5
65.84858	0.5
69.03343	0.8
69.98309	2.9
71.01265	2.0
72.99185	1.5
73.02837	1.6
80.02501	0.5
81.96736	0.6
83.04894	1.8
84.02064	0.7
85.40134	0.6
87.90784	0.5
95.04925	0.6
97.06483	0.6
98.20474	0.9
99.92493	0.5
100.03962	0.5
105.05465	0.4
111.08062	1.0
118.02943	0.5
123.08064	0.7
136.91772	0.5
137.09747	0.7
139.05441	0.8
139.11209	2.6
141.12778	10.8
142.13081	0.7
151.11224	0.5
153.12756	1.5
155.04953	1.0
157.02849	0.6
163.11201	1.4
165.12801	3.8
166.02234	0.5
167.10713	3.8
169.12302	28.1
170.12624	1.8
171.13850	6.3
179.10689	1.4
181.12299	3.3
182.03691	4.4
183.02980	0.7
183.04494	9.2
183.13864	2.4
184.04881	0.6
185.02435	5.6
185.11784	2.1
186.02747	0.7
191.10797	0.7
197.11852	2.5
199.13383	100.0
200.13728	9.2
209.11815	19.2
210.12170	2.1
222.44833	0.6
227.03516	47.1
227.05424	3.0
227.12898	22.8
227.16597	1.4
227.20111	3.6
228.03879	5.7
228.13289	2.2
229.63770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.76893	0.5
58.85832	0.5
58.98410	0.5
59.01264	5.3
61.98715	2.3
69.03364	1.0
71.01178	0.9
71.01499	0.6
71.04905	0.8
73.02830	1.4
75.80449	0.4
80.02566	0.8
81.03343	2.2
83.04918	2.2
84.02064	1.3
84.50998	0.6
93.03358	1.2
95.04953	0.9
97.02853	9.5
98.03188	0.6
99.00801	1.4
99.04470	0.8
109.02885	0.8
109.06502	22.0
110.03645	4.7
110.06857	1.1
121.06512	1.3
123.04430	1.1
125.09660	0.8
135.08096	3.0
136.05223	2.0
142.02675	4.6
151.07651	0.6
151.11218	0.5
153.12798	3.7
161.09691	1.7
163.11246	17.3
164.11575	1.2
165.09184	0.7
171.13846	1.0
178.83412	1.1
181.10789	1.0
181.12318	13.6
182.12683	1.4
189.09186	0.7
197.11826	3.4
207.10262	71.9
208.10558	7.2
210.05283	0.7
225.11337	100.0
225.14990	4.4
225.92639	0.6
226.11667	10.6
226.15118	1.0
232.21187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64939	0.7
51.54200	0.7
59.01267	8.8
60.99184	0.8
61.98711	1.3
62.76891	0.6
66.70638	0.6
69.03350	1.2
70.83230	1.9
79.33397	0.8
80.02585	1.1
81.03365	3.8
83.04912	3.2
84.02063	2.0
85.02818	0.8
92.55251	0.7
93.03363	1.8
95.04932	1.1
97.02862	10.0
97.06535	1.2
99.00774	0.9
107.04956	0.9
109.06510	33.6
110.03666	4.2
110.06846	1.3
111.04392	0.7
121.06498	2.7
123.04449	1.4
135.08096	4.5
136.05293	1.7
142.02663	4.7
147.04419	0.7
151.11272	0.7
153.12865	4.6
161.09688	1.9
163.11234	21.0
164.11572	1.6
171.13898	1.3
181.10818	0.8
181.12340	13.4
182.12697	1.4
189.09180	1.0
195.02919	0.8
197.11797	2.7
207.10265	85.4
208.10625	9.0
210.05380	1.0
212.72908	0.8
225.11333	100.0
226.11667	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	225.1135
Annotation	Stagonolide
Peak:m/z	Relative Intensity
57.52782	0.5
59.01256	1.4
69.46308	0.6
70.54854	2.1
71.04929	0.8
75.05700	0.6
77.50498	0.5
81.03358	0.7
83.04910	1.5
97.02855	8.3
98.03134	0.6
99.00784	3.8
109.06521	5.7
110.03645	3.1
123.04461	0.6
125.09637	1.7
135.08125	1.1
136.05226	1.7
136.58684	0.6
142.02710	3.5
145.10197	0.7
163.11256	10.5
164.11508	0.9
179.10724	0.6
181.12325	27.5
182.12627	2.6
197.11871	1.0
207.10278	58.4
208.10582	5.4
216.53368	0.6
225.11345	100.0
226.11667	11.3
240.98083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02852	4.5
59.01256	3.4
65.00249	1.7
65.99742	42.9
67.01770	3.7
68.01315	2.5
68.99722	2.0
69.03350	4.4
69.43553	13.5
78.03382	1.9
81.03345	8.8
83.04887	1.5
92.04940	3.1
93.03369	3.5
94.02890	2.4
95.01277	7.3
97.02860	5.8
98.02360	4.4
101.02353	1.8
105.02123	2.9
107.01301	15.8
109.02863	4.7
110.02414	11.7
111.00777	2.9
120.04464	2.0
121.02861	5.3
122.02399	14.8
123.00797	12.4
123.03218	2.2
123.04426	4.6
124.01613	14.3
125.02379	18.8
127.03903	2.2
133.01553	2.9
136.01607	1.8
137.02405	8.4
138.03168	2.0
139.03946	65.8
139.11119	2.1
140.00966	1.5
140.04311	2.9
147.03194	2.5
148.03978	13.9
149.04370	1.9
149.99525	6.7
150.01915	32.3
151.00327	34.9
151.03978	2.8
152.00999	3.2
153.01920	3.5
153.12781	7.8
155.03525	4.7
156.82344	1.9
163.99809	1.9
164.03465	3.3
165.01880	6.3
166.02675	100.0
167.03441	22.4
169.05179	2.3
171.13921	2.4
174.01903	5.4
179.03461	23.6
180.02863	1.6
181.05045	24.8
182.04549	50.0
183.02972	16.1
183.04634	2.8
191.99394	3.0
192.03008	59.4
193.00200	2.4
193.03360	4.0
194.00865	1.9
196.07721	1.9
197.04660	2.1
197.11775	5.1
206.04572	53.7
207.04848	3.6
210.05403	2.4
224.02171	2.7
224.05646	60.0
225.04012	5.4
225.05940	4.9
225.11308	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	225.1135
Annotation	Chloriolide
Peak:m/z	Relative Intensity
50.16570	0.4
55.48480	0.3
59.01270	2.4
60.12247	0.4
61.98715	0.6
67.34336	0.3
69.03353	0.7
71.01142	0.6
83.04911	0.6
97.02859	10.1
99.00789	3.7
109.06497	2.6
110.03651	3.5
123.04434	0.6
123.08083	0.4
125.09626	1.3
135.08104	1.3
136.05249	1.7
137.02356	0.5
142.02682	4.7
149.00838	0.5
151.11143	0.4
153.12756	2.6
161.09663	1.2
163.11255	9.0
164.11566	0.7
179.10725	0.9
181.12320	28.6
182.12656	3.0
189.09177	0.4
193.12340	2.7
195.03024	0.6
197.11824	2.4
207.10274	62.8
208.10594	6.5
210.05376	0.6
225.02603	4.8
225.11349	100.0
225.14984	5.7
226.02742	0.6
226.11674	10.9
226.15219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1135
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03349	0.4
59.01275	2.9
60.99200	0.4
61.98714	1.7
64.89904	0.4
66.12787	0.4
69.03356	0.6
71.52765	0.7
73.78618	0.4
81.03364	0.9
83.04948	0.5
87.34160	0.3
93.03374	1.0
95.04959	0.6
97.02854	8.8
97.06509	0.4
98.03210	0.5
99.00778	3.8
109.06507	3.3
110.03648	3.4
111.04475	0.5
121.21886	0.4
123.04478	0.7
125.05953	0.5
125.09666	1.3
135.08112	1.5
136.05249	1.9
137.02371	0.4
142.02670	5.5
151.03926	0.5
151.11218	0.9
153.12778	4.2
163.11250	9.6
164.11559	1.0
167.03481	0.4
171.13869	0.5
179.10680	0.4
181.12318	27.5
182.12625	2.3
193.12361	0.5
195.02936	0.6
197.11829	3.7
207.10269	62.7
208.10571	6.5
210.05325	0.8
225.11343	100.0
225.14993	3.1
226.11693	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	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
55.01742	0.1
59.01266	3.3
59.96600	0.7
61.01691	0.2
61.98720	0.2
68.99711	0.2
71.01263	0.6
73.01006	0.1
73.02827	0.4
74.98966	11.9
75.96109	0.9
75.98911	0.4
82.04009	0.2
85.02839	0.4
93.00038	9.6
93.99979	0.3
95.01244	0.2
96.95930	0.3
97.02869	0.3
98.19778	0.3
101.02341	1.0
107.04973	0.2
109.02889	0.2
113.02370	0.4
119.44650	0.1
121.02884	0.2
123.04459	0.2
126.86063	0.1
134.12344	0.1
138.03140	0.2
141.01578	0.2
149.00902	11.6
150.00861	0.7
150.02737	0.2
150.98834	0.7
151.00284	0.1
151.03951	0.2
153.05539	0.2
161.04512	0.3
163.06107	0.2
165.01828	0.2
166.06346	0.1
179.10739	0.5
179.14377	0.3
193.01353	0.8
195.13879	0.6
205.12303	0.4
206.99707	4.4
207.99806	0.6
208.03778	1.0
208.97667	0.2
223.02846	100.0
223.13390	3.2
224.02879	14.7
224.13689	0.4
225.00749	0.4
225.03287	0.2
241.03896	3.1
242.04066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1341
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.01481	0.5
57.03342	1.6
59.01265	4.0
62.46498	0.5
64.11248	0.7
68.46291	0.5
69.03354	4.9
70.84813	1.1
71.04910	2.0
83.04903	1.4
85.06493	1.4
89.32146	0.6
95.04935	1.0
109.06532	1.3
125.09676	1.5
141.09183	0.6
149.09671	1.0
151.11220	0.8
161.13290	0.6
167.10719	7.1
177.12814	1.2
179.10773	3.1
179.14397	9.2
180.14771	1.2
190.89531	0.7
195.13887	24.0
196.14240	2.5
205.12338	19.3
205.14304	0.8
206.12665	2.9
223.13408	100.0
224.13744	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	217.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72541	1.1
59.01267	23.8
61.98723	1.5
65.01329	1.6
65.60593	0.9
65.99712	1.8
68.01305	1.4
72.99197	1.1
82.04035	0.8
88.02383	0.8
88.03903	1.2
94.60775	1.0
98.02368	1.0
98.20544	2.5
98.43700	0.9
103.29559	1.0
109.02879	1.0
121.04010	1.8
127.07546	1.0
130.04033	1.1
132.18988	0.9
133.04041	1.1
134.03491	1.6
135.04457	1.4
145.02892	1.3
145.06593	0.9
146.08162	1.0
147.04456	1.3
147.37665	0.9
148.05103	2.2
159.04469	24.7
160.05042	3.2
163.03998	1.8
171.04449	1.2
173.06049	7.4
174.03200	2.0
174.06732	2.3
174.99220	5.1
175.06226	1.1
187.04021	10.6
187.07629	5.3
188.04768	100.0
189.05132	9.4
189.09215	4.3
190.06192	1.4
197.06053	1.8
199.07707	10.8
200.08083	1.3
202.06255	1.4
217.00203	6.5
217.05220	2.8
217.08731	68.0
217.10577	2.5
218.04347	1.0
218.09016	8.2
224.63898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0875
Annotation	Isoharringtonic acid
Peak:m/z	Relative Intensity
58.00462	0.6
59.01269	0.9
64.54104	0.5
68.00748	0.5
69.09811	0.6
70.85378	1.1
71.01276	0.6
72.99200	21.7
73.99551	0.9
75.00796	1.0
76.31098	0.5
95.08590	2.0
99.08065	1.5
111.08110	0.6
113.09631	13.2
114.10012	0.7
115.07566	1.9
127.07580	7.2
129.09138	100.0
130.09477	5.7
139.07596	2.1
142.08252	0.5
143.07077	44.1
144.07469	3.2
157.08653	32.1
158.09009	1.8
173.08156	5.6
175.09753	1.6
196.61568	0.7
219.08742	78.7
220.09062	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	221.0304
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
55.01788	1.2
57.03337	5.8
59.01265	100.0
60.01574	1.7
63.68536	1.0
69.03340	4.3
69.48973	9.7
69.49305	2.0
71.01275	18.3
72.99184	7.1
73.02842	7.7
75.00743	2.0
80.96409	1.3
83.01291	1.3
85.02830	13.3
87.00776	11.0
89.02336	4.0
92.64144	1.3
95.01278	2.4
97.02861	7.1
99.00773	5.2
99.04391	1.6
101.02339	6.8
103.00281	2.1
109.02856	2.5
111.00714	1.6
113.02347	5.1
115.00302	2.4
115.97479	1.1
123.00821	3.8
123.04380	1.5
125.02371	4.3
127.03958	1.2
129.01878	23.0
131.03459	2.2
133.01340	1.4
141.01860	12.4
145.11975	1.3
150.09799	1.2
159.02893	2.1
161.04518	5.6
178.08775	1.5
203.01872	3.3
221.03003	4.1
221.06624	22.1
221.11794	2.1
221.15231	1.9
222.06911	1.7
242.85207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22199	1.9
55.01774	2.6
56.05384	2.1
57.01351	2.4
57.03345	12.8
57.35442	1.9
59.01265	100.0
68.99700	4.9
69.03342	14.9
71.01268	43.7
71.60829	2.8
72.99194	16.5
73.02839	20.1
75.00752	5.5
79.01765	1.8
80.96404	9.1
81.03343	3.4
83.01283	4.1
83.64933	2.1
85.02842	31.0
87.00767	39.0
89.02341	8.2
91.39347	2.1
93.03357	2.4
95.01289	16.2
97.02842	27.0
99.00799	14.4
101.02346	8.7
103.00272	9.2
109.02870	6.8
111.00793	7.0
111.04421	3.7
113.02362	20.2
115.00290	16.0
115.03941	3.7
123.00806	18.4
123.04419	5.5
124.04854	2.4
125.02381	16.7
127.03925	4.7
129.01872	47.0
131.03409	6.0
133.01390	2.4
137.94812	2.3
139.00316	4.5
141.01877	67.1
143.03429	2.5
155.03473	2.3
157.01398	3.3
159.02916	7.1
161.04541	8.1
162.04799	2.2
166.99828	4.0
171.02963	2.8
185.00890	7.7
203.02002	18.2
203.05531	3.0
221.03113	21.5
221.06657	48.7
223.34477	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	221.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62102	0.4
55.01766	0.6
56.99675	0.4
57.01421	0.5
57.03340	5.0
59.01267	100.0
60.01609	1.6
60.84810	0.5
67.73447	0.5
69.03341	1.4
70.73204	1.3
71.01273	14.7
72.99205	5.3
73.02821	2.8
75.00776	1.9
81.03367	1.7
83.01286	1.5
85.02844	8.5
87.00794	3.9
87.04438	2.0
89.02350	3.9
91.02123	2.4
96.95925	1.0
97.02885	2.0
99.00816	0.6
99.04422	1.4
101.02348	5.2
113.02370	2.8
125.02331	0.5
129.01865	52.5
130.02226	2.4
131.03464	2.1
131.07126	0.5
133.01341	4.6
133.05014	0.5
141.01877	4.4
143.03484	1.7
159.02982	3.8
161.04509	6.7
163.91235	0.5
179.03831	0.9
179.05916	0.5
190.99838	1.2
203.01924	2.5
203.05627	0.6
221.03069	1.2
221.04784	0.8
221.06610	7.9
221.12097	0.7
221.15350	1.3
222.07500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
56.92992	0.2
57.03337	0.3
65.85954	0.1
68.80276	0.2
69.03347	0.2
70.86490	0.4
70.96912	0.2
89.17840	0.2
90.25166	0.2
93.30808	0.2
97.06493	0.6
124.68468	0.2
151.11235	13.0
152.11615	1.2
165.53857	0.2
169.12305	100.0
170.12645	8.4
177.49449	0.2
190.66202	0.2
190.91187	0.2
195.10173	1.0
213.11331	23.6
214.11700	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	215.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.5
61.98722	5.5
64.61234	0.5
65.01323	1.1
65.99717	1.6
66.00856	0.6
69.17886	0.5
71.01225	0.6
71.52254	0.6
71.52676	0.9
73.58499	0.5
82.03976	0.7
89.02327	0.6
93.03352	1.4
97.22404	0.5
104.95663	0.6
106.04021	1.0
109.03990	0.7
110.04517	0.5
110.96746	0.5
111.04404	0.6
116.04985	1.4
118.03998	0.8
118.06558	3.5
120.05605	0.7
130.04120	1.0
130.06529	2.1
131.03557	0.8
131.05016	0.6
132.04445	1.8
132.05496	0.7
132.08098	1.1
133.04050	0.7
134.02390	0.8
134.03561	1.3
135.04465	6.0
137.02415	0.6
144.00867	9.3
145.01091	0.6
145.05057	0.8
146.02452	0.9
146.03551	0.8
147.03145	0.9
147.06674	0.9
153.12802	0.8
157.05139	0.7
158.06015	2.1
159.03108	0.5
159.04420	0.9
160.03992	18.4
160.07620	10.6
161.04382	1.6
161.05960	1.2
161.07973	0.7
162.05496	0.8
171.01991	1.2
172.00392	1.6
172.05153	1.2
173.04671	2.1
186.03192	1.5
186.05690	0.8
187.05045	4.9
187.07664	1.5
188.07146	100.0
189.07530	10.7
197.11844	1.2
200.04776	1.5
215.00996	67.7
215.06853	4.2
215.12874	4.6
216.01320	8.1
216.03288	1.0
216.06886	0.7
216.13554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
59.01257	2.6
61.98723	9.9
65.01333	2.4
65.99728	1.9
68.99709	1.4
71.01293	1.0
71.52426	1.4
72.99229	1.2
75.00763	0.9
79.85205	0.7
80.74455	0.7
81.04492	0.7
83.02415	1.0
89.02329	0.9
91.02927	0.7
93.03360	0.9
93.85400	0.7
106.04037	2.7
116.04962	1.6
118.04047	0.9
118.06533	4.7
120.05611	0.9
130.06584	2.5
132.04504	2.5
133.03992	1.3
134.03584	1.2
134.06090	1.1
135.04440	6.9
144.00861	10.9
145.05077	0.9
146.02388	1.1
146.03569	1.3
147.03090	1.0
147.04279	0.9
147.05589	0.8
147.06699	1.2
153.12778	0.9
158.06055	2.4
159.03232	1.3
160.03998	17.6
160.05296	1.5
160.07628	10.6
161.04491	1.1
161.05978	1.0
162.05522	1.2
162.06685	1.0
171.01918	1.9
171.09155	1.1
172.00375	0.9
173.04739	2.9
187.05055	4.9
188.07144	100.0
189.07532	10.4
197.11880	1.0
215.01001	77.2
215.07147	3.2
215.12776	3.6
215.16344	1.6
215.99387	1.7
216.01318	8.1
216.06802	1.2
216.08832	1.6
227.26897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1288
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
57.03331	1.6
58.17726	0.6
59.01258	2.2
60.91154	0.6
61.98702	2.6
65.01344	1.0
71.01279	0.7
71.04891	0.6
71.59616	0.8
72.99180	0.6
81.04499	0.6
89.02362	0.5
93.03359	1.1
95.04877	0.6
96.17891	0.5
101.02338	0.7
106.04023	0.9
113.02399	0.6
125.09647	0.8
144.00858	10.5
144.04601	0.7
145.01204	1.0
151.11182	0.7
153.12796	34.8
154.13190	3.0
158.03683	1.6
159.04483	1.0
161.02345	1.9
171.01962	2.1
171.04411	0.9
171.08015	0.7
171.13829	1.1
172.00424	0.9
172.05223	2.7
173.06021	0.7
185.06020	1.0
186.03143	3.6
187.03860	0.8
187.07576	2.9
188.08060	0.8
189.07684	0.9
191.28740	0.7
197.11830	21.2
198.12151	2.3
200.04796	5.6
215.00993	83.3
215.07166	41.4
215.12886	100.0
215.99409	1.0
216.01317	7.5
216.03259	1.0
216.07451	3.5
216.13203	9.4
232.03848	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.09776	0.1
57.03335	0.2
59.01249	0.2
67.01778	2.2
69.03341	0.4
69.23172	0.1
69.93060	0.2
69.93473	0.5
83.04919	0.8
85.02805	0.1
85.06474	0.5
90.39159	0.1
95.01263	0.2
97.06489	0.4
123.08080	0.4
125.02374	0.2
125.09654	4.5
126.10004	0.2
139.11208	0.2
151.11235	0.4
155.51500	0.1
167.14372	3.6
168.14661	0.3
172.53125	0.1
175.11261	0.4
183.13870	0.4
184.16441	0.1
193.12344	0.3
196.03827	0.2
211.13393	100.0
212.03679	0.2
212.13734	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
64.47807	0.3
69.03349	0.4
69.21985	3.1
74.09602	0.3
76.00327	0.3
80.31541	0.3
83.04952	0.3
102.63556	0.3
144.54523	0.3
167.10730	0.7
167.14378	1.2
183.13885	11.7
184.14221	1.2
192.76636	0.3
193.12340	3.1
194.12849	0.4
211.13399	100.0
212.13745	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24850	0.5
65.94272	0.4
69.03341	0.6
70.96160	0.9
71.57041	0.4
83.04924	0.5
89.07008	0.4
89.42236	0.3
95.23843	0.5
99.21019	0.4
104.85186	0.4
111.08169	0.5
111.26923	0.4
155.10727	0.5
165.12756	0.5
167.10699	1.0
167.14383	1.3
183.13884	14.2
184.14206	1.8
193.12358	3.3
211.13403	100.0
212.13741	11.0
218.10370	0.4
226.37469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.1
57.03328	3.7
58.00481	10.1
59.01268	27.4
60.19193	0.9
60.29117	0.8
65.01340	1.3
69.03343	2.5
69.49913	0.9
70.94035	2.6
71.01268	4.1
71.04903	0.9
72.99193	3.1
73.02834	3.3
83.04922	1.2
84.02068	1.5
85.02841	1.4
97.06491	2.6
98.84567	0.8
102.72470	1.0
106.04024	1.2
109.06520	1.0
111.08083	1.9
125.09656	7.1
127.11214	18.6
137.09651	3.9
139.11243	7.2
145.05125	0.9
147.06691	1.0
149.09724	5.2
151.11212	3.9
153.09178	6.8
155.10738	41.4
155.12012	2.1
156.11049	3.4
157.12283	8.6
165.09160	3.5
167.10738	35.8
168.11069	2.2
169.12300	3.0
171.06741	1.3
171.10268	3.6
183.10210	3.9
183.13922	1.8
185.11813	100.0
186.12181	8.4
187.06195	1.6
195.10266	7.2
195.13911	2.0
213.05380	1.3
213.08066	1.0
213.11333	25.2
213.14926	12.1
213.18539	1.4
214.11761	2.0
214.15244	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	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17018	0.1
57.03322	0.4
58.01136	0.2
59.01273	0.4
61.69764	0.2
61.98736	0.2
65.01337	0.3
69.03327	0.4
71.08194	0.4
87.00736	0.2
90.10904	0.2
97.06498	0.7
106.04063	0.2
109.06560	0.2
125.09621	0.3
141.31013	0.2
144.05594	0.3
151.11232	13.3
152.11617	1.2
169.12302	100.0
170.12645	7.6
183.13849	0.8
185.11877	0.5
186.06750	0.2
187.06192	0.2
195.10204	0.8
195.13904	0.6
213.07942	0.5
213.11330	16.4
213.14787	3.4
213.18622	0.5
214.11674	1.6
214.15079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Pulchellon
Peak:m/z	Relative Intensity
51.13836	0.5
57.03342	5.8
58.00481	0.9
59.01269	4.0
61.98715	2.3
67.01768	0.5
69.03340	2.2
71.01272	21.3
71.04910	1.7
71.26830	0.9
71.27157	0.9
73.02827	1.0
80.02566	2.0
81.03358	2.0
82.60477	0.5
83.04926	3.5
84.02064	1.9
85.02824	1.0
93.03374	2.9
95.04922	3.9
97.02879	0.8
97.06510	3.5
107.04971	0.7
109.06522	0.7
111.08065	3.7
118.94115	1.0
121.02879	32.9
122.03187	1.3
123.08084	1.2
125.02400	1.0
125.09645	6.8
126.09979	1.0
134.03702	0.8
135.08069	1.6
136.01628	1.1
137.06035	0.7
137.09634	1.4
144.00615	0.6
145.10165	2.5
147.11743	2.7
149.09676	0.6
151.11232	25.1
152.11539	1.7
153.12819	3.8
161.09662	1.2
163.11244	7.7
165.09125	1.2
165.12825	22.3
166.13164	1.2
167.07127	0.6
167.10733	1.9
173.09660	2.3
179.03638	0.8
179.10741	6.1
181.12311	44.5
182.12646	4.0
191.10754	16.8
192.11096	2.1
194.02243	0.8
209.04550	5.9
209.11830	100.0
209.94926	0.5
210.05031	0.6
210.12167	11.1
221.00380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.6
65.63910	0.2
71.13335	0.6
77.80478	0.3
80.02574	2.3
81.02930	0.3
81.03363	1.8
83.04920	8.5
84.05248	0.3
93.03330	0.3
95.04939	1.3
106.60935	0.2
109.06480	0.4
113.00394	0.3
121.02879	5.1
121.54651	0.3
122.03206	0.3
125.05986	0.9
135.08070	1.1
151.35435	0.2
163.11240	7.6
164.11606	0.5
165.12816	4.1
166.13152	0.3
181.12323	1.3
183.06786	0.3
184.02525	0.3
191.10747	1.4
209.04582	1.0
209.11826	100.0
210.12170	10.5
224.46408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03341	2.9
57.54351	0.6
59.01268	100.0
60.01609	1.8
71.35552	0.9
73.01076	0.6
81.03352	1.4
84.04422	0.6
91.30805	0.6
97.06512	1.9
109.06503	3.3
118.09303	0.6
120.02101	0.7
121.02884	16.3
122.03220	0.8
124.04000	1.0
165.12819	4.3
166.13138	0.8
183.06709	1.2
184.02278	0.7
200.33687	0.6
209.04591	3.6
209.08641	0.8
209.11829	22.1
210.12169	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98708	0.4
69.03329	0.8
69.66838	2.7
82.41154	0.3
83.04917	0.9
103.60843	0.3
109.85866	0.4
167.10696	0.7
167.14371	1.3
183.13863	12.6
184.14226	1.1
193.12366	2.9
194.12758	0.4
211.13390	100.0
212.13733	11.6
214.65771	0.3
215.45039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	3.1
57.03349	1.7
59.01258	0.3
64.34038	0.2
69.03343	1.0
70.86704	0.5
71.01294	0.5
71.04914	0.6
71.62687	0.2
74.40457	0.2
75.50867	0.2
75.96786	0.2
80.02571	0.8
81.03355	4.3
83.01283	27.5
83.04914	3.6
84.01614	0.8
84.02065	1.3
91.44393	0.2
93.03365	0.4
94.84309	0.2
95.04947	1.7
97.02897	0.3
97.06499	4.4
99.04401	0.3
106.04147	0.4
108.02071	0.3
109.06503	0.5
110.03653	0.3
111.08076	0.6
113.72881	0.2
121.02884	3.5
123.08089	2.3
124.08393	0.2
125.06038	0.3
125.09652	24.7
126.09972	1.7
135.08098	2.1
136.08458	0.2
137.06096	0.2
142.02673	0.3
145.10197	0.4
147.11700	1.0
149.09668	0.5
151.11252	0.3
161.09721	0.3
163.11253	10.3
164.11591	0.9
165.12825	3.7
166.13132	0.4
167.10747	0.7
173.09688	0.7
181.12369	1.8
191.10771	8.5
192.11076	0.9
209.11833	100.0
210.12178	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	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	7.6
58.00468	0.9
59.01265	2.1
59.89262	0.5
61.98708	1.2
68.23447	0.5
69.03339	2.3
71.01264	15.7
71.04927	0.8
73.02839	2.4
80.02568	2.0
81.03352	2.2
83.01271	1.3
83.04915	5.6
84.02070	1.5
85.02866	0.6
93.03364	1.9
95.04945	3.0
97.02884	0.8
97.06494	4.4
106.04115	0.5
107.04937	1.2
108.02167	0.5
109.06510	1.5
111.08074	3.6
112.01556	0.9
118.94147	0.9
121.02879	14.5
122.03159	0.6
123.08088	2.1
125.02388	1.3
125.09666	6.0
129.70296	0.5
134.03659	0.9
135.08078	1.8
137.05937	0.5
137.09656	1.4
144.00571	0.9
145.10141	2.5
147.08115	0.7
147.11710	2.4
149.09648	1.3
151.11234	25.9
152.10394	0.5
152.11560	2.1
153.12805	3.5
163.11259	7.7
165.12811	24.4
166.13127	2.6
167.10765	2.7
173.09679	2.3
179.10757	7.6
180.60492	0.5
181.12314	39.5
182.12665	3.4
191.10760	15.9
192.11086	1.6
209.04529	2.0
209.11829	100.0
210.12167	9.9
225.11578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
54.78829	0.4
55.01773	1.3
55.34378	0.4
57.03339	5.4
58.00481	1.2
59.01268	1.2
59.61151	0.4
69.03339	1.8
70.35722	2.0
71.01276	16.3
71.04903	1.3
72.01608	0.6
73.02824	1.1
75.29987	0.4
79.09731	0.5
80.02564	1.9
80.15057	0.5
81.03346	2.5
83.01276	9.9
83.04919	4.7
83.73621	0.4
84.01673	0.4
84.02061	2.2
84.05246	0.4
84.63431	0.4
85.02865	0.4
93.03358	1.2
95.04932	2.3
97.02858	1.0
97.06488	3.4
106.04132	0.6
108.02067	0.8
111.08072	1.8
112.01597	0.8
121.02876	6.7
123.08082	1.9
125.02370	0.8
125.09645	14.5
126.09956	0.9
134.03662	1.1
135.08089	2.0
137.09624	1.2
139.56601	0.4
140.61430	0.4
144.00522	0.5
145.10161	1.3
147.11754	2.4
149.09654	1.0
151.11237	21.1
152.11571	1.8
153.09187	0.7
153.12810	2.9
163.11244	8.9
165.09216	0.7
165.12808	16.5
166.13113	1.3
167.10715	0.8
173.09679	2.1
179.10727	4.7
181.12311	39.4
182.12697	3.3
191.10754	18.4
192.11067	1.8
209.11829	100.0
210.12177	10.4
226.38525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76731	1.5
55.01801	1.8
57.03331	13.8
58.99499	1.8
59.01008	1.9
59.01271	26.3
68.22597	2.0
68.99673	1.5
71.01266	20.6
71.51544	2.3
72.99201	21.2
74.98986	11.9
75.00756	4.1
83.01294	2.8
84.02077	3.9
85.02843	100.0
87.00784	8.6
89.02329	9.2
91.00261	2.7
96.96836	2.0
103.00281	3.0
104.23610	1.7
111.00789	8.6
121.02850	10.6
124.03954	1.9
129.01866	14.0
133.01399	10.6
136.99080	8.3
147.02953	4.3
148.04083	1.9
166.05032	3.9
173.00874	2.4
191.01935	25.7
191.05579	3.9
194.02138	4.4
194.05733	2.1
209.02991	25.6
209.04622	2.9
209.06543	12.1
209.08434	2.4
209.11826	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
59.01255	0.8
61.98708	1.5
65.52840	0.4
69.25403	0.8
69.25800	3.4
74.32614	0.3
80.48229	0.3
83.01279	0.4
91.01753	0.4
96.95907	0.4
119.30185	0.3
121.02879	12.7
121.15971	0.4
122.03223	0.9
124.03976	0.5
165.12772	0.6
194.05780	0.5
209.04713	1.9
209.11827	100.0
209.94839	0.6
210.12172	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
52.17916	0.5
53.54263	0.6
55.01760	1.0
57.03334	2.7
59.01266	3.1
61.98707	1.9
69.03342	1.7
70.01799	1.3
70.02197	0.9
80.02582	0.7
81.03354	2.6
83.01276	13.5
83.04916	7.8
93.03367	1.0
94.02863	0.6
95.04919	1.9
96.95825	0.7
97.02861	0.6
97.06506	3.5
98.19843	0.9
107.04919	0.7
109.06510	0.7
111.04457	0.8
111.05161	0.6
111.08057	0.7
120.02078	0.5
121.02879	29.9
122.03213	2.3
123.08073	1.7
124.03970	0.7
125.06052	0.5
125.09652	22.2
126.09941	1.5
135.08112	1.1
137.06001	0.6
137.09622	0.6
147.11760	1.5
148.97972	0.5
149.09637	0.8
163.11246	5.3
165.05519	0.6
165.09134	0.6
165.12796	6.5
166.13210	0.7
167.10732	26.9
168.11053	1.9
168.41106	0.5
181.12256	2.0
189.79153	0.5
191.10753	5.6
192.11157	0.7
194.02234	0.7
194.05824	0.8
209.04597	5.1
209.11821	100.0
210.12170	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	207.0663
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
57.03357	0.2
59.01269	5.4
61.30130	0.2
61.98716	0.5
62.20908	0.2
63.75628	0.2
63.97694	0.2
69.56348	1.3
69.56765	0.6
71.01285	0.4
72.79472	0.2
75.00764	0.7
81.66473	0.2
91.01789	0.3
91.02904	0.2
95.04948	0.6
105.03364	4.2
106.55067	0.2
109.06519	0.8
110.75788	0.2
117.01845	0.2
121.06512	0.2
123.04485	0.5
129.01871	0.8
133.02884	34.9
134.03209	2.3
135.04424	0.2
137.09680	0.2
147.02943	0.9
149.02400	2.6
151.03961	0.4
163.03949	0.4
163.11218	0.6
164.04738	2.5
165.05292	0.2
177.01898	14.3
178.02249	0.9
181.05058	0.2
192.04262	100.0
193.04591	8.5
207.03111	0.8
207.06630	23.4
207.10255	1.0
207.13950	1.0
208.07024	1.8
218.26045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.9
57.03339	13.5
58.99489	3.2
59.00990	1.3
59.01268	20.3
60.97408	1.2
61.96508	0.8
68.99718	2.6
69.49673	1.0
70.61923	2.5
71.01272	29.5
72.99202	20.9
73.01060	2.3
73.02857	1.5
74.98998	14.1
75.00777	6.7
78.95804	2.0
80.04971	1.2
83.01299	2.3
83.26679	0.8
84.02067	3.4
85.02846	100.0
86.03187	3.5
87.00764	9.8
89.02338	8.8
91.00265	2.3
91.56687	0.8
94.90817	0.8
96.95918	2.1
96.96887	1.7
99.00777	1.7
101.02393	1.6
102.49073	0.9
103.00293	2.1
104.04970	2.0
108.02068	0.8
111.00808	5.8
115.00288	2.9
120.08339	1.1
120.99559	2.3
121.02853	5.0
121.06576	0.9
122.06046	1.3
124.04011	1.1
129.01871	10.7
131.03456	2.0
133.01370	10.0
133.35173	0.9
136.99077	6.8
142.99762	1.1
147.02937	3.8
148.03946	2.3
159.58240	0.8
166.05077	7.3
173.00888	2.7
179.03427	1.0
191.01962	24.7
191.05588	3.7
192.02286	1.1
209.01048	1.5
209.03029	26.3
209.06596	14.6
209.08464	0.5
209.11884	0.9
210.03537	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02865	40.5
59.01274	9.4
69.41163	8.1
70.02873	12.9
71.01258	1.0
72.00793	6.2
75.59820	1.0
77.07008	1.1
85.02804	1.1
91.05421	6.8
108.87759	0.9
116.07914	1.4
117.28389	0.9
129.01881	1.8
135.04449	1.5
147.04462	34.6
148.04820	2.9
149.02351	1.2
162.09204	1.6
163.03975	1.4
164.07126	100.0
165.07475	8.4
177.01901	2.4
192.04311	3.3
206.08231	52.6
207.06754	1.7
207.08469	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	206.0822
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02863	35.5
59.01266	2.2
59.03195	0.9
60.32576	0.5
67.70536	0.6
70.02869	12.3
70.54024	2.3
71.10111	0.6
72.00794	5.2
78.95247	0.5
89.18644	0.5
91.05433	11.0
119.05000	0.6
135.04483	1.1
147.04459	36.6
148.04785	1.6
162.09190	1.3
164.07123	100.0
165.07465	7.4
182.46100	0.6
186.44821	0.6
192.04312	0.6
206.08218	48.1
207.08537	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	207.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98048	5.3
57.19004	6.0
59.01268	100.0
70.20570	25.5
71.01277	10.2
72.99194	6.0
74.74300	5.8
75.00765	48.5
96.88299	6.0
96.95921	34.4
99.00766	8.2
101.02375	7.2
109.00306	6.5
119.04982	6.2
120.56245	6.0
129.01872	25.7
135.02931	89.0
135.04413	6.0
147.02902	17.8
149.02370	10.4
177.01935	51.5
178.21915	5.9
192.04207	65.2
207.02943	16.5
207.04861	7.2
207.06581	33.1
207.10287	16.3
207.13875	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.00992	0.1
59.01268	1.7
61.98724	0.1
71.01282	0.2
71.62655	0.2
71.63013	0.1
72.99191	0.7
75.00771	0.1
80.31944	0.1
85.02848	0.3
87.00753	0.2
90.00604	0.1
93.03378	0.1
99.08074	0.1
101.02341	0.1
115.00322	0.2
115.07565	0.9
129.05493	0.5
133.06548	0.1
143.07115	0.3
161.02409	0.2
161.06047	0.3
162.89227	0.3
164.07166	0.1
177.01917	0.1
189.12860	1.5
190.02776	0.1
190.13156	0.3
205.07195	0.8
205.15970	100.0
206.16310	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	203.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	21.5
64.01801	5.9
65.99731	5.5
67.01804	3.4
69.52787	20.2
72.99181	4.1
91.66577	2.3
96.76717	2.3
98.20519	4.9
106.02861	7.4
120.04472	3.1
121.02854	10.1
123.00769	2.1
127.10363	2.5
129.11539	2.7
132.04462	8.3
134.02409	100.0
135.02751	4.1
148.03976	24.2
149.02405	12.9
149.04350	3.0
157.04016	10.7
159.04425	3.7
162.01901	8.6
163.02687	8.8
170.30473	2.2
176.03487	40.7
177.03856	5.1
185.03526	5.2
203.04674	24.7
203.07224	2.7
203.12852	3.8
204.02975	5.1
204.04813	3.0
215.41660	2.3
218.15587	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	6.2
56.45436	1.6
57.03327	1.6
57.40798	1.5
58.00484	4.5
59.01268	88.5
67.01775	2.8
68.99708	11.8
71.01273	84.9
71.16942	3.6
71.17277	2.2
72.01589	2.4
72.99198	49.7
73.02840	12.2
75.00767	35.0
81.65903	1.4
82.09421	1.7
83.01288	12.9
83.90007	1.4
85.02861	7.6
87.00777	50.9
88.01169	1.7
89.02341	5.4
93.03349	2.2
96.99215	11.5
97.80911	1.5
99.00780	35.6
99.04430	3.0
99.08042	2.0
100.98694	4.0
101.02370	9.0
103.00261	7.0
111.00793	17.3
112.98736	7.2
113.05970	2.0
115.00291	100.0
115.07581	13.5
116.00606	3.5
117.01859	15.4
124.98753	15.0
125.02362	18.5
125.78934	1.5
127.00310	12.0
129.01869	15.4
129.05515	8.8
130.99780	11.2
135.91695	1.8
142.99803	26.1
143.07072	6.7
144.00516	2.7
145.01370	29.5
154.99821	15.1
157.01343	5.3
159.02893	2.0
159.08650	1.7
161.02382	1.7
161.05992	2.7
173.00874	5.0
175.02357	8.9
187.02414	1.7
205.01613	2.4
205.03427	8.6
205.05237	3.1
205.07112	7.2
205.12379	2.7
205.15981	10.3
206.02370	1.7
206.04359	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88746	2.1
55.01770	8.5
57.03334	3.1
58.00481	2.8
59.01269	78.8
67.01772	3.8
68.99696	9.3
69.73169	8.0
69.73582	5.8
71.01273	100.0
71.04922	3.6
71.62180	2.1
72.99203	48.9
73.02831	14.3
73.35317	2.2
75.00763	40.5
83.01287	10.5
85.02847	6.9
87.00778	64.4
88.01098	2.6
88.98684	3.5
89.02349	5.6
96.99205	7.2
98.19888	4.4
99.00786	36.7
99.04489	2.5
101.02354	13.6
103.00261	6.4
111.00797	54.8
112.98703	5.9
115.00291	91.9
115.07599	3.1
116.00600	4.5
117.01846	15.6
124.97900	2.6
124.98703	17.3
125.02375	38.9
127.00304	13.5
129.01857	10.9
130.99806	10.2
142.99800	30.0
143.03418	5.3
145.01387	24.8
154.99750	19.3
157.01376	4.1
161.04301	5.2
173.00858	9.1
175.02437	9.5
187.02472	4.6
205.03670	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	205.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.5
58.00479	1.0
59.01256	2.6
66.18398	0.6
70.76215	1.8
72.52896	0.7
72.99199	44.1
73.02839	3.0
73.99522	0.9
75.00756	1.7
81.06999	3.9
83.04953	0.7
85.06490	2.8
86.81533	0.6
97.06514	1.9
99.08057	12.7
100.08419	0.8
101.05987	2.3
113.05994	6.1
115.07564	100.0
116.07885	4.8
123.53518	0.7
125.05998	1.7
129.05502	53.3
130.05827	3.1
142.21892	0.7
143.07083	33.3
144.07396	1.6
159.06566	5.9
205.07166	67.9
206.07516	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03332	1.1
58.00485	1.9
58.02859	0.6
59.01266	5.9
61.98713	1.1
65.01322	2.4
65.99732	1.6
66.00864	0.5
67.02909	0.5
68.01302	0.5
69.03320	0.4
69.23132	1.0
69.23549	3.5
71.01263	0.8
72.99196	0.9
73.02843	0.9
77.01318	0.4
82.04005	1.1
83.04916	0.4
87.04422	0.4
89.01336	0.6
91.02930	1.3
92.02456	0.5
93.04475	0.5
97.06544	0.5
99.92508	0.6
102.11160	0.4
105.04463	0.6
106.04014	1.5
107.02432	0.6
107.06091	0.6
109.04005	0.7
111.00790	0.4
111.04457	0.5
116.02433	0.8
118.02911	0.4
118.03986	0.6
119.02455	0.8
121.04012	0.7
121.05148	0.6
123.08085	0.4
125.09660	6.3
127.11224	10.3
127.75147	0.4
131.03560	0.7
132.05585	2.1
133.04001	1.3
133.05067	0.8
134.03537	1.6
137.09663	1.7
139.11200	1.9
141.93546	0.7
142.04019	0.5
144.05608	0.6
145.02841	0.5
146.03531	0.8
147.01994	0.5
147.05545	0.7
148.05106	1.2
155.10732	3.5
156.11032	0.4
157.05153	0.5
157.12234	0.4
158.03615	1.7
159.06757	1.0
160.05113	1.4
162.05399	0.5
165.09184	3.7
171.10262	3.0
173.02420	0.6
173.04585	0.9
173.06041	13.4
174.03113	0.5
174.06583	3.8
175.06274	2.9
183.10263	3.2
190.02750	1.0
199.09760	3.1
201.04070	1.4
201.05629	14.2
201.07536	2.0
201.11317	100.0
202.05756	1.6
202.07413	1.6
202.11655	8.5
206.78090	0.4
209.60471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
55.11160	0.9
57.03338	5.0
59.01266	9.7
60.99191	1.5
67.01772	1.7
69.03344	75.9
69.82804	5.2
70.03676	2.0
70.63999	0.9
71.01273	52.2
72.01652	1.1
72.99207	9.7
73.02837	1.3
74.02332	0.9
75.00759	7.5
79.01777	8.0
80.02129	1.0
83.01285	2.0
85.02852	11.0
87.00764	13.9
87.04399	1.0
95.01294	11.2
97.02855	91.3
98.03217	3.0
99.00786	4.9
101.02349	1.2
103.91933	0.9
105.01843	2.2
111.00793	4.7
113.02363	3.1
115.00296	11.8
115.03954	1.1
115.07547	0.9
116.07104	1.0
117.01888	1.1
123.00793	4.1
129.01883	9.6
130.02167	1.3
131.03503	1.3
140.07069	1.1
141.01878	24.6
142.02190	1.4
143.07069	1.9
158.08154	1.5
159.02901	2.0
160.04016	1.9
186.07631	1.2
203.01961	100.0
204.02333	7.4
204.08778	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0197
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
55.01786	1.9
57.03329	6.7
57.10468	1.4
59.01255	4.9
60.15214	1.6
63.95165	1.3
64.87830	1.4
65.04511	1.5
67.01763	1.7
68.01294	1.8
69.03349	74.4
70.03665	1.4
71.01274	47.7
71.59142	3.0
72.63776	1.5
72.99216	11.0
73.02845	6.3
75.00768	6.8
79.01797	7.7
81.46845	1.4
83.01282	3.1
85.02859	14.9
86.73858	1.4
87.00774	21.4
88.78751	1.3
95.01288	15.8
97.02859	100.0
98.03200	1.9
99.00780	12.0
101.02325	2.0
105.01839	8.4
111.00817	4.3
113.02367	8.9
115.00294	13.3
115.03938	2.2
123.00812	13.2
126.01928	4.2
126.49732	1.4
129.01839	9.2
141.01880	50.9
142.02200	3.9
143.28282	1.6
159.03011	2.6
166.99860	1.5
184.60355	1.3
185.01003	1.7
186.04053	1.5
203.01968	61.0
204.02290	3.7
204.05093	5.0
216.60745	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03259	0.6
54.33281	0.7
55.01771	0.7
57.03331	1.9
58.00473	7.8
59.01269	4.5
61.98715	6.0
65.01341	4.4
65.99732	2.4
66.00856	0.8
67.01758	1.3
68.01317	0.8
68.69136	0.7
69.03331	3.2
69.27090	3.9
69.27525	4.1
71.01271	4.9
71.04897	1.8
72.99190	2.1
73.02836	23.8
83.01283	1.1
83.04919	3.4
84.02068	3.0
85.02831	2.2
87.00768	0.7
89.01327	1.9
91.02901	2.4
95.04911	1.8
97.06480	2.6
98.02389	1.0
98.20660	1.2
99.00802	1.1
99.04446	1.3
99.08018	1.0
101.06011	1.6
105.04501	0.9
106.04017	2.3
107.04937	0.9
109.06480	1.1
110.03533	0.8
111.00805	1.1
113.02349	1.6
116.02537	1.5
117.01878	0.9
119.02420	1.9
123.08064	3.1
125.06019	9.6
125.09648	13.3
126.09998	0.8
127.03967	1.2
127.11203	9.8
129.04543	1.3
130.04013	3.5
131.03490	1.7
132.05602	0.8
135.08066	2.0
137.06070	1.2
137.09636	14.6
138.10025	1.7
141.09113	3.6
143.03432	0.8
143.10739	4.1
144.04462	0.8
144.05603	0.8
145.02887	1.2
145.04010	1.9
146.03522	1.5
146.29485	0.7
151.07591	3.2
153.09163	5.3
154.09486	0.9
155.10707	12.6
155.11865	1.3
157.03961	0.8
157.05142	3.0
157.10555	2.2
158.03508	1.4
163.07635	1.5
170.02376	1.1
171.04454	0.9
171.10229	49.5
172.05110	3.8
172.06311	0.8
172.10539	3.6
173.04623	3.6
173.06049	6.3
181.08676	7.3
184.03941	1.3
198.05563	2.2
199.06497	9.4
199.09737	100.0
199.13335	10.3
199.17014	3.3
200.07268	5.3
200.10078	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	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.40235	0.2
57.03324	0.5
59.01272	1.8
61.98699	0.7
65.01331	0.8
65.99763	0.3
71.01283	0.6
71.04922	0.4
73.02848	0.3
83.04929	0.6
85.02837	0.3
85.45757	0.2
95.04889	0.3
97.06453	0.3
99.00783	0.9
99.08086	0.3
102.53941	0.3
106.04023	0.5
111.00763	0.3
113.02352	0.6
124.27295	0.3
127.00240	0.3
127.03883	0.3
130.04063	0.6
137.09708	0.4
141.12791	0.3
153.12769	0.5
155.10704	1.0
157.05173	0.3
157.30873	0.2
158.03545	0.3
163.11226	0.9
166.97972	0.6
169.12312	5.3
170.02408	0.4
170.12575	0.4
171.10249	0.4
172.05055	0.5
173.06010	2.3
181.12309	18.5
182.12599	1.7
184.03996	0.5
197.11803	1.8
199.06221	1.8
199.13385	100.0
200.07263	2.3
200.09152	0.4
200.13731	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
53.03259	0.6
54.33281	0.7
55.01771	0.7
57.03331	1.9
58.00473	7.8
59.01269	4.5
61.98715	6.0
65.01341	4.4
65.99732	2.4
66.00856	0.8
67.01758	1.3
68.01317	0.8
68.69136	0.7
69.03331	3.2
69.27090	3.9
69.27525	4.1
71.01271	4.9
71.04897	1.8
72.99190	2.1
73.02836	23.8
83.01283	1.1
83.04919	3.4
84.02068	3.0
85.02831	2.2
87.00768	0.7
89.01327	1.9
91.02901	2.4
95.04911	1.8
97.06480	2.6
98.02389	1.0
98.20660	1.2
99.00802	1.1
99.04446	1.3
99.08018	1.0
101.06011	1.6
105.04501	0.9
106.04017	2.3
107.04937	0.9
109.06480	1.1
110.03533	0.8
111.00805	1.1
113.02349	1.6
116.02537	1.5
117.01878	0.9
119.02420	1.9
123.08064	3.1
125.06019	9.6
125.09648	13.3
126.09998	0.8
127.03967	1.2
127.11203	9.8
129.04543	1.3
130.04013	3.5
131.03490	1.7
132.05602	0.8
135.08066	2.0
137.06070	1.2
137.09636	14.6
138.10025	1.7
141.09113	3.6
143.03432	0.8
143.10739	4.1
144.04462	0.8
144.05603	0.8
145.02887	1.2
145.04010	1.9
146.03522	1.5
146.29485	0.7
151.07591	3.2
153.09163	5.3
154.09486	0.9
155.10707	12.6
155.11865	1.3
157.03961	0.8
157.05142	3.0
157.10555	2.2
158.03508	1.4
163.07635	1.5
170.02376	1.1
171.04454	0.9
171.10229	49.5
172.05110	3.8
172.06311	0.8
172.10539	3.6
173.04623	3.6
173.06049	6.3
181.08676	7.3
184.03941	1.3
198.05563	2.2
199.06497	9.4
199.09737	100.0
199.13335	10.3
199.17014	3.3
200.07268	5.3
200.10078	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
56.04905	1.0
57.03339	1.8
58.00478	8.2
59.01268	6.2
61.98721	2.5
65.01309	1.1
69.03355	3.7
71.01272	6.6
71.04900	2.4
71.52541	1.7
72.99183	1.0
73.02839	23.1
80.31619	1.0
81.03371	1.6
83.01283	1.1
83.04926	3.9
84.02076	5.2
85.02848	4.1
95.04896	2.0
97.02904	1.5
97.06487	3.5
99.00809	3.7
99.08088	1.9
109.06496	2.8
111.00789	3.0
111.08060	1.5
113.02367	3.4
116.02582	2.1
117.03339	1.7
119.08637	1.5
123.08116	1.6
125.02430	1.8
125.06026	10.1
125.09648	16.8
126.09991	2.0
127.00290	1.8
127.03951	2.7
127.07587	1.2
127.11206	9.8
128.03444	1.2
135.08099	2.4
136.63162	1.3
137.05949	1.3
137.09654	14.3
138.09969	1.0
139.15828	1.1
141.05357	0.9
141.09164	2.4
143.10719	3.4
143.91750	1.3
151.07574	4.1
153.09187	5.7
155.10713	15.7
156.89424	1.8
162.83818	1.4
163.07680	2.0
164.83595	2.7
171.04535	1.4
171.10229	58.3
172.10577	5.3
173.06032	14.7
181.08688	8.7
199.02467	1.6
199.06113	3.2
199.09752	100.0
199.13419	22.0
199.16977	8.1
199.80412	1.8
200.07198	13.7
200.10042	8.5
200.13786	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	199.0246
Annotation	2-Hydroxy-5-carboxymethylmuconate semialdehyde
Peak:m/z	Relative Intensity
55.01789	4.3
59.01268	4.4
61.43481	2.4
61.98719	6.5
65.00217	14.3
65.01341	9.1
66.00858	2.5
67.01778	49.8
68.99709	11.2
69.03347	9.2
70.38712	10.6
71.01289	4.1
71.04916	4.2
72.99208	6.1
73.02848	4.2
75.00769	6.4
79.01787	8.0
83.01288	28.7
83.04925	3.5
85.02834	2.6
91.02886	3.1
92.99689	2.6
95.01293	80.1
96.01638	5.0
97.02866	42.1
97.99989	4.8
98.19791	2.9
99.00822	6.9
99.04428	2.9
101.02361	6.4
109.02892	2.6
111.00795	84.3
113.02392	4.7
115.03897	2.4
123.00813	44.7
124.01675	2.5
125.02383	7.8
127.00311	3.7
127.03934	20.4
130.04016	3.8
131.03555	3.0
133.05096	3.3
137.02431	3.1
137.09703	2.8
137.99611	3.1
139.00313	77.8
140.01125	43.2
141.01781	6.2
145.03934	3.7
152.01117	4.8
153.01895	80.8
154.02176	5.2
155.03455	11.5
155.10817	2.8
157.05150	3.3
166.99825	100.0
168.00186	5.7
170.02455	12.2
170.05998	4.0
171.02969	10.4
172.05112	6.7
173.04631	4.9
173.06046	8.6
181.01393	95.2
182.01764	5.3
184.03976	13.3
185.00929	4.0
198.05608	14.8
199.02519	20.8
199.06367	57.7
199.09738	4.0
199.13425	6.2
199.17079	3.1
200.05859	2.1
200.07085	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
55.78824	0.8
57.03333	2.7
58.00486	8.3
59.01260	5.9
61.08288	1.1
61.98716	6.3
65.01335	6.3
65.99728	2.8
66.00856	1.9
67.01800	1.1
68.01293	1.0
69.03342	3.8
71.01270	4.8
71.04921	2.0
71.56167	1.2
71.56544	1.0
72.99207	1.3
73.02838	24.3
81.04478	1.3
83.01283	1.5
83.04913	2.5
84.02085	4.5
85.02834	1.9
89.01363	1.7
91.02943	1.7
92.02438	1.7
95.01262	1.2
95.04926	2.4
97.06490	3.0
99.00774	3.0
99.04433	1.8
99.08068	1.4
101.03600	0.8
101.05970	1.0
105.04483	1.9
106.04009	4.1
109.03948	1.0
109.06521	1.9
111.00765	1.4
111.04465	1.3
111.08073	1.7
113.02359	1.9
116.02496	3.3
118.04065	1.4
118.49782	0.8
119.02414	1.8
120.05547	1.1
123.08057	1.9
125.06042	7.7
125.09650	12.8
127.00292	1.2
127.03911	1.7
127.11201	9.0
128.11494	1.3
129.04533	1.0
130.04022	4.4
131.03545	2.3
134.03516	1.1
135.08093	2.8
137.05997	1.7
137.09653	15.3
139.00281	1.6
141.09145	2.5
143.03545	1.4
143.10738	5.4
144.04468	1.1
144.05620	1.7
145.02933	1.2
145.04016	2.4
145.05069	1.5
146.03542	2.5
151.07587	4.2
153.09198	5.8
155.07027	1.7
155.10709	12.8
156.05647	1.2
157.05095	4.8
158.03555	2.1
158.04674	2.1
159.03087	1.1
163.07600	2.2
171.03067	1.4
171.10234	48.2
172.03842	1.4
172.05127	5.6
172.06282	1.8
172.10526	5.0
173.04640	4.1
173.06038	11.1
181.08672	7.6
184.00050	1.6
197.07555	0.8
199.06216	7.8
199.09744	100.0
199.13383	11.4
199.16960	5.7
200.07259	9.4
200.10080	8.9
200.13614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01262	1.2
60.99206	0.4
61.98682	0.5
69.03341	1.5
71.42484	0.9
83.04921	0.8
95.01291	0.5
97.02895	0.4
104.64233	0.3
112.01593	0.5
117.28809	0.4
121.02869	0.6
123.00781	1.8
125.09595	0.4
131.03593	0.4
141.09137	0.8
150.26376	0.3
151.11234	1.3
153.05554	0.6
153.09126	1.7
153.12798	5.8
154.13104	0.6
162.83859	0.4
166.99843	1.2
169.12296	15.6
170.12624	1.1
171.06726	1.0
171.13873	0.4
179.10713	1.5
182.02138	2.9
197.04550	1.1
197.11819	100.0
198.08009	0.5
198.12169	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.36068	0.1
59.01270	0.7
68.99722	0.2
69.03346	1.6
69.61726	0.3
69.62135	0.8
71.01276	0.2
83.04918	0.7
95.01257	0.2
97.06478	0.3
109.06450	0.2
109.23104	0.1
116.92778	0.3
123.00823	0.5
123.08090	0.4
125.02351	0.2
125.09659	0.3
137.09612	0.3
140.72224	0.1
141.09175	0.9
151.11209	0.6
153.05511	0.2
153.09178	1.5
153.11626	0.2
153.12816	4.2
153.14041	0.2
154.13101	0.3
157.05157	0.2
160.84187	1.6
162.83868	4.7
166.99858	0.4
169.12303	16.0
170.12653	1.2
171.13838	0.3
174.69792	0.2
179.10757	1.4
182.02199	1.0
197.11818	100.0
197.80774	3.1
197.92987	0.2
198.12154	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	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	0.7
68.99699	0.2
69.03342	1.5
69.90765	0.8
71.01266	0.2
71.14992	0.1
81.03316	0.2
83.04918	0.9
85.06435	0.2
91.20889	0.1
95.04922	0.1
96.95893	0.1
97.06499	0.4
98.20438	0.2
99.08083	0.2
104.56875	0.1
116.92760	0.2
123.00006	0.1
123.00763	0.7
123.08054	0.3
125.02373	0.2
125.09641	0.4
126.90450	0.2
135.11723	0.2
137.09682	0.2
138.03185	0.2
140.28465	0.1
141.09183	0.8
151.11209	1.0
153.05511	0.2
153.09158	1.2
153.12798	4.3
154.13167	0.2
160.84175	1.6
162.83868	4.5
166.99792	0.5
167.10748	0.2
169.12299	15.5
170.12666	1.5
171.13873	0.2
179.10773	1.5
180.11043	0.2
182.02180	1.1
197.11816	100.0
197.80763	2.7
198.12152	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
58.48835	0.5
59.01263	2.6
60.99186	0.9
61.98723	1.7
65.00213	0.8
65.01322	0.6
69.03349	0.8
71.04912	1.4
71.59225	0.7
80.07302	0.4
81.03364	0.8
83.01305	0.5
83.04929	1.1
85.02881	0.5
85.06413	0.5
93.03340	0.6
95.01304	1.5
96.95901	0.7
97.02853	0.5
97.06495	11.1
98.06842	0.6
99.00775	1.0
99.08062	3.6
109.02873	1.1
109.06522	0.6
111.07997	0.5
112.01601	0.6
116.92780	1.6
121.02875	1.6
122.03659	1.1
123.00803	6.4
123.04496	0.7
125.02366	2.9
125.06030	0.6
125.09631	1.2
126.03180	1.1
126.90444	1.4
129.72867	0.5
135.08066	0.6
137.02400	0.6
137.09660	1.8
138.03191	1.9
151.11224	1.8
153.01863	0.8
153.05537	1.6
153.09225	1.5
153.12798	100.0
154.13148	9.3
160.84132	2.5
162.83881	4.4
166.99841	4.8
169.12271	1.4
171.06729	1.0
171.13850	1.7
175.91460	0.5
179.10739	21.5
180.11072	2.3
182.02185	11.2
183.01656	0.7
193.14191	0.5
197.00851	0.7
197.04596	4.4
197.06172	1.1
197.08162	2.1
197.11818	26.0
197.80815	3.7
197.90280	0.6
198.07809	0.9
198.12206	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.009
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
59.01252	1.2
60.99201	1.0
65.00237	0.9
67.01783	2.2
68.02405	2.5
68.67063	0.9
69.03356	4.6
70.40067	3.1
81.03337	5.0
83.01298	1.4
84.04420	1.6
95.01279	2.6
97.02848	3.3
98.20149	1.8
107.01295	3.4
107.04947	1.0
109.02852	2.0
121.02907	1.8
123.00812	8.2
124.01599	1.6
124.03952	2.3
125.02372	100.0
126.02719	5.1
126.05560	0.9
135.00798	4.4
138.03172	1.0
151.00356	1.1
152.03462	1.9
153.01886	16.1
153.05515	0.9
153.12828	3.9
154.02116	1.2
154.05052	6.3
156.04109	1.7
166.99815	2.9
171.13844	0.9
182.02223	5.3
186.19791	0.8
197.00883	4.3
197.04475	3.0
197.11830	8.0
198.04015	2.6
198.07695	1.8
198.12325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.3
57.03351	0.2
59.01267	11.2
61.54276	0.2
61.62040	0.2
65.01339	0.8
65.99740	0.3
66.03374	0.3
67.01773	1.1
68.99707	0.7
69.03336	0.3
69.62948	1.9
71.01270	3.3
72.99192	0.5
73.02848	1.1
73.53222	0.2
75.00772	0.8
81.03365	0.3
82.03986	0.5
83.01275	2.2
83.02394	0.3
83.04918	0.3
85.02874	1.5
89.02343	1.9
91.49107	0.3
95.01286	2.9
95.02390	0.4
97.02878	0.2
98.00028	0.3
98.02394	0.4
99.00803	0.3
101.02347	2.2
103.03914	0.3
107.01315	3.0
107.04896	0.3
108.02080	1.9
109.02882	0.4
109.04002	0.4
110.02336	0.2
110.03511	0.3
111.00800	10.4
111.01575	0.5
111.04426	0.3
112.01186	0.3
115.03898	0.3
115.36943	0.3
117.05548	0.3
119.03450	0.4
121.02860	0.4
122.03625	0.6
123.00806	22.1
123.04421	0.7
123.08170	0.3
124.01602	21.5
125.01942	0.8
125.03482	0.7
129.01833	0.4
130.04063	0.3
135.00816	1.6
135.06557	1.8
136.01598	0.5
136.05232	0.4
137.02376	2.0
137.05968	0.4
139.00284	2.1
142.04045	0.4
150.03203	1.5
151.03896	0.9
151.07553	0.4
151.11235	0.2
152.01094	4.2
154.02621	0.3
165.01886	0.8
165.05511	1.5
167.03465	5.7
168.04117	0.4
169.05135	1.0
177.04263	0.3
177.07631	0.9
180.04265	1.4
195.02980	100.0
195.08742	2.8
195.10265	1.2
196.03334	8.1
196.06075	1.4
210.65512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0509
Annotation	L-Gulonate
Peak:m/z	Relative Intensity
51.32262	0.8
57.03333	5.0
58.00483	1.1
58.51814	0.9
58.99491	1.5
59.01270	32.6
70.58049	3.2
70.98657	0.8
71.01273	12.9
72.01604	1.5
72.99200	8.3
74.21938	0.8
75.00767	100.0
76.01090	1.8
78.95797	34.9
80.96422	1.1
81.03362	1.1
83.01299	2.3
85.02864	8.0
87.00775	25.2
89.02348	9.7
89.51786	0.9
96.96868	76.1
97.02860	1.2
99.00775	9.8
101.02351	3.9
105.01849	9.7
107.01670	0.8
107.04978	1.5
111.00791	5.4
113.02360	1.2
117.01823	0.9
124.01614	1.3
129.01869	33.0
130.02164	1.3
135.06589	1.4
136.99103	0.8
141.01898	3.4
147.02936	4.1
150.03082	1.2
151.03960	1.3
158.92499	2.4
159.02945	10.4
165.05583	1.1
171.29951	1.0
176.93585	4.8
177.04028	10.4
180.04295	1.4
195.03290	3.9
195.05081	84.7
195.08795	2.7
196.05356	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	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.62303	0.2
55.01769	0.3
57.03336	0.3
59.01267	12.2
59.17086	0.2
60.61954	0.2
61.98719	0.9
69.03350	0.3
70.13700	0.5
70.14094	0.3
71.01276	3.7
73.02842	1.4
79.11736	0.2
81.03363	0.4
83.01286	0.4
85.02854	1.6
87.00797	0.2
89.02342	2.6
95.01286	0.2
96.95916	0.8
97.02831	0.4
99.04446	0.2
99.08037	0.3
101.02361	3.2
103.03909	0.4
106.89297	0.2
107.04890	0.3
108.02061	0.4
109.06506	3.2
110.06836	0.3
111.04441	0.2
111.08075	3.2
113.02381	0.3
115.03951	0.6
119.03431	0.6
121.02869	0.5
122.03640	0.4
123.00834	0.5
123.04432	0.7
125.02364	0.3
125.09644	0.8
135.04488	0.3
135.06577	1.2
135.11734	0.2
136.05235	0.6
137.02371	0.3
137.06056	0.2
138.06812	0.6
150.03163	0.9
151.03912	0.3
151.07593	0.4
151.11215	0.6
152.91710	1.2
152.94432	0.3
158.84637	0.3
160.84175	15.0
165.01901	0.5
165.05540	0.4
165.65346	0.2
167.03444	0.3
167.14369	6.4
167.90475	0.3
168.14758	0.4
177.05606	0.2
177.07611	1.0
179.10742	4.0
180.04318	1.1
180.11113	0.5
183.13951	0.2
195.03008	1.1
195.06645	1.5
195.08748	3.3
195.13890	100.0
195.81085	6.5
196.14241	10.2
205.02905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0716
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
52.04163	3.7
55.01768	4.2
59.01264	33.2
59.15060	4.4
69.03348	9.7
70.25240	18.4
71.01276	42.7
72.99185	4.9
73.02840	37.1
75.00768	6.1
83.01283	9.6
85.02846	53.3
86.00000	5.7
86.34071	4.1
87.00768	23.3
95.01288	6.3
97.02856	18.0
99.00777	31.1
101.02347	59.9
113.02371	6.4
120.70454	3.6
121.02860	4.7
123.00836	9.4
125.02374	17.4
134.03671	18.6
140.01111	4.4
141.01892	8.7
149.02370	7.5
149.06021	14.2
149.09711	4.8
155.03491	7.4
161.04503	100.0
178.02716	49.7
179.03137	5.2
193.05078	43.5
193.07150	66.4
193.08734	11.1
194.07655	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	194.0458
Annotation	6-Hydroxy-3-succinoylpyridine
Peak:m/z	Relative Intensity
59.01265	55.4
63.94906	4.4
65.99738	24.2
66.03373	3.7
68.01298	7.4
69.03338	6.1
70.01098	18.7
71.01261	16.4
72.99191	4.2
73.02831	5.1
73.36873	3.2
75.00787	5.1
81.03341	12.6
83.01261	4.5
83.02386	3.6
85.02857	11.7
87.00777	5.1
87.08781	3.5
93.03362	14.3
94.02879	5.9
95.01275	6.4
96.00816	4.3
97.02865	9.1
101.02327	9.6
107.01306	6.7
108.02062	8.8
108.04487	25.1
109.02859	87.5
109.03948	3.7
110.02375	14.3
111.00787	7.5
111.04440	7.6
113.02327	6.4
117.05574	3.6
118.02923	18.2
119.03293	3.7
121.02876	50.1
122.02386	11.5
123.00775	14.6
123.03157	6.5
123.04498	16.7
124.01554	11.9
124.03960	8.7
125.02380	28.2
125.06052	3.8
132.04453	10.8
134.02400	9.7
134.03459	4.9
135.00752	4.3
135.04315	4.2
135.06526	9.4
136.01591	53.5
136.05202	7.7
137.02351	9.9
139.03911	13.0
148.03960	15.6
149.02373	54.1
150.01854	4.5
150.03134	12.2
150.05548	13.2
151.03993	20.6
151.07550	5.1
152.01031	4.0
152.03488	69.0
153.01903	55.2
154.02286	5.0
162.04854	8.5
164.03476	6.8
165.01877	8.5
165.05518	9.0
166.04990	7.1
167.03465	64.2
168.03926	3.9
175.65952	3.5
175.99858	6.0
176.03473	73.4
177.01949	4.1
177.03899	5.4
179.03088	8.9
180.04288	10.7
182.39229	3.3
194.04532	100.0
195.02959	44.3
195.04898	12.8
195.06618	12.9
195.08578	8.0
195.10208	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0299
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
50.41843	0.4
52.18268	0.5
59.01258	2.5
61.18534	0.5
65.01329	0.5
67.01781	1.1
68.99690	0.6
71.01250	1.3
71.46845	1.0
83.01269	1.9
89.02352	0.6
92.47858	0.5
95.01302	2.7
101.02322	0.6
107.01312	2.8
108.02086	4.0
111.00787	9.9
123.00804	20.6
124.01598	25.2
125.01991	0.9
135.00819	2.2
136.01697	0.5
137.02335	1.7
139.00264	2.6
139.41454	0.6
152.01089	4.1
167.03445	4.9
177.69696	0.5
195.02971	100.0
196.03294	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	191.0197
Annotation	D-Glucaro-1,5-lactone
Peak:m/z	Relative Intensity
57.03341	4.3
59.01260	1.7
67.01776	0.9
70.42982	1.6
71.01250	0.5
72.99207	0.9
73.02829	2.0
81.03395	0.5
84.81135	0.5
85.02847	34.4
86.03185	1.6
87.00774	38.9
88.01116	0.9
93.03365	3.1
95.46262	0.4
96.31227	0.4
101.02330	0.9
103.03932	0.4
111.00793	100.0
112.01140	4.4
117.01868	2.9
127.03948	1.8
129.01869	7.5
130.99779	0.6
137.48505	0.4
147.03026	0.4
149.01384	0.4
154.99803	2.2
171.02959	0.7
173.00861	4.5
173.04472	0.9
182.47615	0.4
191.01978	13.6
191.05588	56.5
192.02243	0.6
192.05931	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.9
58.00508	0.3
59.01265	6.3
67.01786	0.9
68.02935	0.3
69.03360	0.5
71.01263	1.9
73.02842	1.1
79.03493	0.3
81.03345	0.6
83.04963	0.7
83.97490	0.3
85.02845	18.9
86.03165	0.5
87.00771	8.1
87.01280	0.5
87.35661	0.3
93.03366	5.0
99.04445	0.9
109.02862	1.6
109.78933	0.3
111.00792	10.7
111.04426	1.3
112.01134	0.6
113.02334	0.3
119.04939	1.7
121.02877	100.0
122.02352	0.4
122.03216	6.0
127.03934	3.4
129.01862	0.7
131.03421	0.3
135.84105	0.3
147.04459	6.1
155.03389	0.3
163.03972	0.6
171.02924	0.9
173.04546	1.6
176.01074	1.3
191.03535	9.6
191.05577	76.2
192.03970	0.6
192.05927	4.7
199.61122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0558
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
57.03341	5.8
58.00492	0.4
59.00989	0.5
59.01268	5.5
65.88404	0.3
67.01777	4.2
69.03339	0.7
71.01271	3.2
71.14469	0.7
72.99200	1.2
73.02843	2.2
76.74907	0.3
81.03340	1.5
83.01375	0.3
83.04916	1.5
85.02844	52.3
86.03164	1.9
87.00774	37.7
88.01108	1.4
93.02766	0.6
93.03362	10.0
94.03656	0.6
99.00780	0.5
99.04414	1.5
101.02337	0.7
109.02867	2.3
111.00794	65.6
111.04409	2.8
112.01123	2.6
117.01840	1.0
125.14548	0.3
127.03945	5.9
128.46971	0.3
129.01865	4.2
130.99777	0.6
147.02925	0.5
154.99820	1.0
155.03339	0.4
171.02916	1.5
173.00919	2.3
173.04512	2.0
191.02020	8.0
191.05589	100.0
192.05936	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	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
57.03333	0.3
59.01255	0.7
63.10564	0.2
65.00204	0.4
65.01338	0.3
67.01769	0.6
68.99707	0.6
70.89133	0.2
70.93146	0.6
71.01265	1.0
72.61851	0.2
72.99207	1.0
78.01031	0.2
82.00451	0.2
83.01279	0.9
83.04893	0.3
87.00776	0.4
90.98788	0.2
95.01270	0.5
96.99226	0.3
98.02366	0.3
98.03532	0.2
99.00782	0.4
110.00021	0.9
111.00802	6.6
111.04420	0.3
121.06539	0.2
123.00800	0.9
124.01582	2.5
124.98720	0.5
127.00295	2.3
136.98744	4.2
137.99080	0.3
138.99240	0.4
139.00311	5.7
139.03941	0.6
139.07549	0.2
139.11232	0.5
140.01099	9.5
141.01495	0.6
151.00316	0.7
152.98274	0.5
154.99831	0.7
155.03473	0.3
156.05603	0.3
157.05173	0.5
168.00609	13.5
169.01027	1.2
181.57938	0.2
183.02965	100.0
183.10204	1.7
184.03302	7.4
184.10574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0296
Annotation	3-O-Methylgallate
Peak:m/z	Relative Intensity
51.39024	0.6
57.16211	0.6
59.01271	0.9
65.00201	1.7
65.01334	0.9
67.01783	3.1
68.99704	1.0
69.03344	5.7
70.69069	1.2
70.69452	1.4
75.00793	0.8
79.01798	2.8
80.02585	1.6
81.03355	3.4
85.06340	0.6
88.22793	0.6
95.01288	13.5
96.01613	1.1
97.02864	3.3
105.76819	0.6
107.01302	17.1
109.02853	1.0
109.99999	0.7
111.00804	5.5
123.00803	11.2
124.01612	16.4
125.02171	0.7
127.00315	2.0
136.98767	4.1
139.00308	5.7
139.03951	28.1
140.01115	9.0
140.04276	0.9
141.01862	2.4
149.99559	1.1
151.00320	39.2
152.00671	2.2
154.99803	0.9
155.02203	0.6
155.03465	1.3
156.00601	0.9
156.05626	1.0
157.05122	1.7
168.00595	12.0
169.01390	7.1
183.02968	100.0
183.10217	1.4
184.03331	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	185.1181
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
59.01263	1.5
61.98699	0.4
65.01340	1.5
65.99731	0.6
69.03339	1.0
69.40104	2.3
71.01237	0.4
71.04896	0.3
78.95798	0.4
85.02824	0.5
89.01354	0.3
91.02923	0.9
92.02449	0.3
97.06494	1.1
99.00770	0.4
106.03981	0.3
109.37737	0.3
110.15038	0.3
112.33335	0.3
113.05952	0.3
113.09667	0.3
115.02965	0.5
116.02518	0.9
117.04507	0.4
120.05536	0.3
121.05124	2.6
121.29573	0.3
123.08046	1.0
125.09651	0.7
130.04115	0.3
132.01944	0.3
132.05585	0.8
139.11214	0.9
141.09164	3.3
141.12793	3.0
142.04086	0.5
143.03499	0.3
144.01941	0.3
144.04433	0.7
144.05589	1.1
145.05144	0.4
158.02438	0.4
158.03606	1.6
158.05820	0.4
158.07162	0.4
159.03140	0.5
159.04460	4.8
159.06740	0.8
167.10757	1.6
185.04605	1.1
185.08432	2.7
185.11806	100.0
186.01830	0.5
186.05544	3.2
186.07794	1.1
186.12177	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	187.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96641	2.1
54.20508	2.2
55.01775	14.0
57.03331	8.2
58.02869	6.5
59.01269	30.7
63.03767	2.6
65.00203	3.9
67.01775	8.0
68.99697	23.1
69.03332	5.3
71.01273	70.2
71.04913	4.0
71.51543	3.4
72.00787	5.7
72.99196	10.8
73.02831	5.3
75.00775	4.1
78.29908	2.3
78.32536	2.3
80.72115	2.2
80.99725	6.1
81.03369	3.9
82.02885	2.8
83.01278	25.1
85.02845	7.2
87.00775	7.5
87.45885	2.2
89.02348	10.3
93.64925	2.3
96.99221	7.2
97.02884	2.4
97.06487	17.9
97.99994	6.8
98.02386	25.6
99.00787	100.0
99.04433	23.8
100.03939	7.8
100.07583	4.8
101.02349	5.1
101.07097	3.0
102.05527	4.0
109.99994	2.8
111.00785	9.6
114.05531	7.4
114.09155	7.0
115.03937	4.9
116.03454	40.2
116.07102	13.9
117.01862	5.2
123.08092	6.4
124.98724	6.7
125.02384	43.3
125.06004	6.0
125.09641	76.5
125.99532	5.8
126.10003	6.6
127.00306	29.5
127.05080	2.9
128.03476	4.8
129.01872	7.9
136.98749	4.6
142.05017	3.9
142.08664	10.4
142.99870	2.9
143.03424	6.3
143.04623	10.0
143.07089	12.2
144.02960	49.1
144.06567	4.8
145.01369	3.4
145.05032	6.0
154.99811	15.9
157.01350	8.5
159.03012	3.9
159.04379	3.2
160.05025	2.9
169.01381	13.4
169.08733	3.4
187.02293	28.3
187.03989	14.8
187.06123	13.7
187.07980	4.7
187.09702	36.2
188.03458	12.3
188.05617	8.8
188.09235	14.1
195.37764	2.9
198.88165	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	187.0246
Annotation	(Z)-But-2-ene-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
50.96641	2.1
54.20508	2.2
55.01775	14.0
57.03331	8.2
58.02869	6.5
59.01269	30.7
63.03767	2.6
65.00203	3.9
67.01775	8.0
68.99697	23.1
69.03332	5.3
71.01273	70.2
71.04913	4.0
71.51543	3.4
72.00787	5.7
72.99196	10.8
73.02831	5.3
75.00775	4.1
78.29908	2.3
78.32536	2.3
80.72115	2.2
80.99725	6.1
81.03369	3.9
82.02885	2.8
83.01278	25.1
85.02845	7.2
87.00775	7.5
87.45885	2.2
89.02348	10.3
93.64925	2.3
96.99221	7.2
97.02884	2.4
97.06487	17.9
97.99994	6.8
98.02386	25.6
99.00787	100.0
99.04433	23.8
100.03939	7.8
100.07583	4.8
101.02349	5.1
101.07097	3.0
102.05527	4.0
109.99994	2.8
111.00785	9.6
114.05531	7.4
114.09155	7.0
115.03937	4.9
116.03454	40.2
116.07102	13.9
117.01862	5.2
123.08092	6.4
124.98724	6.7
125.02384	43.3
125.06004	6.0
125.09641	76.5
125.99532	5.8
126.10003	6.6
127.00306	29.5
127.05080	2.9
128.03476	4.8
129.01872	7.9
136.98749	4.6
142.05017	3.9
142.08664	10.4
142.99870	2.9
143.03424	6.3
143.04623	10.0
143.07089	12.2
144.02960	49.1
144.06567	4.8
145.01369	3.4
145.05032	6.0
154.99811	15.9
157.01350	8.5
159.03012	3.9
159.04379	3.2
160.05025	2.9
169.01381	13.4
169.08733	3.4
187.02293	28.3
187.03989	14.8
187.06123	13.7
187.07980	4.7
187.09702	36.2
188.03458	12.3
188.05617	8.8
188.09235	14.1
195.37764	2.9
198.88165	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	187.0511
Annotation	Caulibugulone A
Peak:m/z	Relative Intensity
57.03315	1.8
59.01273	6.6
61.63254	1.3
64.01792	2.7
65.99723	6.1
68.47586	1.3
71.01276	3.4
71.04416	4.0
90.03374	1.8
92.00472	1.3
97.06508	2.9
104.04977	3.4
117.04524	12.3
118.02136	1.5
118.02914	26.9
120.00772	1.5
123.04439	2.2
125.02391	2.5
125.09647	19.8
131.06104	1.6
132.04482	21.1
133.02876	3.0
143.02461	1.4
144.03217	11.1
144.04396	3.0
145.03951	3.0
146.02399	7.6
147.03209	25.9
148.03668	1.4
159.03198	1.7
159.05574	7.4
160.03989	100.0
161.02348	2.8
161.04382	9.3
169.04059	3.3
172.01653	1.2
172.02766	12.5
176.99321	1.3
187.01453	2.9
187.05092	95.8
187.09711	13.1
188.03481	5.0
188.05447	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	187.0974
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
56.59225	0.3
57.03338	3.5
59.01265	0.9
61.98716	0.4
65.01336	1.1
65.99750	0.6
68.01304	0.4
69.03354	0.8
69.27995	0.3
70.86205	0.7
70.86555	0.4
71.01266	0.3
71.04919	0.3
80.02569	0.6
83.04895	0.6
86.96918	0.3
89.01339	0.3
91.02936	0.5
91.43424	0.3
94.41718	0.3
95.04941	0.8
97.06492	10.2
98.06857	0.4
106.04036	0.5
107.02419	0.5
117.13311	0.3
118.04053	0.5
119.02429	0.6
121.05067	0.3
122.03515	0.4
123.08083	5.5
125.09648	100.0
126.09981	7.6
133.04010	1.1
134.03525	0.3
143.10736	1.3
144.04404	0.4
145.05121	0.7
146.03564	0.5
160.05107	2.1
161.04689	0.4
168.88895	0.3
169.08662	2.7
187.06334	1.6
187.09734	52.6
188.03413	0.8
188.10091	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.3
65.00205	1.1
65.01324	0.4
67.01775	1.0
68.99716	0.8
69.03350	0.5
69.47395	3.3
71.01276	0.5
72.99200	1.5
75.74807	0.4
83.01295	1.6
85.02833	0.4
87.00805	0.5
87.44082	0.4
93.03407	0.5
98.19844	0.8
98.72536	0.4
99.00749	0.5
107.01274	0.4
110.00003	1.3
111.00793	7.9
112.01019	0.5
112.03957	0.6
123.00836	2.0
123.53348	0.4
124.01601	4.3
124.03953	0.5
124.98736	0.7
125.55647	0.4
127.00308	4.1
135.72107	0.4
136.98729	4.8
139.00299	7.6
139.03975	0.5
139.07443	0.4
140.01088	11.6
141.01454	0.6
141.39261	0.4
143.03584	0.4
148.61020	0.4
151.00275	0.8
152.98224	0.7
154.99831	0.9
157.05136	0.8
167.99139	0.9
168.00603	16.5
169.00967	1.9
183.02960	100.0
183.10196	2.1
184.03323	6.6
184.06163	0.5
184.91545	0.4
187.24033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0456
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
65.35371	0.2
69.03341	0.2
71.08385	0.4
73.25303	0.1
74.53867	0.2
76.04155	0.2
92.04966	4.3
94.02903	1.2
101.36634	0.2
105.38010	0.2
108.04469	56.5
109.02876	0.9
109.04089	0.2
109.04802	3.2
110.02465	0.4
110.03214	1.8
110.06025	0.7
111.00800	0.2
111.04460	0.3
120.04487	5.8
121.04789	0.3
122.02409	1.4
123.03181	1.1
136.04036	1.0
138.05556	100.0
139.05916	5.5
139.11165	0.2
152.03488	0.8
152.98207	0.3
167.03087	0.3
168.00565	0.4
182.04564	33.6
183.03133	0.3
183.04890	2.5
183.06494	0.3
183.10181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55859	0.2
65.00206	0.2
68.39266	0.1
69.19885	0.1
71.01276	0.2
71.32742	0.4
78.14807	0.2
78.98486	0.4
81.03337	0.4
91.01807	1.4
93.03345	0.4
95.01299	0.3
101.87729	0.2
106.46242	0.2
108.02100	1.4
108.04443	0.9
109.02866	100.0
110.03197	5.5
112.69446	0.2
120.83086	0.2
122.19817	0.2
136.01588	1.8
137.02379	16.6
138.02721	1.0
138.05525	1.8
151.00320	0.4
153.01932	0.2
166.02635	0.4
181.01402	1.2
181.04982	0.2
182.04570	0.6
196.56735	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.014
Annotation	3,5-Dihydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
52.31261	0.2
57.69469	0.2
58.28367	0.2
63.96117	0.4
65.00210	0.6
65.03828	0.4
66.82339	0.2
69.03343	0.2
70.87931	0.3
70.88264	0.4
71.01266	0.3
71.92358	0.2
78.98484	0.5
81.03364	1.3
91.01794	2.2
93.03370	0.7
95.01243	0.3
108.02093	3.4
109.02867	100.0
110.03201	6.0
119.01266	0.3
123.00765	0.4
136.01611	3.5
137.02386	16.2
138.02748	1.2
151.00330	1.0
153.01830	0.4
166.02675	1.1
181.01402	0.5
181.04971	0.4
181.07124	0.3
189.89673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0401
Annotation	3-Dehydro-2-deoxy-D-gluconate
Peak:m/z	Relative Intensity
58.39145	1.2
59.01268	100.0
71.01278	6.2
71.32697	2.4
75.00768	1.7
78.95795	18.3
85.02850	2.1
87.00780	3.7
89.02361	1.2
99.00802	3.0
99.80429	1.3
108.26834	1.1
115.00274	2.8
115.03982	1.1
129.01860	3.2
133.02876	3.2
134.03647	1.1
158.92497	2.2
162.03194	4.5
176.93515	2.5
177.01964	4.7
177.04065	1.4
177.05476	2.8
177.07657	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0506
Annotation	p-(Acetylamino)benzoic acid
Peak:m/z	Relative Intensity
59.01265	4.8
64.03103	0.4
65.03867	0.7
65.99746	0.7
68.01324	0.3
69.54890	2.0
69.55292	0.7
71.01283	2.7
73.02853	0.4
81.03371	1.4
83.01305	0.5
85.02856	1.3
87.00771	5.0
89.02357	1.3
91.01715	0.3
91.02905	0.3
93.03359	11.4
94.03716	0.3
95.01294	0.4
97.02889	0.6
98.19822	0.7
99.00791	0.9
101.02357	0.8
108.02106	1.9
108.04482	0.5
109.02865	8.9
110.03162	0.4
113.02341	0.4
116.05009	0.4
117.01874	0.9
118.02916	0.7
119.02394	0.4
121.02878	1.0
123.04436	0.5
125.02358	0.7
135.03186	1.2
135.04471	2.1
136.03981	100.0
137.02383	42.8
137.04221	6.2
138.02686	2.3
141.01964	0.4
151.03966	1.9
151.05043	0.6
152.04593	0.4
160.03999	5.6
161.04495	2.9
164.01109	0.5
178.05064	24.1
179.03653	0.6
179.05522	6.0
179.07002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0141
Annotation	3,5-Dihydroxyphenylglyoxylate
Peak:m/z	Relative Intensity
60.11350	0.1
63.96121	0.2
65.00204	0.2
65.03839	0.1
71.15656	0.1
71.18834	0.1
75.17106	0.1
76.46397	0.1
78.98487	1.1
81.03368	0.6
90.80157	0.1
91.01796	1.2
93.03371	0.3
95.01286	0.1
108.02097	1.4
108.04475	0.3
109.02871	100.0
110.03203	5.7
119.01305	0.2
123.00776	0.1
136.00648	0.1
136.01596	1.5
137.02388	16.2
138.02722	1.1
138.05547	0.9
153.01897	0.4
181.01448	1.5
182.04602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
55.01751	0.8
57.03340	3.5
58.02854	0.8
59.01251	0.9
60.99186	0.2
67.01775	6.5
68.02136	0.2
68.99702	0.9
69.03331	0.5
70.63176	0.4
70.63548	0.4
71.01270	7.9
72.99197	2.7
73.02839	4.8
81.03336	0.6
82.02834	0.2
83.01275	3.3
83.04919	1.9
85.02844	29.5
86.03168	1.2
86.06000	0.3
87.00772	0.9
93.03359	11.7
94.03707	0.7
96.99201	0.3
99.00781	5.2
99.04413	1.4
100.07571	0.7
101.02350	2.5
102.02695	0.2
109.02885	0.3
111.00790	100.0
111.04427	4.3
112.01133	4.6
112.98696	1.3
115.00314	0.3
124.98736	1.6
126.01893	0.2
127.31993	0.2
128.03485	0.3
128.07088	2.1
129.01862	7.6
129.05504	0.5
130.02243	0.4
131.08179	1.2
132.06586	0.5
137.02379	1.7
142.99785	3.6
143.03473	0.2
154.99811	6.3
155.03386	1.2
156.00185	0.4
173.00868	4.5
173.04518	2.4
173.08124	0.3
174.01208	0.4
174.07664	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	175.0609
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
50.35345	1.2
55.01775	1.5
57.03331	2.2
59.01267	13.3
64.01802	3.0
65.01330	2.7
65.99739	2.6
69.03330	1.1
70.53954	2.8
71.01270	11.0
72.99208	6.3
73.02847	2.4
75.00772	3.2
83.01281	2.5
85.02853	6.0
85.06484	38.8
86.06804	1.9
87.00779	17.0
87.04403	1.7
93.03371	3.2
95.01287	1.6
98.20456	1.2
99.00806	4.9
99.68992	1.0
101.02351	1.6
106.04008	1.3
111.00833	1.2
113.02348	2.6
113.05999	37.8
114.06358	2.0
115.00294	9.8
115.03931	100.0
116.01005	1.0
116.04273	4.4
117.01807	0.9
119.04951	1.5
120.00856	1.9
120.04495	1.7
121.02853	2.7
121.58615	1.0
127.00307	6.1
129.05492	1.2
131.03552	2.6
131.04993	1.0
131.07085	8.1
132.04443	1.8
133.01476	1.1
134.02473	1.3
134.03484	1.7
136.01607	2.9
146.02493	1.3
147.03320	1.2
147.04454	3.4
148.00348	5.8
148.03999	4.8
148.05090	1.3
149.02419	4.6
157.05003	9.6
175.02536	3.1
175.03781	5.9
175.06102	55.1
176.03445	7.7
176.06425	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	172.0976
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
57.03356	2.2
58.02859	1.5
59.01264	3.5
60.99192	4.1
65.01329	3.6
65.03860	0.5
65.99736	2.5
66.00853	1.0
67.01781	27.2
67.67897	0.3
68.99720	0.6
69.03340	4.8
70.95356	0.6
70.95692	0.4
71.01274	7.2
72.99187	2.4
73.02849	2.7
74.02367	0.4
75.00772	0.7
77.01346	0.7
79.48534	0.5
81.03345	2.2
83.01277	0.5
83.04935	2.9
85.02838	1.9
85.06503	0.5
87.00745	0.5
87.04400	0.4
89.01349	1.1
90.00822	0.4
91.02927	1.2
93.03364	100.0
95.01266	0.7
97.02847	0.6
99.00779	4.0
99.01868	0.4
99.04442	1.4
99.08072	1.0
101.02344	0.6
103.02934	0.5
104.02423	0.5
106.04029	1.3
108.16299	0.4
109.02849	1.5
111.00800	1.4
111.04435	13.3
111.08083	3.9
112.98679	0.6
113.02364	0.8
113.49387	0.4
115.00294	1.1
115.03963	0.5
115.92000	0.6
116.02485	0.6
117.67485	0.4
118.02880	0.5
118.04017	1.8
119.02419	2.1
120.05608	0.5
120.62406	0.4
123.00799	0.9
127.07554	0.8
128.10739	1.7
129.01872	1.1
129.05482	0.5
129.09145	1.1
130.04106	2.2
130.08670	74.0
131.03543	2.4
131.07271	0.6
131.08205	0.9
131.09053	4.0
132.05646	0.5
133.02765	0.6
137.02380	1.8
140.01080	0.4
141.01888	0.4
141.86259	0.4
142.99751	0.5
143.03596	1.1
144.01968	0.4
144.04453	1.8
145.01413	0.7
145.02829	2.1
145.03993	0.9
145.05113	2.8
146.03548	5.4
155.03427	1.5
172.02640	0.7
172.03932	3.0
172.05029	0.7
172.06305	2.7
172.09717	12.0
173.02261	1.0
173.04575	17.7
173.08185	3.4
173.10048	1.1
173.11813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91889	0.2
55.01774	1.2
57.03343	3.8
58.00489	0.3
58.02855	0.4
59.01267	1.0
60.27033	0.2
60.99191	0.7
65.03846	0.3
67.01780	7.3
68.02113	0.3
68.99704	1.6
69.03353	1.0
69.16682	0.2
71.01273	9.5
71.52495	0.2
72.01627	0.2
72.99204	3.3
73.02839	4.8
75.00776	0.3
81.03345	1.0
83.01279	4.0
83.04928	2.0
85.02847	26.3
86.03185	1.0
86.06036	0.2
87.00782	1.0
90.32989	0.2
93.03363	19.9
94.03688	1.0
95.01223	0.2
95.71425	0.2
96.99210	0.2
97.02811	0.2
99.00786	5.8
99.04424	1.6
100.07593	0.4
101.02352	3.7
109.02880	0.4
111.00795	100.0
111.04427	5.0
111.08067	0.4
112.01131	4.6
112.04829	0.2
112.98718	1.2
115.00259	0.3
124.98746	1.7
126.01891	0.3
128.07068	0.6
129.01866	7.9
129.05476	0.2
130.02144	0.3
131.08205	1.1
137.02379	2.1
142.98776	0.3
142.99811	3.5
143.03467	0.6
154.99820	7.4
155.03423	1.2
156.00117	0.4
173.00880	6.5
173.02365	0.4
173.04521	2.5
173.06030	0.3
173.08115	0.3
174.01440	0.2
174.07715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0296
Annotation	5-Methylmaleylacetate
Peak:m/z	Relative Intensity
55.01770	0.7
56.81448	0.4
57.03332	0.6
57.14360	0.4
58.74714	0.4
59.01265	2.9
62.23562	0.5
65.03854	8.1
66.03391	2.0
67.01790	4.0
68.01299	0.5
68.99694	1.5
69.03349	7.9
69.49142	1.2
69.49564	1.6
71.01273	8.4
71.04915	1.6
72.99196	1.5
73.02842	0.4
78.95794	5.9
79.02345	0.4
81.03355	20.8
82.02869	0.6
82.03699	0.9
83.01280	1.1
83.04933	1.4
85.02835	2.9
86.00006	0.7
87.00777	2.9
91.01801	1.2
95.01314	1.0
96.95907	1.3
96.96893	0.9
97.02848	1.9
98.19794	0.8
99.00789	2.3
99.04419	4.2
108.02085	7.1
109.02871	100.0
110.02396	4.6
110.03210	5.8
110.62302	0.5
111.00777	3.5
111.47334	0.4
112.00308	1.2
113.02372	1.2
115.00313	0.5
124.98730	1.7
125.02366	3.2
127.00320	1.1
127.03942	64.1
128.04239	3.3
128.07066	0.5
142.99843	0.5
143.03444	1.7
149.05814	0.4
152.98239	1.3
153.01884	3.8
154.02281	0.6
170.99518	2.8
171.02985	12.7
171.10237	3.1
172.02451	1.1
173.62045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1024
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
54.56351	0.5
56.51075	0.6
59.11798	0.5
59.38992	0.5
64.02431	0.5
65.01316	0.7
69.39961	4.6
107.87114	0.5
111.15697	0.5
117.89353	0.6
118.04090	0.6
125.09672	2.8
127.11205	5.8
128.11601	0.7
130.04034	1.1
144.05640	0.8
153.09195	1.5
171.01987	0.8
171.10240	100.0
172.10582	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	171.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80801	0.3
50.94149	0.3
56.91297	0.4
58.81602	0.3
59.01260	0.7
61.59500	0.4
65.01340	2.7
70.14065	0.4
70.44566	1.4
70.94132	0.4
71.01262	0.5
81.04477	0.8
89.01363	1.6
95.08434	0.4
98.19872	0.5
99.08083	0.6
105.04488	0.7
106.04019	0.6
109.02863	0.4
109.06531	0.6
111.00808	0.4
115.91954	0.7
116.02473	0.5
118.02930	0.4
123.08027	0.4
125.09625	2.8
127.07553	0.8
127.11224	6.1
130.04028	1.1
130.08733	0.6
131.03627	0.5
137.40918	0.4
143.03572	0.4
144.01991	0.4
144.04530	0.8
144.05612	2.4
145.05113	1.0
153.09164	1.3
171.01901	2.3
171.07011	3.6
171.10231	100.0
172.05066	0.6
172.06313	1.1
172.10580	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	165.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.2
59.01270	9.8
59.14060	0.5
64.68349	0.4
64.81302	0.5
70.66032	0.7
70.66403	1.4
71.01269	7.3
72.99206	6.9
73.02846	3.7
75.00766	25.6
78.95819	0.7
80.96395	0.6
85.02846	0.9
87.00774	100.0
88.01100	2.7
89.02339	3.0
98.20044	0.5
99.00783	12.3
99.01430	0.6
101.02355	4.5
103.00311	0.5
104.19062	0.5
105.01844	81.5
106.02174	2.7
115.00288	0.5
117.01851	3.8
118.51112	0.5
119.03447	0.8
121.02899	0.5
129.01881	2.5
135.02945	2.1
147.02930	11.8
165.04002	84.2
166.04308	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	167.0345
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
52.65664	0.2
54.91985	0.2
57.54347	0.2
61.79238	0.2
67.01781	0.4
71.40651	0.4
71.40998	0.3
83.01285	0.9
95.01286	1.0
107.01302	0.7
108.02078	3.2
111.00789	4.8
123.00797	2.0
124.01598	4.2
135.00748	0.3
135.56108	0.2
139.00333	1.2
150.11443	0.2
152.01097	17.0
153.01451	1.0
167.03453	100.0
168.03796	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	168.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89775	0.4
57.03329	0.4
58.02866	100.0
59.03195	1.8
69.03356	0.4
70.02866	0.7
70.42464	1.5
82.95330	0.6
97.02875	0.4
98.20594	0.5
109.02426	0.6
112.01164	0.4
124.45670	0.3
125.02428	3.3
125.06042	0.8
125.09689	1.1
132.86723	0.5
152.01041	0.6
153.01445	1.9
153.99081	0.9
166.47763	0.3
168.03831	6.7
168.10278	0.6
168.13872	10.6
169.01350	1.8
169.03964	1.0
169.08624	0.5
169.12337	0.5
169.14235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1231
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
50.44437	0.3
51.80080	0.3
51.80361	0.3
58.92127	0.4
59.00229	0.4
59.01270	1.7
69.03336	0.5
69.86892	0.4
70.96056	0.5
70.96410	0.8
73.99621	0.4
84.35978	0.3
97.02886	0.5
97.06519	0.4
110.02380	0.5
111.37321	0.3
118.03416	0.4
125.02391	2.1
125.05987	0.5
125.09653	1.0
125.99516	0.6
141.01845	0.4
142.04045	1.2
169.01390	1.3
169.03941	1.6
169.05113	1.2
169.12305	100.0
170.04610	0.4
170.12654	9.7
172.17194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0349
Annotation	SCHEMBL7262480
Peak:m/z	Relative Intensity
59.01263	7.9
60.94413	2.6
64.01800	7.8
65.01323	3.1
65.99737	14.4
66.03373	7.3
67.01783	3.1
68.01291	3.0
71.01268	5.4
71.51956	4.8
72.99203	5.0
75.00769	6.9
80.01266	2.2
80.04958	38.1
81.03353	3.1
87.00776	16.0
89.02351	2.7
92.04984	14.5
93.02772	3.7
93.03364	69.9
94.02898	9.4
94.03709	3.0
95.01321	6.2
97.02854	4.7
99.00764	5.7
101.02377	4.4
102.03403	3.1
105.01841	15.1
106.02892	3.5
108.02086	2.6
108.04483	2.4
109.02867	38.6
118.02917	15.0
119.04933	3.9
120.04463	17.0
120.05316	9.3
121.02879	65.0
121.06540	3.7
122.02374	4.4
122.03556	5.6
123.00822	11.5
123.01760	2.1
124.01598	24.6
133.52307	2.1
134.02414	17.8
134.03365	3.4
135.04437	3.6
136.02942	10.7
136.03983	33.0
136.04997	3.9
137.02386	100.0
137.03387	4.0
138.02800	3.5
146.02422	25.6
147.02951	3.8
147.04446	11.6
149.00995	3.7
150.03192	11.6
152.45122	2.4
162.96178	2.5
164.00955	4.8
164.02374	19.6
164.03484	82.3
164.04549	4.3
164.07112	5.2
164.08298	4.3
165.01863	20.4
165.03975	16.8
165.05501	16.0
165.07724	4.1
165.09114	5.5
175.47127	2.1
182.46304	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	165.0401
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
54.08939	0.4
55.01757	0.8
56.13312	0.5
57.03335	0.8
57.90776	0.4
59.01266	7.8
68.99715	0.5
70.06885	2.2
71.01270	6.8
72.99207	5.2
73.02838	3.3
75.00767	39.1
76.01112	0.7
79.04132	0.5
81.95290	0.5
83.01284	0.6
85.02840	1.4
87.00775	100.0
88.01112	3.2
89.02349	3.5
93.03363	1.3
98.20170	1.0
99.00779	11.5
101.02348	5.1
105.01845	84.5
106.02187	2.2
117.01840	3.3
119.03442	0.9
121.02867	2.2
122.02401	2.1
129.01891	4.4
132.20990	0.5
135.02911	3.0
135.04449	0.5
147.02939	11.2
151.00294	0.6
165.04002	83.5
166.01549	0.6
166.04344	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	160.0399
Annotation	Jineol
Peak:m/z	Relative Intensity
53.82862	0.7
55.01761	1.9
57.03342	6.5
58.00480	1.4
59.01267	31.6
65.01337	4.8
65.99737	88.3
67.00059	2.2
69.03342	3.1
70.87772	1.6
71.01273	24.7
71.04927	1.0
72.99194	5.2
73.02839	17.1
75.00741	1.2
81.03358	6.0
83.01286	9.6
84.02084	0.9
85.02846	44.3
87.00775	3.3
88.03922	1.4
89.02348	10.2
90.00884	1.0
91.02921	2.7
92.02491	1.7
93.03361	61.9
94.03687	3.1
95.01295	2.5
97.02869	4.1
99.00764	1.5
99.04376	1.5
101.02350	5.2
105.02067	0.7
105.36127	0.7
106.04012	1.8
107.02438	1.3
108.02097	5.5
113.02364	4.9
117.03374	2.5
118.02914	2.0
118.03973	0.8
119.02403	1.5
120.00858	1.2
120.01967	1.6
120.04272	0.6
121.02732	2.0
125.02342	1.0
129.01945	0.8
131.03461	24.2
132.03125	0.8
132.04538	0.8
132.05582	1.0
133.01624	2.0
133.02907	1.2
133.04007	2.7
133.05103	2.2
134.02534	1.6
134.03525	6.1
139.06810	0.7
139.60780	0.7
143.03459	1.1
159.03030	0.9
160.03993	100.0
160.89149	0.9
161.01111	3.4
161.02370	4.7
161.04486	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	161.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.9
57.03084	1.0
57.03342	14.5
58.00473	3.0
59.01266	68.3
60.01588	2.1
64.01817	1.9
65.00198	1.6
65.01337	7.9
65.99735	8.9
66.00864	1.3
66.08499	0.8
67.01772	2.4
68.01297	1.0
68.99706	2.3
69.03346	6.9
69.91740	4.2
71.01273	56.5
72.01605	1.4
72.99199	11.1
73.02837	42.0
74.03169	1.5
75.00775	4.7
76.01836	1.6
77.01309	1.0
81.03353	16.2
83.01280	23.3
84.01624	1.1
84.02070	2.4
85.02847	100.0
86.03173	3.8
87.00776	9.6
87.04387	0.9
89.02335	24.1
90.00856	0.9
91.02923	3.6
92.01321	3.3
92.02437	2.0
93.00842	2.6
95.01295	5.5
97.02851	8.8
99.00781	3.5
99.04395	4.3
101.02348	11.7
103.03916	1.1
104.01355	1.7
105.02085	4.2
106.04030	2.3
107.01294	6.2
107.02406	1.6
108.02027	1.5
113.02364	13.1
115.03928	2.2
117.02129	4.2
117.03403	1.4
118.02949	2.0
118.03996	1.7
119.02428	2.1
119.03611	1.0
120.00835	16.2
120.01821	1.8
120.05616	1.5
121.02747	3.7
122.02386	5.6
123.00822	7.6
125.02376	10.8
129.01920	1.2
131.03438	49.0
132.03793	3.2
132.05621	0.9
133.00638	0.6
133.01622	18.0
133.02701	1.3
133.05083	1.9
134.00005	2.2
134.02400	7.1
134.03535	17.0
135.00821	29.9
135.01860	2.1
137.06377	0.7
143.03484	2.5
148.28860	0.8
151.00261	1.4
151.05444	0.8
159.02893	1.1
161.00125	1.0
161.01163	38.1
161.02376	6.0
161.04529	52.7
161.08177	1.9
162.01918	42.5
162.03055	3.1
162.04916	3.0
162.06616	1.5
174.41129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00460	1.9
55.01767	5.1
55.04880	1.6
57.03337	15.4
58.00482	5.5
59.01268	72.7
64.01810	2.4
65.01334	9.5
65.99744	19.7
68.01306	2.0
68.99714	2.3
69.03340	6.0
69.53026	13.8
71.01274	53.8
72.99209	11.0
73.02836	47.5
75.00767	2.4
76.01801	3.7
81.03357	19.0
81.43212	1.6
82.03754	1.7
83.01280	21.5
85.02849	97.4
86.03178	3.7
87.00785	8.6
87.04424	2.0
89.02327	23.5
91.02935	5.2
92.01329	6.7
92.02461	2.9
95.01285	9.5
97.02867	8.3
98.02312	1.9
99.00775	2.3
99.04438	4.4
101.02337	9.3
104.01337	4.0
105.02113	9.9
106.03951	1.7
107.01299	11.7
113.02357	15.3
116.02445	1.8
117.02104	14.4
119.02419	2.2
119.06001	1.8
120.00845	41.2
120.01811	2.5
121.02739	4.3
122.02403	11.8
123.00815	11.2
125.02371	14.2
131.03439	52.0
133.01627	50.0
133.02693	3.6
133.04999	2.2
134.00060	6.5
134.02394	6.5
134.03543	22.7
135.00819	47.7
135.01852	2.6
141.98953	2.1
143.03441	2.3
160.89243	2.9
161.01143	100.0
161.02330	6.3
161.04527	52.2
161.05836	3.6
161.08258	2.0
162.01926	61.9
162.03070	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	162.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00542	0.4
59.01254	2.2
60.01594	0.5
64.01813	6.2
65.00210	1.0
65.99734	1.7
66.03384	0.9
67.01778	0.9
67.56305	0.4
70.54126	1.7
70.86331	0.6
71.01269	1.3
72.01625	0.7
72.99163	0.5
74.03167	0.5
81.03351	1.0
84.01599	0.6
85.02871	1.0
86.03177	1.6
90.03392	9.1
91.01793	1.7
92.01286	1.2
93.03345	0.7
95.01292	1.3
106.02930	2.4
107.01289	2.3
107.11771	0.4
110.43742	0.4
110.65327	0.4
118.02883	1.4
119.04943	5.8
123.00812	2.5
125.02363	1.8
134.02408	63.2
135.00819	13.9
135.01872	0.9
135.02771	4.1
135.04390	0.5
136.01167	0.8
139.75386	0.4
140.21939	0.5
162.01915	100.0
163.00244	1.3
163.02274	7.4
163.03915	1.6
163.06160	0.6
169.22916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81896	0.9
57.06303	0.9
59.01282	5.8
60.01606	1.0
65.01327	3.2
65.99740	3.8
66.30737	0.9
67.01772	2.2
68.99704	1.9
69.47253	8.1
71.01277	3.4
71.35295	1.2
72.01585	1.3
72.99141	1.2
77.59962	1.0
81.03347	7.4
82.03990	3.0
83.99989	0.8
85.02855	1.9
85.56857	1.0
86.03191	2.6
91.01804	1.7
91.02907	1.5
93.03365	1.6
95.01286	3.3
107.01301	11.5
107.02402	1.1
118.02927	8.6
119.04946	15.4
121.04020	2.9
121.05116	7.3
123.00808	12.7
124.01224	1.3
125.02364	10.3
132.03766	1.6
134.02409	2.9
134.03583	3.0
135.00818	76.0
135.05519	1.5
136.01164	4.7
136.04045	1.8
136.05115	4.0
144.00282	1.1
151.00313	1.8
160.53310	1.0
162.01924	100.0
163.00345	6.2
163.02280	9.4
163.03935	4.6
163.06190	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	162.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
58.00474	2.3
59.01266	36.7
60.01596	1.8
60.96433	1.0
67.01780	2.9
69.03394	1.4
69.28548	1.2
69.46638	9.6
71.01275	8.2
72.01600	1.8
72.99191	3.3
73.02831	7.8
74.03164	1.3
75.00760	2.9
81.03342	8.4
83.01284	2.4
85.02840	4.6
86.03178	4.5
87.00777	2.2
89.02348	3.9
90.03380	1.7
91.01775	2.0
93.00058	1.1
93.03349	2.8
95.01283	3.7
99.00759	1.9
100.04768	1.5
100.84647	1.0
101.02346	4.9
102.02656	1.1
102.98530	2.4
103.00275	43.7
107.01291	13.8
118.02896	3.4
119.03450	2.8
119.04951	39.0
119.05590	0.8
123.00796	13.4
125.02355	12.7
126.02734	1.1
129.50150	1.1
132.03741	2.9
134.02414	8.0
135.00809	68.6
135.04475	2.1
136.01176	4.7
145.01361	2.0
151.00348	2.9
162.01917	100.0
162.04831	4.3
162.90361	1.3
163.00380	6.6
163.02339	10.0
163.03944	7.9
163.06061	5.9
163.07379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0188
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
55.01761	1.2
63.97495	0.9
65.00237	0.9
65.03853	4.8
66.52049	0.9
67.01773	3.0
68.02099	1.0
68.99709	4.8
69.03358	5.8
69.50367	0.9
69.50700	7.6
78.09908	0.8
79.01797	1.0
81.03354	11.2
82.02881	1.6
83.01274	4.8
85.00393	0.9
95.01295	5.9
97.02853	7.9
98.20543	2.1
107.01291	6.3
108.02084	5.1
109.02871	98.2
110.00002	5.2
110.03176	5.6
111.00802	2.3
123.00800	2.7
124.01592	10.6
124.03884	1.0
125.02377	68.2
126.02719	4.1
136.01578	2.5
137.99506	6.9
139.33153	0.9
151.00314	15.9
151.11234	1.0
152.00949	0.9
153.01888	100.0
153.12762	4.7
154.02209	7.4
154.05072	1.2
169.01408	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9981
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
50.29483	1.0
55.01773	100.0
56.02102	4.1
59.01263	1.6
61.83720	0.9
65.00190	1.7
66.78204	1.0
67.01776	4.2
68.02427	28.8
71.01275	17.0
72.99232	1.0
78.95840	1.0
83.01280	60.6
83.04939	1.3
84.00832	1.1
84.01638	2.9
84.04506	1.0
93.03363	3.8
95.01276	1.7
99.00809	2.3
109.02852	1.4
111.00782	9.4
111.04439	4.4
112.98663	1.4
114.05525	34.1
116.63391	0.9
120.30941	1.0
123.00822	1.4
127.00310	16.5
128.00656	1.2
137.02380	1.6
139.97473	1.1
140.01129	6.5
146.09044	1.0
154.99814	89.1
155.03481	2.8
156.00156	6.0
156.04115	4.0
156.06595	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	158.9387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86119	0.3
51.30830	0.3
55.01761	0.8
57.03348	1.5
59.01268	8.7
61.98717	2.4
62.27070	0.3
64.01790	0.3
65.01332	1.7
65.99732	0.5
66.22025	0.3
68.99704	0.7
69.03364	0.7
71.00737	0.5
71.01273	3.7
72.99191	0.7
73.02842	3.3
74.02387	0.4
75.00759	0.7
79.95633	0.7
83.01284	0.7
84.04480	0.4
84.93769	0.5
85.02868	1.6
86.95338	2.6
87.00782	2.2
87.05548	0.5
87.95387	0.4
88.03941	0.9
90.00897	0.6
91.02916	1.7
95.04920	0.5
96.95925	0.7
97.02857	1.1
97.06508	1.7
99.00774	3.0
99.92490	34.0
100.92499	3.6
101.02346	2.1
106.04018	1.2
111.00793	1.8
113.02373	1.2
113.09625	0.4
114.91969	1.2
114.94849	25.5
115.07575	0.6
115.92004	1.1
115.94846	2.0
116.02609	0.3
116.05012	0.5
116.92780	100.0
117.01927	0.3
117.92792	10.3
118.04012	1.5
119.04865	0.6
129.01823	2.0
132.05614	3.1
133.04010	1.0
133.05136	1.2
141.01926	0.4
144.04434	0.3
158.89294	0.6
158.93871	13.4
159.02965	4.5
159.06671	3.2
159.10278	1.2
159.89296	1.7
159.93916	1.6
160.05061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.045
Annotation	beta-l-xylopyranose
Peak:m/z	Relative Intensity
59.01264	18.3
69.03333	4.0
71.01274	35.0
71.38154	1.9
72.99194	9.9
73.02836	23.8
75.00765	60.2
85.02856	2.3
87.00777	12.5
88.01138	1.2
89.02342	100.0
90.02666	3.3
91.39998	1.1
102.65430	1.3
103.03906	9.2
121.02881	2.5
124.09926	1.4
131.03433	14.0
149.02527	2.5
149.04512	63.4
150.04831	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	149.0603
Annotation	hydrocinnamic acid
Peak:m/z	Relative Intensity
53.02506	0.2
58.40244	0.2
59.01263	0.9
64.01809	0.3
65.01337	1.9
65.99735	1.5
67.02895	1.6
70.51328	0.9
71.01261	1.3
72.99191	0.2
73.02821	0.4
75.00763	0.3
79.02888	0.5
81.03329	0.3
81.04477	1.0
82.02864	0.3
83.02406	0.6
87.00780	0.4
89.02344	2.4
91.02917	0.7
92.02457	0.3
93.03362	1.6
94.02882	0.3
94.99201	1.0
95.01292	0.4
95.02415	0.6
95.04886	0.4
98.22231	0.2
103.05422	0.4
104.97633	0.4
106.04044	2.9
107.02413	0.7
107.03616	0.3
107.04322	0.3
107.04980	0.4
107.50658	0.2
108.02061	2.6
108.02743	0.4
108.04440	0.6
108.05593	1.4
109.03976	1.5
114.95995	0.2
119.04969	0.7
120.01958	0.3
120.05595	0.4
121.02877	5.8
121.05114	0.6
121.06535	0.5
122.02411	0.6
122.03664	5.2
123.01107	0.2
123.01924	1.4
123.04454	0.5
123.05614	0.2
124.01619	0.7
129.03304	0.3
130.03239	0.2
130.04182	0.7
131.03482	0.6
131.04970	1.3
132.05588	0.2
134.03636	0.7
137.02383	1.0
139.03975	0.4
147.04468	4.8
148.05252	8.8
148.96626	0.4
149.02495	3.3
149.06026	100.0
150.00124	1.6
150.01897	0.4
150.03021	1.4
150.06413	9.9
154.02637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02291	1.6
58.02832	0.9
58.91486	0.7
59.01255	2.8
63.02282	2.2
64.01801	0.8
65.00208	1.1
65.01327	2.5
65.34747	0.8
65.99742	4.5
66.03375	1.9
67.01781	18.6
67.02905	4.2
67.03210	0.7
68.01305	2.7
68.99712	5.0
69.03345	10.6
71.01262	6.3
71.39863	1.1
71.40189	1.1
72.04440	7.3
79.01785	7.1
80.02562	1.8
80.04958	0.9
80.96364	0.8
81.03349	9.6
81.04477	1.9
82.02901	2.4
83.01289	6.7
83.02376	1.4
85.02837	3.4
85.03959	1.2
89.02345	0.9
91.01780	1.4
91.02958	1.5
95.01289	100.0
95.04961	0.9
96.01614	4.6
96.36343	0.9
96.99219	0.8
97.02859	5.3
97.03938	1.0
97.99986	0.9
101.02366	1.7
106.04028	3.6
107.01299	70.3
107.04927	2.8
108.02130	17.4
108.04459	1.8
109.02867	2.1
109.03996	5.7
109.99091	2.3
110.02384	3.3
110.03496	2.1
111.00796	34.4
111.01912	1.6
113.02358	1.0
116.39204	0.7
121.04047	0.9
122.03635	3.9
123.00809	75.5
123.04424	7.9
124.01616	29.3
124.03947	1.4
124.04983	1.1
125.02387	27.4
125.03449	3.7
126.02710	1.9
134.03522	6.5
136.01598	60.5
136.98756	1.0
137.01932	3.9
139.00291	9.6
141.01904	1.9
151.00333	37.1
151.02882	1.1
151.03966	22.5
151.05028	1.3
151.06070	1.6
151.07506	1.2
152.00053	1.5
152.01207	8.5
152.03471	6.0
152.04564	3.8
169.01414	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	146.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24842	0.5
56.14767	0.5
58.75141	0.6
59.01257	1.1
64.01798	1.4
65.00210	1.3
70.85281	1.2
71.01258	1.8
72.99207	0.7
74.13683	0.6
76.01816	17.9
77.02145	0.7
90.03366	1.4
92.01298	0.6
98.19908	0.7
99.00793	1.2
118.02906	100.0
119.01315	2.4
119.03244	8.2
132.90926	0.6
140.14897	0.6
146.02423	56.4
147.02995	5.9
147.04355	1.3
157.18886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0455
Annotation	Glutamate
Peak:m/z	Relative Intensity
54.47348	0.8
55.01770	1.2
57.03342	11.1
59.01268	24.1
68.99712	1.6
69.63251	6.1
70.02867	1.4
70.47509	1.0
71.01276	28.4
72.99210	4.9
73.02836	1.4
74.02370	7.9
75.00768	6.7
76.01823	3.3
83.01292	2.2
84.04451	2.6
85.02847	20.9
87.00778	19.8
89.02352	2.9
98.02393	2.5
99.00792	15.2
101.02348	6.0
102.05520	100.0
103.03914	4.3
103.05856	4.9
116.03462	1.6
117.01882	1.3
118.02912	19.3
119.03288	1.4
128.03467	41.2
128.05444	1.7
129.01871	15.3
129.03812	4.0
146.02461	16.4
146.04529	22.3
147.01892	1.5
147.02943	12.1
147.04573	2.0
147.06564	1.5
164.58908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0295
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
55.01794	4.7
56.59159	5.1
57.03334	9.3
58.00459	7.9
58.99495	9.5
59.01264	87.2
68.99695	6.1
69.91261	13.4
69.91689	15.0
71.01269	100.0
72.99213	30.9
73.02863	5.1
74.02357	5.3
75.00778	30.2
75.35413	4.9
85.02847	27.1
87.00761	17.6
89.02362	10.2
90.18770	4.5
98.20496	7.9
99.00788	41.1
101.02351	11.2
102.05524	7.4
103.05853	29.8
111.00781	6.0
120.01921	5.8
120.04453	5.2
129.01807	15.5
129.03816	10.9
147.01865	8.7
147.02924	30.5
147.04478	20.9
147.06512	8.3
148.04997	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	149.045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01786	6.8
59.01268	49.5
60.41692	6.1
62.86281	6.4
65.01336	39.2
65.99740	40.4
67.02914	30.2
70.11435	32.5
71.01271	36.6
72.99210	7.1
73.02844	13.1
74.85957	6.1
75.00788	8.0
78.03390	7.0
79.02927	6.9
81.04482	20.9
82.02867	10.0
82.04014	7.9
83.02420	8.0
87.16877	7.0
89.02321	50.5
90.82951	5.9
91.02933	17.1
92.02447	10.9
93.03358	13.3
94.02892	7.6
94.92263	6.9
95.01320	5.5
95.02419	14.2
95.04899	6.4
104.38268	5.7
106.04022	57.5
107.02414	18.5
107.03606	11.0
108.01986	11.1
108.05591	14.0
109.03992	22.2
116.93340	8.7
119.02470	7.1
120.01955	7.6
120.05614	9.1
121.02890	100.0
121.05086	7.0
122.02409	14.4
122.03484	29.4
123.01930	23.9
123.05581	11.3
128.70309	7.3
131.03481	9.8
142.77672	6.8
146.91380	6.5
149.02405	69.7
149.03506	20.5
149.04587	50.7
149.05986	20.9
149.56306	6.7
150.00133	24.0
150.03015	41.2
150.05605	16.2
150.06674	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.7
62.05556	1.1
64.01823	2.2
65.00183	1.5
65.99731	1.2
69.76463	7.7
71.01288	1.9
76.01818	15.2
85.02846	3.1
102.05521	5.2
118.02906	100.0
119.01321	2.8
119.03237	7.5
126.19690	1.1
128.03484	1.8
146.02422	49.1
147.02913	5.5
147.06551	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	146.0243
Annotation	Isatin
Peak:m/z	Relative Intensity
56.92947	0.4
64.01804	0.9
65.00207	1.0
65.99711	0.7
70.53494	1.3
71.01243	0.4
76.01404	0.8
76.01823	14.6
77.02151	0.9
90.03374	0.8
92.01333	0.6
118.02907	100.0
119.01304	2.1
119.02459	0.5
119.03247	7.6
135.73271	0.3
142.56863	0.3
146.02423	54.4
147.02745	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	146.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32181	1.3
53.55044	1.1
56.68195	1.1
64.01803	1.3
67.69748	1.0
71.01264	2.2
71.02122	1.3
71.02425	1.4
71.58608	1.1
76.01818	9.8
77.40839	1.1
99.00814	1.4
118.02906	100.0
119.01307	2.4
119.03256	5.3
146.02417	61.9
147.02859	4.5
150.68546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0242
Annotation	Indole-5,6-quinone
Peak:m/z	Relative Intensity
59.01288	0.6
64.01796	0.8
65.00210	0.7
65.99715	0.6
69.71137	3.1
71.01299	0.6
76.01820	13.2
81.08015	0.5
90.03388	1.8
92.01292	0.7
118.02906	100.0
119.01340	2.1
119.03234	5.7
137.43141	0.5
146.02420	53.5
147.02734	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	137.0238
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03855	0.9
71.61395	0.4
77.48223	0.3
81.03353	3.2
91.01790	1.1
93.03364	13.4
94.03700	0.9
95.31252	0.3
106.10056	0.3
108.02078	5.4
109.02892	5.0
110.03236	0.4
118.71318	0.3
119.01273	1.4
126.86944	0.3
135.00844	0.3
136.00546	0.3
136.01599	9.8
137.02382	100.0
138.01735	0.5
138.02733	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	142.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00209	14.7
55.01769	6.8
59.01271	18.3
59.31233	4.9
68.99709	9.2
69.03339	15.3
71.01275	100.0
71.04922	7.8
71.51653	8.1
71.52071	9.9
72.99199	8.4
73.02820	11.5
73.98606	6.4
81.03342	14.6
82.02874	22.1
83.01290	8.0
85.02834	54.0
85.03194	4.9
87.00782	25.0
96.99247	23.4
97.02866	17.2
97.63931	7.1
99.00763	8.4
99.04415	9.3
101.02383	7.4
112.98745	20.2
113.02369	11.7
115.00298	6.8
121.73560	5.8
124.98745	60.9
125.02363	20.5
128.75696	7.3
140.98285	8.2
142.99812	87.5
143.02472	7.9
143.03494	39.6
143.07059	12.6
143.10722	41.0
144.03001	14.3
144.04466	26.8
144.06575	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	142.9981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00195	13.3
54.32540	3.0
55.60575	3.4
57.03351	5.3
58.71202	4.0
59.01255	19.4
68.99715	7.2
69.03349	12.0
71.01274	100.0
71.04902	9.9
71.52838	6.4
72.99198	8.9
73.02853	5.6
80.99750	3.6
81.03349	9.6
82.02885	22.0
83.01273	8.2
85.02838	37.6
87.00769	31.8
96.99220	20.8
97.02849	16.1
97.06451	5.0
98.20072	4.3
99.00795	9.3
99.04436	9.6
99.08060	5.8
100.07552	6.4
101.02329	4.1
102.05519	10.1
102.56119	3.7
111.00742	4.0
112.98759	18.9
113.02359	7.0
115.00297	5.5
115.03955	4.7
116.02404	4.5
124.98745	57.7
125.02392	18.0
126.01890	4.9
127.73392	3.7
140.98238	8.4
142.99802	92.3
143.03482	27.0
143.07082	18.2
143.10728	18.1
144.00108	5.7
144.02994	10.3
144.04494	27.1
144.06532	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	143.0709
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.01786	1.1
57.03323	2.2
59.01263	2.5
65.01338	6.1
65.99729	2.0
69.03343	3.6
70.48277	3.3
71.01277	13.5
71.04924	1.7
72.01604	1.2
72.99203	51.5
73.99539	1.5
81.03363	1.9
83.04922	1.3
85.02850	8.1
85.03954	1.7
86.02383	1.3
87.00771	2.7
87.04457	1.1
89.01348	7.8
90.00899	4.3
97.02873	1.1
97.06501	47.2
98.06824	1.9
99.00827	1.2
99.04433	1.8
99.08049	2.8
102.05481	1.1
103.02898	1.3
111.39951	1.0
116.02472	23.2
116.03242	1.5
117.00873	2.1
117.02006	1.9
117.03308	3.2
117.04496	1.2
125.02389	3.1
125.06015	100.0
126.06358	7.8
127.97398	1.5
129.01981	1.7
129.03229	1.7
132.65814	1.2
142.04048	2.0
143.02457	2.1
143.03528	26.5
143.04617	2.0
143.07086	31.7
143.10735	6.3
143.72780	1.2
144.02066	7.7
144.03119	2.5
144.04410	24.1
144.05614	10.8
144.06555	1.4
144.07466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0865
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.00246	0.8
59.01254	0.7
60.52364	0.5
64.01804	1.9
65.00214	1.1
65.01353	2.6
65.99754	2.8
70.92731	1.2
72.99216	0.6
76.01818	16.2
76.10579	0.5
77.01335	1.8
79.02844	0.5
79.73186	0.5
81.03365	0.7
81.04464	0.4
83.04921	0.6
84.90389	0.5
90.00871	0.9
90.03412	1.5
91.02898	1.1
92.01340	1.0
97.06498	1.2
99.08064	85.0
100.08379	4.5
102.05491	0.6
103.01670	0.7
105.03265	0.8
105.04508	0.7
116.02469	1.0
118.02913	100.0
118.03989	7.5
119.01323	2.1
119.02436	4.1
119.03228	0.6
119.03587	0.7
119.04370	0.6
127.07576	1.9
131.01216	0.6
143.07072	1.2
144.01976	1.0
145.01498	1.1
145.02762	1.2
145.03986	1.0
145.05099	6.2
145.08656	39.1
146.02429	58.8
146.03479	3.1
146.07167	0.8
146.09001	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	134.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00212	4.1
52.53862	2.8
57.93024	2.7
59.01237	3.7
64.01810	60.3
65.01329	24.8
65.48404	2.3
65.99750	17.4
67.01779	3.1
67.15562	2.4
71.01270	15.4
71.53548	3.8
72.01641	3.2
72.99201	8.0
73.02847	8.4
75.00764	41.8
78.03378	2.5
79.73412	2.6
81.03353	3.7
85.02844	33.7
87.00816	3.3
89.02338	6.1
90.00867	3.6
90.03374	7.6
91.01788	4.5
91.02902	3.8
92.02434	9.1
93.03352	8.8
101.02380	4.6
103.03893	3.1
104.56618	2.7
106.02918	27.1
106.03996	14.5
107.02422	29.1
107.03532	3.7
107.04939	15.1
108.02077	5.7
125.02398	4.0
134.02397	100.0
134.03529	71.1
134.04622	16.1
135.01907	7.3
135.02858	21.7
135.04465	94.1
135.05531	2.3
135.06537	5.5
152.45177	3.1
153.47841	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	135.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55135	1.3
59.01260	12.4
68.45142	1.6
71.01279	5.5
71.52187	2.4
72.99203	12.2
75.00768	100.0
76.01123	2.3
85.02850	1.5
87.00761	2.2
89.02350	6.1
98.20001	1.4
111.17680	1.5
117.01830	3.2
125.11600	1.3
135.02924	33.6
135.04469	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0293
Annotation	Threonate
Peak:m/z	Relative Intensity
57.55135	1.3
59.01260	12.4
68.45142	1.6
71.01279	5.5
71.52187	2.4
72.99203	12.2
75.00768	100.0
76.01123	2.3
85.02850	1.5
87.00761	2.2
89.02350	6.1
98.20001	1.4
111.17680	1.5
117.01830	3.2
125.11600	1.3
135.02924	33.6
135.04469	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	137.0238
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.43275	0.4
55.23245	0.4
57.06425	0.4
65.03825	0.6
68.88177	0.4
70.19321	2.0
81.03367	1.4
91.01791	0.6
93.03365	11.9
94.03709	0.9
105.71056	0.4
108.02054	2.7
109.02879	2.5
109.52831	0.4
119.01309	0.5
129.78596	0.4
136.01595	5.5
137.02379	100.0
138.02730	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	130.0868
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
51.64382	1.4
53.33937	1.4
57.03343	9.6
58.00462	1.7
58.02860	2.3
59.01263	10.3
65.01337	5.5
69.03342	6.0
69.79459	8.9
71.01277	37.6
72.99203	2.8
73.02843	44.5
75.00763	5.1
85.02847	31.3
85.06502	4.6
85.46216	1.5
87.00763	2.8
87.04414	28.2
88.03948	10.5
89.01353	2.7
98.19931	1.9
99.00824	2.0
101.02361	5.1
103.01678	1.8
112.03986	1.7
113.02367	6.6
125.50849	1.5
130.04051	26.8
130.04997	3.1
130.08673	100.0
131.03558	48.2
131.07011	3.8
131.08147	1.9
131.09023	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	131.037
Annotation	Pteridine
Peak:m/z	Relative Intensity
57.03329	4.8
58.49193	1.3
59.01261	4.4
65.01330	1.9
65.99757	1.6
69.36947	1.2
69.74809	6.4
69.85689	1.2
71.01279	8.8
73.02833	21.1
80.95201	1.2
82.28409	1.4
85.02839	16.8
87.04420	6.7
89.01359	2.9
103.46730	1.3
131.03679	100.0
132.01985	1.4
132.04022	9.1
138.57027	1.5
145.30606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0137
Annotation	(R)-Malate
Peak:m/z	Relative Intensity
54.43884	0.9
54.89732	0.9
59.01254	1.6
63.26988	0.9
70.71976	1.0
70.72345	2.5
71.01277	64.3
72.01600	1.9
72.98821	1.6
72.99203	15.1
87.00748	1.5
88.50892	1.0
89.00121	0.8
89.02351	9.7
101.14969	1.0
112.16180	0.9
115.00293	100.0
116.00627	4.4
116.78001	0.9
133.01367	25.0
134.01689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09645	2.4
59.01276	3.1
70.08386	14.6
71.01270	77.3
72.01601	2.9
72.99197	20.5
81.90831	3.1
87.00786	5.0
89.02339	7.2
103.05781	2.9
115.00293	100.0
116.00640	4.5
130.96756	3.1
133.01358	29.6
133.04971	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	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06768	0.6
56.38365	0.5
59.01255	1.3
70.85056	1.2
70.85393	0.8
71.01270	63.5
71.34305	0.5
72.01614	1.7
72.99200	15.1
87.00770	2.0
89.02339	9.7
90.02693	0.6
101.22013	0.5
108.22168	0.5
115.00288	100.0
116.00615	3.9
118.32033	0.5
132.02777	0.7
133.01358	24.6
133.04999	2.0
134.01697	1.3
148.64537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0187
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
55.01771	14.6
57.03330	25.8
59.01266	16.9
65.03505	7.1
67.01779	65.3
68.99689	23.5
70.43496	27.4
70.88790	7.6
71.01276	34.6
72.99197	15.4
73.02830	26.9
79.89199	6.1
83.01307	13.7
85.02853	66.6
87.00777	11.1
88.03934	12.3
90.31163	7.8
99.00772	8.6
101.02339	17.9
111.00785	9.6
113.99495	8.6
129.01860	100.0
129.03795	22.8
130.04056	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	127.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98293	1.8
55.01776	6.3
57.03335	3.8
58.02862	14.0
59.01254	7.2
65.99736	2.0
66.03378	5.1
67.00080	1.7
68.01315	3.8
69.76078	10.5
70.72957	2.4
71.01279	15.5
71.04938	1.8
72.00816	2.1
72.74603	1.8
81.03357	6.7
82.02892	4.7
83.01275	11.2
83.04926	16.5
84.02039	1.6
84.04447	3.3
85.02853	28.6
85.03975	55.0
86.02382	14.0
95.01294	3.1
98.02340	1.5
98.19887	2.5
98.44814	1.6
99.00785	15.1
99.04430	5.9
100.03960	4.0
109.02857	5.5
110.02393	6.7
110.90782	2.6
111.93357	1.5
124.98750	1.9
126.90337	44.3
126.99519	3.2
127.00304	55.3
127.01318	1.9
127.02969	3.8
127.03941	27.7
127.05064	8.5
127.07573	28.9
128.00659	2.3
128.03467	100.0
128.07091	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	115.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58701	3.7
56.73859	3.0
58.74244	3.1
59.01253	5.1
69.57368	21.7
71.00890	6.3
71.01273	100.0
71.04871	4.2
87.00817	3.8
94.31259	3.6
95.58234	3.9
115.00273	15.4
115.03929	6.5
115.05860	17.0
115.26065	3.6
116.02454	4.7
116.07092	19.3
118.73396	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	118.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00241	1.1
50.02527	0.6
53.89745	0.6
59.01276	4.1
64.01815	8.0
65.00217	8.0
65.01339	1.3
65.99734	2.2
71.00298	1.2
71.01266	5.0
72.00832	0.6
72.99205	1.0
73.02851	2.2
74.03172	2.7
76.01820	4.4
77.01326	0.9
90.03396	4.0
91.01833	0.9
91.02937	3.2
92.01331	2.4
104.41344	0.6
117.92810	1.2
118.02912	100.0
119.01301	2.4
119.02431	4.3
119.03293	6.8
119.04934	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	121.0288
Annotation	Benzoic acid
Peak:m/z	Relative Intensity
51.01196	0.1
57.53634	0.1
65.03830	0.2
70.57418	0.2
70.90710	0.3
70.91048	0.3
91.01796	0.9
92.02580	0.4
93.03364	1.9
93.17634	0.2
95.00791	0.1
95.01301	0.8
108.02085	2.7
109.02388	0.2
120.02078	0.3
121.02876	100.0
122.03214	6.4
127.44555	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	125.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27455	0.5
55.01762	1.5
57.03328	0.5
59.47032	0.5
63.84079	0.5
65.01333	2.1
65.99737	10.1
67.01778	1.2
67.02887	2.8
68.01308	1.0
68.99709	1.5
69.03345	15.6
69.18429	6.1
71.01274	0.6
71.96834	0.5
79.01808	1.3
81.03361	3.9
81.04482	1.1
82.02882	2.6
83.01280	2.3
83.02409	8.7
83.03188	0.7
84.00806	0.5
95.01289	1.9
95.02399	0.7
96.99213	4.5
97.01817	0.6
97.02855	13.6
97.03940	0.7
97.06512	1.2
98.02389	1.9
98.19753	1.1
107.01318	1.0
113.14454	0.6
123.00764	1.0
124.01626	0.9
124.45358	0.6
124.98769	2.6
125.02377	100.0
125.03387	3.7
125.06023	7.0
125.89984	0.6
126.01873	2.9
126.02834	6.9
126.05523	2.3
126.06351	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	12.9
67.01788	43.2
70.93085	5.8
75.07577	3.2
76.13555	3.2
78.95793	59.6
79.95649	4.4
83.01282	46.2
85.46820	2.9
110.97495	20.6
111.00795	100.0
111.04453	5.4
112.01125	8.0
112.03957	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	111.008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01064	1.3
53.28264	1.5
55.01767	6.7
67.01777	20.1
71.01266	3.2
71.21912	2.8
78.95797	100.0
79.95631	3.1
83.01273	26.4
83.04906	1.5
84.01636	1.5
84.53386	1.1
86.47256	1.2
87.92897	1.3
98.20031	1.3
110.97485	14.7
110.98434	4.1
111.00789	69.3
111.01946	4.1
111.04412	4.1
112.00351	2.4
112.01119	3.6
112.03922	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	114.0553
Annotation	L-Proline
Peak:m/z	Relative Intensity
59.01273	0.6
59.97132	0.2
66.03379	2.7
70.02891	0.1
70.73421	0.4
70.73790	0.3
71.01273	7.3
71.04906	0.5
72.00796	0.2
73.02842	0.1
73.03963	1.4
73.69237	0.2
86.02380	1.4
86.03126	0.2
87.00783	0.5
98.19852	0.2
112.03939	0.8
114.05527	100.0
115.00298	1.0
115.03986	0.4
115.05164	0.2
115.05862	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	114.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.3
66.03384	2.5
69.29852	3.6
71.01276	4.6
71.04919	1.5
73.03963	1.3
82.15173	0.3
86.02363	1.3
86.03165	0.4
87.00784	0.6
106.94324	0.3
110.80003	0.3
111.77905	0.4
112.03956	0.5
114.05527	100.0
114.93328	0.5
115.00304	1.0
115.03905	1.1
115.05103	0.5
115.05864	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	109.0288
Annotation	Pyrocatechol
Peak:m/z	Relative Intensity
55.07423	0.3
65.03903	0.3
70.98206	0.8
79.56857	0.3
81.03353	1.8
91.01794	1.4
108.02090	8.2
109.02870	100.0
110.03204	5.6
112.12122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01278	0.3
85.02853	0.3
89.02335	0.1
91.01803	0.1
91.26997	0.1
95.01287	0.1
99.00758	0.2
101.44440	0.1
105.62750	0.1
107.01298	0.8
108.02081	0.7
109.02848	0.1
113.02356	0.5
115.00252	0.1
121.02892	0.3
124.01611	0.2
125.02337	0.1
127.08243	0.1
135.00800	0.4
147.00711	0.1
148.01607	0.7
151.00317	2.7
152.01073	0.2
153.01878	0.2
159.04469	0.1
163.00346	0.7
164.01132	0.3
169.01396	0.2
171.04420	0.1
172.05167	0.1
174.03189	0.1
175.02460	0.2
178.99829	2.0
180.00314	0.1
183.04478	0.1
187.03937	0.3
190.99875	0.1
192.00620	0.2
198.03226	0.2
199.03944	0.6
201.01895	0.2
203.03519	0.4
211.03925	0.3
214.02629	0.1
215.03508	0.7
216.04300	0.3
226.02736	1.1
227.03522	1.7
228.04018	0.1
229.01404	0.1
229.04987	0.1
231.03062	0.2
242.02013	0.1
243.03024	7.3
244.03555	0.6
245.04451	0.1
254.02283	1.6
255.03029	18.1
256.03391	1.3
258.01889	0.1
259.02518	0.8
266.11694	0.1
271.02539	43.3
272.02994	3.3
273.03976	0.2
274.04761	0.1
283.02499	0.1
285.04080	0.2
286.01096	0.1
287.02066	1.4
288.02371	0.2
299.02057	1.9
300.02823	73.3
301.03333	8.1
302.04019	0.2
315.01575	2.8
316.01773	0.2
317.06461	0.1
325.03296	0.1
330.03888	1.9
331.04346	0.2
345.06235	5.5
346.06757	0.4
355.04697	0.2
411.07153	0.1
429.08093	0.2
447.09015	0.2
521.09454	2.0
522.09796	0.2
578.13177	0.1
579.13678	100.0
580.14014	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	1065.6372
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95638	0.1
83.01295	0.1
83.04901	0.1
85.02843	0.3
89.02338	0.3
91.05470	0.1
96.95917	2.2
99.32731	0.1
101.02341	0.5
113.02368	0.3
119.03436	0.3
122.18571	0.1
123.04435	3.6
125.02412	0.1
135.04466	0.1
136.05251	1.0
137.02353	0.6
137.05962	0.5
138.03130	0.2
147.04451	0.4
148.05202	0.3
149.06091	0.5
150.03217	0.1
151.03947	3.2
152.04622	0.1
153.05530	0.2
154.02679	0.2
163.07625	0.4
164.04733	1.1
165.05530	7.8
166.06313	54.5
167.06645	2.1
168.04329	0.1
169.05066	0.1
170.05762	0.3
179.03558	0.1
179.05612	0.1
179.07111	2.2
180.04225	0.6
180.07504	0.2
181.05141	0.1
181.08676	4.5
182.09044	0.2
191.03445	0.2
192.04269	8.3
193.04631	0.4
207.06630	9.2
208.06931	0.5
210.05334	76.6
211.05687	3.3
224.06886	0.4
225.07700	89.5
226.08035	4.1
226.10329	0.2
252.06317	0.1
252.98552	0.1
267.08890	0.5
372.10809	0.1
387.13065	100.0
388.13394	7.0
451.32883	0.1
677.50012	1.1
678.50299	0.3
775.46893	0.2
776.75604	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	108.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00241	7.3
50.75628	0.9
58.02865	11.8
62.89074	0.8
64.01795	1.4
64.45217	0.9
65.01337	36.5
65.99731	10.0
66.01653	2.0
67.00053	0.9
67.02902	100.0
68.01302	5.2
71.21403	2.2
77.27250	0.9
79.02904	5.5
81.03334	1.1
81.04498	1.9
81.99229	1.7
82.02881	27.4
91.01796	1.9
108.02055	17.5
108.04471	3.5
109.00370	2.0
109.02148	1.4
109.02865	33.6
109.03991	39.4
111.00809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00238	2.0
53.88231	0.3
58.02864	4.5
61.54999	0.3
62.01522	0.3
64.01807	0.9
64.09157	0.3
65.01334	10.0
65.03841	0.7
65.99735	6.4
66.01673	0.8
67.02901	35.6
68.01302	2.6
69.03373	0.4
70.70714	1.1
79.02911	3.5
80.00030	0.4
80.01265	0.4
80.02563	0.5
81.03348	3.6
81.04472	1.5
81.99252	0.8
82.02877	7.5
85.02816	0.7
90.00837	0.3
95.01286	0.4
100.27852	0.3
108.02078	100.0
108.04465	1.5
108.72670	0.4
109.00397	0.8
109.02860	21.2
109.03990	14.2
123.00792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.24
Annotation	Unknow
Peak:m/z	Relative Intensity
71.85432	0.1
80.89436	0.1
83.01287	0.2
94.42947	0.1
98.20557	0.2
107.01289	0.4
108.23534	0.1
125.02371	0.3
151.00305	1.5
153.01891	0.3
163.00348	0.2
165.05495	0.1
165.65544	0.1
165.71031	0.1
172.98262	0.1
174.03163	0.1
177.01851	0.3
178.99861	0.5
187.03947	0.2
190.99908	0.2
199.04041	0.2
201.01917	0.2
202.02681	0.5
203.03423	0.2
213.01923	0.6
214.02728	0.2
215.03358	0.3
229.01465	0.3
230.02234	1.8
234.05305	0.3
241.01469	5.1
242.02232	10.2
243.02968	2.9
245.04549	0.2
255.03107	0.1
257.01047	0.7
257.04623	0.3
258.01746	10.7
259.02338	1.6
260.02786	0.1
264.02682	0.1
269.00964	1.7
270.01755	4.8
271.02521	2.6
272.03293	2.2
273.04114	11.9
274.01538	0.3
274.04495	0.8
285.00638	0.3
285.04132	0.4
286.01270	8.4
287.01953	2.5
287.05667	3.3
288.06097	0.3
297.00565	0.1
298.01202	0.4
299.01932	0.8
300.02725	1.0
301.03625	12.9
302.03882	1.0
314.00925	0.7
314.04150	0.3
315.01556	4.6
315.05191	1.8
315.08554	0.2
316.02194	1.4
316.05942	5.1
317.02762	0.3
317.06332	0.4
329.03116	11.7
330.03830	5.1
331.04666	1.3
332.05222	0.2
343.04568	0.4
344.05447	36.9
345.06125	12.7
345.12305	0.2
346.06732	0.9
348.04764	0.1
359.07819	0.3
361.05850	0.2
372.05200	0.2
387.07352	0.6
477.10703	0.7
478.07388	0.3
492.08975	0.8
493.09933	4.1
494.10446	0.4
507.11557	100.0
508.11899	11.1
829.15143	0.1
908.40137	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	969.568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.4
67.49859	0.2
68.10351	0.2
69.07068	2.9
70.06555	0.2
70.68503	0.5
70.68849	0.2
71.08633	11.6
75.04453	0.2
79.05476	0.5
81.07056	5.1
83.04982	0.2
83.08619	4.3
85.06543	0.2
85.10184	7.6
89.06031	1.2
93.07029	0.3
94.72176	0.2
95.08610	7.9
97.10181	2.2
98.98472	3.3
99.11746	0.4
103.07571	1.0
107.08602	0.2
109.09447	0.3
109.10155	3.9
111.11710	0.7
117.09124	0.3
121.10144	0.2
123.11697	1.7
131.10681	0.2
137.13240	0.5
149.13258	0.2
151.14806	0.3
155.01060	1.4
156.31561	0.2
173.02110	0.7
185.24030	0.2
221.22760	0.2
239.23752	1.1
247.05762	0.4
257.24734	1.8
298.27457	0.3
313.27359	100.0
314.27631	1.7
393.24149	0.4
449.26566	2.4
969.47955	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	969.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.8
69.07030	0.4
71.61132	0.6
71.95239	0.7
72.49818	0.4
79.05467	0.8
81.03364	0.4
81.07018	0.9
83.82359	0.4
91.05461	0.7
93.06992	0.9
95.04926	0.5
105.06944	0.5
107.08543	0.7
107.71042	0.4
109.10106	0.6
111.54543	0.4
113.91631	0.4
116.98582	0.5
119.08535	0.7
128.98560	1.3
134.99612	0.9
135.11569	0.4
146.99666	3.0
147.03278	0.5
149.01178	0.8
149.09685	0.4
155.03638	0.5
161.01176	0.5
165.00647	1.0
169.01671	0.4
169.05330	0.4
171.03256	1.3
173.04790	0.9
175.02852	0.4
183.03200	0.5
185.04797	1.0
189.04303	1.4
199.06400	1.1
201.04358	1.1
201.07841	0.5
203.05888	4.3
205.07425	1.7
211.02744	0.6
211.06383	0.9
213.07933	0.7
215.09578	0.5
217.07495	1.2
219.08946	0.7
221.06865	0.6
222.07867	0.4
223.02728	0.8
223.06505	0.7
223.08472	2.4
223.82799	0.5
225.08066	0.7
229.07462	1.2
237.04361	3.9
237.07985	1.2
239.09642	2.2
241.07436	1.0
243.08983	0.6
251.05867	0.8
253.11186	0.4
255.05481	2.2
255.08948	2.1
257.10593	1.7
261.10284	0.6
267.09088	0.8
267.15787	0.4
269.06805	0.6
270.07465	0.5
271.12308	0.5
273.07065	0.4
273.10025	1.2
276.54535	0.5
278.07047	0.5
279.09006	0.6
280.09778	1.1
281.10486	0.7
283.08533	0.6
285.09879	0.6
293.10782	0.5
298.10910	1.3
299.11670	1.2
305.17926	0.7
307.15860	0.8
311.11639	1.0
331.15787	25.8
349.16870	100.0
350.17233	2.4
367.17944	19.7
372.18469	5.6
375.58255	0.4
380.09741	0.5
390.19559	12.2
569.52026	0.4
641.37555	2.3
659.38336	78.7
660.38989	2.9
969.49854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.608
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	0.3
71.62638	0.3
71.63006	0.3
78.95795	27.5
81.10061	0.2
96.96857	2.6
125.02343	0.4
150.97939	0.5
152.99530	38.9
153.99860	0.5
171.00597	11.2
227.03297	2.0
233.17174	0.3
245.04352	53.1
246.04703	1.3
253.21767	19.4
254.22069	1.3
281.24973	0.4
282.25336	0.4
481.25824	100.0
482.26154	8.3
504.10034	0.3
576.16125	0.3
665.72278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
76.57938	0.1
79.95631	7.1
80.96429	0.1
84.40856	0.1
95.95166	0.1
96.95915	100.0
97.95839	0.3
98.19783	0.2
110.34779	0.1
110.97501	0.6
121.02848	0.2
123.04503	0.1
135.04436	0.1
137.02370	0.6
141.95728	0.1
147.04521	0.1
150.03195	0.1
151.03954	0.4
165.05473	0.1
175.96362	0.1
179.07050	0.1
180.07909	0.1
192.07863	0.1
208.07448	0.1
210.48724	0.1
216.98138	0.1
221.92302	0.1
223.09917	0.1
230.35722	0.1
230.99652	0.2
235.09755	0.1
245.01291	0.1
269.08258	1.7
270.08643	0.1
281.08368	0.3
283.09888	0.1
284.03311	0.1
299.09323	1.1
300.10001	0.2
314.11688	1.6
315.12296	0.3
329.13953	0.3
359.15036	0.1
424.08438	0.4
439.10773	63.7
440.11093	5.4
507.78226	0.1
612.65192	0.1
752.20416	0.1
763.14532	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	936.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.5
66.34806	1.0
67.05508	49.7
69.03433	4.5
69.07071	11.9
71.05000	3.7
71.59538	1.7
73.02920	2.6
77.67569	1.0
79.05496	34.2
81.03422	69.1
81.07060	56.8
83.04988	6.3
83.05389	1.1
83.08627	22.1
85.02901	7.6
85.06558	2.9
91.03968	4.7
91.05486	27.5
93.07046	38.8
95.04978	25.6
95.08609	38.7
97.02894	5.2
97.06522	2.6
97.10154	8.3
99.08089	1.9
103.05481	1.2
105.06377	2.0
105.07034	23.7
107.04968	6.5
107.08597	23.6
109.06531	5.6
109.10149	18.8
111.04467	1.5
111.08069	6.1
117.07022	7.6
119.08585	23.7
121.06522	4.0
121.10152	19.0
123.04414	1.9
123.08080	3.1
123.11661	6.9
125.09626	4.8
127.03938	1.7
129.07013	9.5
131.08583	18.0
133.06494	2.6
133.10127	14.9
135.11697	12.3
137.09608	4.2
137.13298	2.5
141.07031	1.3
142.07829	2.7
143.08611	3.0
145.04976	2.4
145.10153	9.8
147.04350	1.3
147.08044	3.8
147.11691	13.6
149.09633	5.0
149.13264	8.9
151.11156	1.6
157.10120	11.7
159.11668	7.2
161.09596	1.2
161.13268	6.7
163.06046	5.4
163.11169	3.7
163.14825	4.8
165.12794	1.8
171.11655	2.4
173.09866	1.2
173.11931	1.1
173.13248	5.6
175.11189	8.5
175.14813	2.7
177.12758	1.3
187.14810	3.8
189.11311	2.7
193.12245	22.4
195.11856	1.5
197.13416	1.6
205.12369	1.6
207.11774	1.2
223.13039	1.3
227.12750	10.0
233.15266	1.4
235.13246	2.9
243.21046	4.8
249.14954	2.4
259.13254	2.6
261.22186	21.8
265.14511	2.0
267.15933	100.0
273.14896	1.5
279.23227	1.6
293.21066	1.3
299.23734	1.3
301.14307	3.6
301.25250	6.1
304.79825	1.3
309.16946	4.9
313.27487	2.5
317.24786	3.6
319.15598	1.4
333.24268	1.5
335.25818	83.3
335.76599	1.3
337.16626	1.2
403.24319	1.6
421.26065	4.3
435.27377	3.9
435.32739	4.7
449.29300	2.0
453.33801	8.4
471.34903	6.3
489.32001	1.7
509.36230	2.7
527.37341	79.2
528.37469	2.2
545.38409	89.3
546.38318	1.8
559.39636	2.4
569.38245	11.0
577.41260	2.3
587.39423	2.2
611.39502	1.9
623.39526	2.6
635.39838	3.1
653.40009	4.4
671.41528	2.6
936.48651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05209	3.0
67.05508	24.1
68.66824	1.0
69.03436	8.5
69.07074	26.6
71.04994	1.8
71.08635	19.7
79.05499	17.8
81.03426	4.7
81.07062	22.3
83.04987	3.3
83.08624	12.3
85.02902	4.9
85.10184	12.1
89.06039	2.2
91.03976	2.1
91.05492	12.4
93.07055	15.2
95.04974	7.5
95.08611	22.1
97.02893	13.6
97.06541	2.7
97.10168	14.3
102.38541	1.0
105.07046	9.5
107.04962	5.6
107.08623	10.7
109.06513	2.0
109.10167	12.1
111.04486	1.1
111.08107	1.7
113.07266	0.9
115.05488	1.0
115.76347	1.1
117.07047	6.8
119.04969	1.2
119.08570	7.6
121.06497	2.1
121.10149	3.1
123.04430	1.4
123.08091	3.6
123.11725	3.2
125.09619	8.3
127.03945	1.8
129.07039	3.2
131.08578	5.5
133.06506	3.0
133.10153	4.1
135.08083	3.6
135.11671	1.5
137.09634	3.1
143.08556	2.4
145.04971	1.2
145.10150	6.0
147.08014	5.2
147.11681	2.1
149.09650	2.1
149.13318	1.3
157.10146	2.0
159.11700	2.9
161.09625	2.9
163.11172	1.6
165.09064	1.6
171.11642	1.1
176.30087	1.0
189.11272	2.6
193.12331	1.4
205.12265	1.5
223.13315	18.2
227.12773	4.6
239.23798	1.5
249.15024	2.7
257.24658	1.3
273.18506	11.6
291.19550	88.4
292.19687	1.4
313.27380	69.4
347.22290	1.3
365.23233	59.3
366.23337	1.3
483.35953	1.2
523.39966	6.2
585.45288	2.1
603.46228	100.0
604.46503	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	916.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.4
67.05511	44.0
69.03426	2.5
69.07077	10.0
71.01364	0.9
71.04992	2.9
71.08638	21.2
73.02915	2.7
79.05502	11.9
80.05826	0.8
81.03417	4.4
81.07069	24.0
83.05002	3.8
83.05387	0.7
83.08624	16.6
85.02917	17.2
85.06541	1.8
85.10185	11.4
87.04473	4.5
89.06062	0.9
91.03975	4.6
91.05473	5.8
93.07043	5.7
95.04971	1.9
95.08620	22.6
96.08967	0.7
97.02914	6.0
97.06496	1.6
97.10175	21.2
99.04471	1.0
99.08035	0.8
99.11725	0.8
103.03931	1.2
103.07540	0.7
105.07047	1.9
107.04960	2.0
107.08607	8.0
109.06551	0.8
109.10165	37.7
110.10486	1.0
111.08112	2.0
111.11712	1.0
117.07034	1.0
119.08585	4.3
121.06468	0.8
121.10152	2.4
123.11699	3.7
125.09645	13.4
127.03923	2.3
129.06987	0.8
131.08617	1.5
133.10146	2.1
135.11699	2.0
137.09631	2.6
143.10695	3.4
145.04967	2.1
145.10117	1.7
146.32449	0.8
153.12726	1.8
155.10664	1.5
163.06050	2.1
163.11150	1.7
173.11742	10.5
191.10605	0.8
199.13315	9.1
209.11784	2.7
227.12810	5.1
229.14371	57.7
239.23732	3.5
244.71635	0.7
257.13895	1.5
257.24869	2.1
267.15924	2.8
283.15463	4.0
296.18628	1.7
301.16479	26.2
313.27390	100.0
314.27725	3.0
335.25858	4.2
336.26123	2.7
341.26923	2.2
354.50461	0.8
437.36307	6.2
442.19852	0.8
455.31674	1.4
455.37439	14.7
463.22299	0.9
467.37402	39.8
505.38791	2.2
521.38312	2.8
539.39423	16.8
540.39569	0.9
557.40527	4.3
575.41168	1.0
683.42511	1.0
701.44037	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	916.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	41.8
67.41452	1.0
69.03427	2.8
69.07076	8.1
69.54986	0.9
69.55274	8.4
71.05009	1.4
71.08635	16.4
73.02911	3.0
73.24723	1.0
79.05499	11.3
81.03429	4.4
81.07062	23.5
83.04984	3.0
83.08630	14.7
85.02911	12.7
85.06562	1.3
85.10178	8.7
87.04480	4.6
91.03972	4.0
91.05503	7.4
92.20293	1.0
93.07059	5.3
95.04974	2.8
95.08607	20.4
97.02902	6.4
97.06529	1.5
97.10175	17.8
103.03958	1.8
105.07030	1.8
107.04947	1.9
107.08612	8.3
109.10165	35.8
111.04417	1.3
111.08086	2.5
117.06998	1.4
119.08601	3.8
121.10144	2.0
123.08057	1.3
123.11724	3.4
125.09647	12.5
127.03960	2.2
131.08574	1.4
133.10188	1.8
135.11748	2.4
137.13229	1.9
143.10674	3.2
145.05022	2.1
145.10158	2.1
155.10689	1.4
162.83078	1.4
163.06116	2.0
163.11234	1.8
173.11784	9.2
192.55148	1.0
195.51315	1.1
199.13316	10.8
199.91231	1.3
201.10768	1.0
209.11766	3.7
217.14392	1.8
227.12798	6.1
229.14366	57.3
229.43047	1.2
239.23738	3.7
257.13998	1.2
257.24844	2.1
267.15927	3.7
283.15399	5.6
296.18604	1.6
299.14908	2.4
300.15067	1.3
301.16510	27.2
313.27393	100.0
314.27814	2.2
319.17999	1.1
335.25809	4.0
336.26288	3.7
341.27042	1.2
437.36411	5.5
455.37433	15.5
467.37375	37.7
494.77994	1.2
505.38943	2.6
521.38629	3.9
539.39484	18.9
557.40601	5.6
575.41486	1.5
701.44000	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.569
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	8.5
69.03405	1.1
69.07066	5.0
69.63314	5.0
71.04978	0.8
71.08640	16.0
73.02864	1.0
79.05492	5.9
81.03425	42.9
81.07063	13.5
83.04951	2.6
83.08630	14.2
85.02901	4.8
85.06558	0.8
85.10197	9.0
89.06039	0.9
91.03974	3.1
91.05495	7.2
93.07052	4.5
95.04971	13.6
95.08041	1.0
95.08608	14.1
97.02856	2.9
97.06513	1.0
97.10188	4.7
103.07545	1.1
105.07034	7.8
107.04969	3.6
107.08572	2.0
109.06520	1.1
109.10167	5.9
111.04415	0.9
111.08083	4.4
111.11728	0.8
115.05443	0.9
117.07007	1.1
119.08598	6.8
119.21695	0.6
121.06489	1.8
121.10150	4.5
123.04384	1.0
123.08109	0.8
123.11668	2.7
125.09718	0.6
127.03857	1.1
129.07021	4.1
131.08600	4.5
133.06514	1.1
133.10109	2.0
135.11710	0.9
137.13300	0.8
142.07715	0.8
145.04953	1.2
145.10091	0.8
147.08043	1.8
147.11720	3.8
149.09604	2.9
157.10153	4.9
163.06026	2.8
163.11241	1.4
165.12782	1.1
175.11212	6.0
193.12268	20.1
205.12381	0.9
211.13234	0.8
235.13358	1.8
239.23746	1.9
249.14845	1.7
257.24765	2.0
259.13263	1.8
267.15939	100.0
268.16312	1.8
273.14993	0.7
288.63757	0.7
301.14410	1.9
309.17035	2.4
313.27386	98.8
314.27725	1.1
375.18115	0.8
505.38925	88.3
506.39417	3.9
523.39911	3.8
547.39911	6.7
565.41284	0.7
589.41083	1.5
601.40924	2.4
613.41162	1.7
631.42810	3.3
649.43066	1.5
914.51685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.1
65.98055	0.5
67.05505	23.9
69.03422	2.7
69.07068	6.4
69.54372	4.9
71.04979	2.4
73.02908	1.8
79.05495	20.1
81.03423	20.4
81.07057	26.7
83.04980	5.1
83.08146	0.7
83.08622	10.4
85.02901	14.0
85.06532	1.6
91.03967	4.6
91.05483	16.0
93.07039	21.6
95.04968	11.1
95.08601	16.5
97.02871	4.4
97.06528	2.8
97.10168	2.5
99.04433	1.1
105.07028	12.3
107.04965	2.4
107.08590	9.6
109.06516	2.9
109.10156	8.0
111.04440	1.2
111.08071	5.0
111.11791	0.5
113.06032	0.7
115.05452	0.7
117.07019	2.5
119.08579	10.4
121.06545	0.7
121.10139	11.1
123.08094	1.7
123.11714	3.0
125.09641	1.4
127.03918	2.2
129.07013	4.3
131.08578	8.3
133.06477	0.7
133.10117	7.8
135.11696	6.0
137.09610	0.7
142.07831	1.1
145.04971	1.8
145.10112	4.2
147.08102	1.2
147.11681	9.5
149.09613	2.8
149.13278	2.4
151.69975	0.5
157.10141	5.1
159.11655	3.2
161.13258	1.8
163.06035	2.0
163.11227	1.5
163.14845	1.1
165.12761	1.6
171.11720	0.9
171.83058	0.6
173.13310	2.5
175.11159	5.9
175.12253	0.5
175.41537	0.6
187.14804	0.8
193.12248	16.3
206.47095	0.6
209.13466	0.6
211.13289	27.4
227.12779	0.7
229.14320	0.8
243.21114	2.0
261.22168	8.3
267.15897	9.8
279.23352	0.6
285.16959	39.2
291.19519	1.0
301.25073	0.9
317.24823	1.5
335.25797	55.6
336.26175	0.9
365.23605	0.6
417.31863	0.7
435.32675	2.4
453.33621	1.6
471.34430	1.5
509.18799	0.6
527.37366	14.6
545.38379	100.0
546.38611	2.4
563.38177	0.6
904.45392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73435	0.7
64.43237	0.6
65.03931	1.3
67.05505	34.7
67.07471	0.7
69.03424	2.3
69.07065	10.9
71.04992	2.0
71.08645	1.1
71.34563	2.1
73.02908	1.8
75.85056	0.7
79.05493	27.0
81.03428	3.1
81.06577	1.8
81.07056	34.8
83.04991	2.5
83.08622	8.8
84.74529	0.7
85.02917	3.4
85.06543	1.5
87.27305	0.7
91.03951	1.5
91.05471	13.5
91.06004	1.0
93.07044	39.5
94.75613	0.7
95.04977	6.1
95.08606	41.1
97.02899	3.8
97.06532	2.8
97.10178	2.1
99.04483	2.3
103.97751	0.7
105.07038	10.8
107.04937	4.1
107.08595	25.4
109.06525	1.6
109.10154	11.5
111.04491	0.9
111.08110	1.1
113.05952	0.8
113.64590	0.6
117.07018	7.0
119.08578	11.7
121.06522	3.1
121.10143	16.8
123.08099	1.6
123.11704	2.7
125.05956	1.8
125.09639	0.6
127.03970	1.1
129.07016	1.2
131.08585	4.1
133.10153	5.9
135.08112	1.0
135.11696	37.4
137.13329	0.9
139.07536	1.2
143.08702	0.8
145.10127	20.7
146.52547	0.7
146.85800	0.8
147.11671	1.8
149.09532	0.8
149.13272	3.1
159.11679	1.4
161.13322	2.4
163.06029	1.1
163.11188	42.7
167.29723	0.8
173.13275	1.6
180.75443	0.7
181.12238	6.8
181.23660	0.6
187.14917	1.1
227.12775	48.1
228.13199	1.0
243.21117	2.0
261.22122	6.5
264.30310	0.8
267.15881	1.9
268.16357	0.8
283.15405	53.5
284.15607	1.0
313.27576	2.3
314.27509	1.5
317.24878	2.0
335.25800	94.7
336.26147	1.4
461.01675	0.8
507.39188	1.0
543.36829	100.0
544.37024	3.1
561.37799	1.0
902.48456	0.9
927.73785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.27817	0.5
67.05506	8.4
69.03402	1.2
69.07066	3.8
71.04951	0.8
71.08631	12.3
71.58719	0.8
73.02864	1.6
79.05492	2.7
81.03365	2.1
81.07056	11.2
83.04937	1.0
83.08616	9.7
85.02904	7.1
85.06506	1.0
85.10181	8.3
87.04406	0.8
89.06007	1.1
91.03963	4.9
91.05486	8.0
93.07040	5.8
95.04898	1.4
95.08610	10.3
97.02898	5.4
97.06467	1.6
97.10164	2.8
99.00818	7.8
99.04422	1.1
101.02333	0.6
103.07564	0.8
105.07030	5.4
107.04969	2.6
107.08609	2.8
109.02876	4.8
109.06479	0.9
109.10159	6.7
111.04399	0.9
111.08054	2.7
111.11705	0.7
113.92834	0.5
115.03873	1.4
117.06956	1.3
117.09112	0.8
119.08582	4.7
121.05692	0.6
121.06473	3.3
123.04404	0.8
123.08051	1.0
123.11711	2.7
127.03933	3.3
129.06976	0.8
133.06406	0.8
133.10133	19.3
135.08025	1.0
135.11673	1.0
137.05983	0.9
137.09531	0.9
137.13185	0.6
139.07463	2.1
143.08588	2.8
145.04956	2.3
145.06366	0.5
147.07977	1.1
149.90509	0.5
151.11179	7.3
161.09631	11.1
161.86841	0.5
163.06003	2.8
163.11163	0.5
171.08118	2.4
179.10689	6.7
189.09106	5.9
197.11700	1.6
207.10213	2.6
225.11235	7.6
239.23756	0.9
243.12238	1.3
257.24661	1.7
281.13901	3.6
299.14896	100.0
300.15240	0.8
313.27371	79.4
314.27747	1.3
438.04031	0.5
537.37885	54.7
538.38342	2.0
886.95691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	19.5
68.05038	2.8
69.03419	5.4
69.07052	6.2
70.06577	13.0
71.05019	3.4
71.08624	9.0
71.61179	2.2
72.04517	31.5
73.02921	3.7
79.05481	12.5
80.05006	3.4
81.03409	5.4
81.07057	16.9
82.06567	2.9
83.04974	3.4
83.08618	10.7
84.04504	13.7
85.02913	17.3
85.10173	5.9
86.06063	2.7
88.04001	4.1
91.03940	6.7
91.05492	8.9
91.93494	2.3
93.07033	13.2
95.08611	14.0
96.04424	2.7
97.02894	12.2
97.06523	3.3
97.10176	6.5
98.06048	2.5
100.03966	4.5
102.05531	6.8
105.06996	3.2
107.04993	4.8
107.08601	6.5
107.88887	2.3
109.10146	12.8
114.12812	6.7
119.08589	5.3
120.08051	2.7
120.11079	2.1
121.10197	3.0
125.09632	3.1
127.03847	3.4
135.11649	4.1
138.12750	3.4
145.10144	3.4
154.12257	3.0
154.15820	2.4
156.13942	3.2
163.11142	2.5
166.12280	11.1
182.11777	5.0
182.15436	7.3
183.12520	6.1
184.13341	37.3
191.10577	3.8
196.30988	2.6
208.13350	8.3
210.14832	3.1
226.14395	10.9
227.12823	3.4
229.14372	9.2
239.23553	2.8
258.16818	3.0
289.57465	2.3
300.18140	4.2
313.27365	28.3
318.19205	3.0
391.25140	2.7
467.37210	4.4
489.46130	2.4
530.40192	2.8
556.41937	8.7
574.43103	100.0
575.43298	5.8
601.20764	2.4
692.45111	3.7
718.46716	8.8
736.48358	95.0
737.47858	5.5
738.94708	2.7
880.52277	8.4
898.37689	3.7
898.53821	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	2.0
67.05507	11.0
69.07072	6.8
70.01990	4.1
71.04993	2.2
71.08639	14.3
73.02940	1.5
76.22607	0.8
79.05488	9.4
81.03424	1.4
81.07060	13.4
83.04956	1.6
83.08620	9.8
85.02892	3.4
85.10194	9.5
89.06026	2.0
91.03969	1.4
91.05475	3.4
93.07045	17.3
95.04951	3.8
95.08612	26.2
97.02912	4.6
97.06525	1.3
97.10165	2.6
99.04465	1.2
99.11734	1.2
105.07027	3.0
107.04924	4.2
107.08601	15.6
109.06485	1.0
109.10164	6.2
117.07013	4.5
119.08576	5.4
121.06503	3.0
121.10164	8.0
123.11671	2.1
125.05990	1.4
127.03908	0.9
133.08623	1.2
133.10141	1.8
135.08080	1.2
135.11703	30.0
137.13257	1.0
139.07533	1.1
145.10144	16.7
163.11189	43.2
181.12228	7.5
227.12793	44.6
257.24695	1.3
283.15408	81.0
284.15640	2.0
313.27377	76.1
314.27902	2.2
521.38409	100.0
522.38477	5.1
594.80688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	16.4
69.03441	3.8
69.07066	7.4
71.04990	2.7
71.08637	16.3
73.02911	3.0
76.31193	0.6
79.05499	10.3
81.03419	37.9
81.07055	21.8
83.04983	7.4
83.08622	20.5
85.02906	23.3
85.06529	1.5
85.10180	9.5
89.06034	1.1
91.03959	6.5
91.05487	14.5
93.07059	8.3
95.04970	13.4
95.08606	14.7
96.04505	0.8
97.02874	7.0
97.06542	2.1
97.10190	4.9
98.20706	1.5
99.04440	1.2
99.08135	0.9
103.07590	1.1
105.07027	12.0
107.04971	3.1
107.08607	4.1
109.06509	2.6
109.10146	6.3
111.04452	1.6
111.08087	5.7
111.11697	0.7
113.05997	1.6
115.03954	0.6
117.06956	1.1
119.08570	9.3
121.06516	1.0
121.10143	6.3
121.35963	0.7
123.08060	1.0
123.11720	3.2
125.09631	1.0
127.03911	1.9
127.07539	0.7
129.07010	5.1
131.08572	7.5
133.06493	2.2
133.10107	6.4
137.13213	0.7
142.07841	0.9
145.04991	2.8
145.10115	1.0
147.08037	1.8
147.11690	9.3
149.09624	3.4
157.10136	8.9
163.06073	2.6
165.12787	1.9
175.11183	7.6
177.12103	0.7
193.10899	0.5
193.12248	24.5
211.13298	36.9
239.23770	1.6
252.96700	0.7
257.24832	1.3
267.15933	15.1
285.16971	56.3
313.27365	57.8
314.27722	0.8
372.99612	0.7
505.38892	15.4
523.39954	100.0
524.40448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.6
62.10173	1.4
64.93649	1.9
65.03932	4.6
67.05505	54.3
69.03417	7.3
69.07076	27.4
71.05001	8.4
71.60465	3.0
71.60842	1.5
73.02891	1.6
79.05491	53.2
81.03420	13.0
81.07056	100.0
82.07376	2.3
83.04990	11.0
83.08614	22.7
84.04489	5.8
85.02896	5.0
85.06525	4.5
91.04964	2.7
91.05484	39.2
93.07044	39.3
95.04958	22.2
95.08611	30.0
96.04482	1.9
97.02876	3.9
97.06530	19.2
97.10166	14.6
99.04443	1.8
99.08083	4.6
103.05416	2.0
105.07028	37.9
107.04959	14.6
107.08598	31.1
109.02930	1.8
109.06525	24.5
109.10147	14.2
111.04433	6.5
111.08051	7.0
116.06339	2.1
117.07018	15.7
119.08578	29.9
121.06521	8.4
121.10139	18.9
123.08087	17.4
123.11696	9.1
125.09636	11.9
129.07047	8.6
130.05017	9.6
131.08585	17.8
133.06473	3.4
133.10139	20.8
135.08076	8.4
135.11702	11.9
137.09590	4.7
143.08557	7.3
145.10124	17.5
147.07629	11.3
147.11684	15.3
148.06091	2.0
149.09595	12.4
149.13293	8.4
151.11166	2.5
155.08493	3.9
157.06541	1.8
157.10115	7.5
159.08023	2.9
159.11691	9.6
161.09572	7.9
161.13303	2.7
163.11214	16.7
165.09175	2.9
165.12752	4.1
169.10133	2.2
171.11696	4.5
173.09612	2.7
173.13264	3.1
175.11139	8.1
177.12730	3.7
181.12236	3.4
183.11778	1.8
184.07281	2.6
185.13298	3.4
187.11230	2.0
189.11185	7.8
189.12750	2.2
191.10529	2.6
193.12199	4.9
195.11720	3.8
195.13702	2.2
197.13303	2.3
201.12784	2.0
211.13297	1.8
213.12822	1.9
218.28145	1.7
223.13309	3.6
227.12743	9.4
227.17917	2.3
241.75606	1.7
245.18976	3.4
247.20560	2.4
250.14357	4.6
255.17551	3.5
257.19006	2.7
267.15811	5.6
269.17532	5.8
273.18463	22.8
275.17252	3.1
275.20068	39.7
283.15311	2.7
291.16498	2.8
291.19534	39.2
293.21085	10.7
297.21658	1.8
308.19379	2.0
309.20590	4.1
316.17108	1.8
335.25732	3.1
347.22302	9.3
349.23761	26.3
365.23288	29.5
367.20297	2.9
367.24799	40.2
382.69574	1.9
383.24255	15.5
463.30515	2.8
527.36707	2.1
529.44922	1.8
541.35577	2.0
543.36975	2.3
559.36115	3.8
565.38562	2.8
621.41370	9.1
639.32220	2.3
639.42511	34.5
640.42401	2.1
644.35388	2.2
657.43591	41.4
675.44690	27.0
712.10321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	2.4
65.03941	6.3
65.60965	1.9
67.05508	73.4
69.03424	8.1
69.07069	44.0
69.53796	6.6
69.54224	10.0
69.84761	2.1
70.06562	2.0
71.04987	7.5
73.02921	3.2
79.05490	62.3
81.03426	17.1
81.07059	100.0
83.04984	19.2
83.08622	27.0
85.02908	6.4
85.06540	4.5
91.05482	49.8
91.94885	2.0
93.06463	4.2
93.07044	55.2
95.04970	27.1
95.08612	28.6
97.02895	8.6
97.06523	17.8
97.10168	29.9
99.04451	2.9
99.08082	3.4
105.07031	43.1
105.16867	2.0
107.04942	17.8
107.08588	43.2
109.06507	14.9
109.10160	25.1
111.04445	9.5
111.08093	7.0
117.07010	18.6
119.08576	39.1
121.06506	9.7
121.10143	18.9
123.08086	20.8
123.11725	2.5
125.09628	22.3
125.35059	2.3
127.03954	2.7
128.06216	3.2
129.06999	10.8
131.08565	27.3
133.06558	2.4
133.10136	28.1
135.08066	11.1
135.11694	13.5
137.09586	5.6
139.11191	2.6
141.07010	2.2
143.08572	8.6
145.06479	5.1
145.10135	24.6
147.08037	8.2
147.11720	11.3
149.09631	15.3
149.13289	9.3
151.11212	3.6
153.09111	4.0
153.12772	5.3
155.08607	5.7
157.10159	10.1
159.11710	16.7
161.09630	8.7
161.13242	2.7
163.11200	16.6
165.09192	2.8
169.10114	5.1
171.10263	3.2
171.11726	7.3
173.09644	4.4
173.11810	3.3
173.13226	4.7
175.11269	6.9
175.14740	2.1
177.12737	8.1
181.12233	4.2
183.11766	3.4
184.07335	3.6
185.13254	2.7
189.11217	17.8
189.12720	3.6
191.10652	6.0
193.12254	3.0
199.14818	2.6
205.12155	3.0
211.15009	2.0
223.13330	10.4
227.12781	28.7
229.14377	7.2
239.18015	3.0
245.13869	3.4
245.18990	3.8
247.20485	3.1
249.14833	2.2
255.15594	2.4
257.19040	8.8
265.14462	2.1
267.16125	2.3
269.17444	19.2
273.18475	31.5
275.20081	32.6
283.15305	4.0
291.19531	86.7
293.21097	6.5
309.20700	7.6
331.22662	2.9
347.22186	8.5
349.23764	33.9
349.27692	3.8
350.43628	2.1
365.23233	50.1
366.23489	3.4
367.24741	6.6
383.24097	11.0
519.33276	22.0
541.34821	7.6
545.34576	4.7
559.36292	44.1
577.37134	8.4
621.41156	5.3
639.42542	40.4
657.43719	24.4
675.44287	2.6
743.38538	2.3
761.32996	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.1
65.03954	3.9
67.05506	78.6
69.03416	11.6
69.07070	45.2
69.98797	1.5
70.17002	6.7
70.17422	3.3
71.05001	9.3
73.02930	3.5
77.03910	2.2
79.05492	61.9
81.03408	16.9
81.07060	100.0
83.04984	18.6
83.08629	23.6
84.04504	2.5
85.02914	6.2
85.06548	5.0
91.03947	2.0
91.05486	49.8
93.07049	58.2
95.04978	20.4
95.08611	37.1
97.02904	7.9
97.06537	35.9
97.10163	21.1
99.04465	2.9
99.08101	5.1
99.78527	1.8
105.06377	3.4
105.07037	42.1
107.04970	17.2
107.07871	2.3
107.08598	44.3
109.02869	4.1
109.06525	15.3
109.10140	22.3
111.04461	9.2
111.08104	9.2
115.05354	1.8
115.07581	4.7
116.06197	1.7
117.07030	22.2
119.08579	35.4
121.06519	11.2
121.10149	25.5
123.08072	14.9
123.11678	4.7
125.09641	18.1
127.03955	3.0
129.07021	10.4
130.05031	5.0
131.08585	23.3
132.09029	1.9
133.06514	5.0
133.10130	28.7
135.08043	12.0
135.11710	16.4
137.09602	7.7
139.11124	2.5
141.07025	3.1
143.08588	9.0
145.06512	3.8
145.10124	22.8
147.08090	10.1
147.11711	10.2
149.09645	17.6
149.13263	11.4
151.11298	2.6
153.09146	3.0
153.12762	3.8
155.08545	4.2
157.10139	10.0
159.08064	5.8
159.11687	17.1
161.09616	10.7
161.13257	3.2
163.11154	13.4
165.09204	4.3
165.12791	2.2
169.10126	5.3
171.10277	2.3
171.11739	7.1
173.04428	3.5
173.09636	5.3
173.11826	2.7
173.13286	6.1
175.11237	6.2
177.12766	5.0
179.14322	2.9
181.12207	6.0
183.11711	2.8
184.07378	4.6
185.13254	4.0
189.11200	12.0
191.10590	2.9
193.12291	3.5
195.11868	2.2
195.13826	5.3
197.13368	3.2
199.14815	2.1
217.15829	2.0
223.13261	3.7
227.12781	19.0
227.17992	2.6
229.14343	6.0
229.19514	2.8
245.19046	3.4
249.04024	2.2
249.14903	2.6
253.14311	4.8
255.16010	6.4
257.19226	4.7
267.15915	5.9
269.17514	31.5
273.18536	31.0
275.20111	21.2
291.19543	54.0
299.95078	1.9
309.20660	4.3
347.22198	12.1
349.23795	21.7
365.23224	30.0
367.24591	6.4
380.77264	2.1
383.24323	8.5
405.30051	5.5
406.30371	6.0
463.30759	2.3
519.33081	9.9
527.33313	2.3
541.35516	12.1
543.36737	4.6
545.34949	9.0
559.36346	36.7
563.35583	4.1
577.37299	14.4
604.24286	2.0
621.41772	3.4
639.42511	14.3
657.43427	8.9
670.98022	2.2
675.44354	3.5
775.16760	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02958	2.8
65.03936	5.8
67.05507	85.8
68.02531	2.9
69.03426	8.1
69.07072	44.3
70.01633	6.3
70.02042	11.1
70.06599	6.9
71.04987	7.6
71.08645	4.0
73.02893	2.7
75.45676	2.7
78.16344	3.0
79.05491	73.4
81.03436	15.7
81.06579	4.8
81.07059	100.0
83.04971	14.6
83.08625	24.1
85.02902	8.2
85.06539	6.9
91.05481	59.7
91.06008	5.2
93.07044	71.0
95.04963	28.8
95.08616	38.7
97.02894	5.5
97.06527	17.1
97.10178	14.7
99.08105	5.4
105.07022	49.4
107.04977	14.0
107.08604	48.8
109.06498	16.8
109.10165	19.0
111.04480	3.7
111.08103	8.2
116.07081	4.9
117.07021	22.4
118.99834	3.1
119.08578	42.5
121.06508	7.1
121.10145	24.5
123.08062	9.8
123.11723	8.4
125.09635	9.4
126.22097	2.9
127.03902	3.8
128.06216	3.0
129.05528	3.3
129.07021	11.2
131.08589	26.3
133.06497	4.6
133.10133	38.5
135.08069	7.1
135.11693	20.2
137.09613	5.4
143.08565	8.0
145.10146	24.0
147.08063	4.4
147.11694	20.3
149.09586	21.0
149.13251	11.2
151.11206	5.6
155.08549	6.6
157.10158	10.1
159.11694	14.5
161.09650	7.0
161.13252	5.7
163.11136	18.0
165.12849	3.2
169.10117	6.3
171.11655	7.4
173.09581	5.0
173.13322	5.3
175.07738	2.8
177.12772	5.9
184.07336	3.2
185.13205	3.5
187.14871	5.2
189.11223	4.1
195.13737	4.6
197.13200	3.4
218.22115	3.1
223.13235	7.7
227.12802	9.7
229.19673	4.6
239.18001	5.0
247.20512	8.0
255.15939	12.3
257.19034	10.5
267.15967	6.5
269.17490	41.9
271.46182	2.8
273.18546	3.5
275.20053	67.0
276.20508	6.8
291.19678	4.6
292.19882	5.8
293.21100	20.9
349.23734	53.0
350.24014	4.4
365.23254	4.7
367.24805	43.6
449.28845	21.1
463.30658	31.3
515.36792	6.0
525.35925	4.3
529.35077	6.8
543.36816	32.8
561.37610	10.6
597.36890	3.3
623.43286	13.4
630.33966	2.9
641.43707	33.2
659.45197	22.4
676.43616	3.7
838.49585	3.8
856.44220	6.4
857.45874	9.8
866.81390	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.0
67.05507	75.6
69.03420	8.1
69.06763	4.2
69.07069	38.8
69.32304	19.9
69.32738	14.2
71.05006	5.7
79.05064	4.7
79.05495	81.3
80.19872	3.7
81.03430	18.5
81.07061	100.0
82.06525	3.1
83.04978	19.8
83.08616	41.4
85.02889	8.4
85.06539	6.0
88.46458	3.1
91.05479	71.5
93.07042	72.1
95.04977	56.4
95.08600	40.6
97.02876	7.1
97.06529	22.3
97.10184	26.6
99.04459	8.7
105.07034	73.2
107.04955	17.1
107.08600	66.4
109.06529	18.5
109.10162	21.9
111.04415	9.9
111.08121	5.9
115.05449	4.3
117.06999	23.5
119.08588	45.5
121.06502	10.1
121.10146	32.3
123.08085	10.6
123.11673	5.1
125.09631	24.0
127.03897	5.1
129.07005	10.5
131.08569	35.9
133.06540	4.7
133.10143	35.4
135.08028	8.9
135.11729	16.9
137.09613	5.5
141.06981	5.6
143.08563	7.5
145.10120	35.8
147.08043	5.2
147.11702	16.6
149.09641	32.7
149.13245	7.8
151.11208	5.2
157.10135	9.0
159.11658	20.7
161.09650	6.0
161.13277	6.3
163.11174	29.4
163.14937	3.3
165.12799	3.5
169.10117	4.9
171.11629	5.2
173.09499	3.8
173.13235	7.8
175.11263	6.5
177.12813	8.1
183.11681	4.0
184.07323	8.7
187.11240	4.2
189.11243	17.0
197.13242	3.8
223.13301	26.5
227.12843	17.9
231.84132	3.3
239.17935	5.9
247.20547	5.1
255.15863	9.6
257.18921	12.3
269.17496	26.1
275.17267	7.1
275.20059	93.1
276.20126	3.9
285.89896	3.9
291.19708	3.6
293.21078	38.9
349.23749	82.1
367.24786	52.6
368.24750	3.7
519.32880	6.5
537.33868	7.4
543.36932	22.7
547.36334	15.7
561.37781	45.1
623.34912	3.5
623.43237	38.0
641.44006	50.6
659.44440	10.8
705.43280	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	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23164	1.3
61.02943	1.4
65.03946	2.6
66.04716	1.3
67.05507	56.3
69.03430	6.5
69.07076	33.9
71.04980	3.7
71.08593	1.6
71.59156	2.4
79.05062	2.7
79.05500	46.8
79.05962	3.0
80.05866	1.7
81.03430	10.0
81.07063	100.0
82.07434	1.8
83.04974	9.6
83.08635	20.5
85.02896	4.5
85.06544	4.7
86.09692	2.2
91.05487	36.9
93.06467	2.7
93.07055	50.0
95.04975	20.6
95.08612	34.4
95.17622	1.4
97.02892	3.1
97.06525	12.7
97.10171	6.1
99.04478	1.7
99.08095	4.7
103.05431	1.8
105.07040	39.2
106.07394	2.1
107.04972	13.4
107.08601	30.3
109.06529	20.5
109.10165	14.2
111.08075	6.6
117.07034	12.2
119.08591	29.1
121.06519	7.8
121.10159	17.6
123.08080	7.7
123.11744	8.9
125.09610	4.7
127.03970	1.7
128.06184	2.1
129.06999	6.9
131.08582	17.4
133.06509	2.2
133.10135	24.4
135.08063	6.2
135.11717	14.8
137.09612	5.6
143.08548	4.0
145.10123	16.0
147.08162	2.8
147.11696	18.7
149.09619	10.9
149.13263	13.1
151.11221	3.2
155.08466	2.6
157.10123	5.8
159.07990	1.7
159.11725	14.8
161.09674	2.6
161.13255	4.9
163.11224	10.4
163.14774	2.7
165.12784	4.9
169.10101	1.7
171.11688	4.2
173.13286	4.1
175.11195	4.5
177.12738	4.4
179.14391	3.3
181.12094	1.7
183.11746	2.0
184.07356	4.2
187.14828	1.8
189.11237	3.3
195.13795	3.8
201.12671	2.5
205.12131	2.4
211.14915	1.7
213.16269	1.6
223.13242	2.6
229.19615	2.8
239.17853	3.6
241.99835	1.6
247.20657	3.9
255.15921	6.6
257.19095	10.1
267.15936	3.1
269.17490	33.5
273.18390	2.6
275.20078	53.5
276.20346	2.7
277.21585	3.2
291.19565	8.0
292.19809	4.4
293.17960	2.1
293.21097	10.5
331.22702	2.7
349.23770	45.0
350.23904	2.8
351.25089	2.3
365.23117	2.3
366.23529	4.7
367.24863	29.7
368.25024	2.2
379.58481	1.6
479.29871	1.9
525.35632	2.6
529.35327	13.5
543.36859	48.9
547.36633	7.7
561.37933	36.7
623.43066	10.7
641.44025	18.8
658.44232	2.5
659.44769	11.7
788.66522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.5
62.94378	0.7
65.03931	1.8
67.05511	41.3
68.05863	0.8
69.03443	3.8
69.07072	27.1
69.39673	3.2
69.40102	3.8
71.04997	2.7
71.08624	0.7
71.53062	0.8
79.05498	36.8
81.03418	5.2
81.07062	100.0
82.07395	1.8
83.04987	6.6
83.08624	14.8
85.02920	2.0
85.06548	3.4
90.14111	0.7
91.05483	31.2
93.07047	29.7
93.07626	1.7
95.04980	12.9
95.08615	28.3
97.02905	2.5
97.06538	9.5
97.10171	4.4
98.20746	1.6
99.08089	3.5
105.07038	33.9
106.07434	0.9
107.04961	11.2
107.08602	20.4
108.08914	0.8
109.06532	26.8
109.10155	10.3
111.04467	1.2
111.08094	5.5
111.48992	0.8
115.05389	1.2
117.07033	10.7
119.08591	24.9
120.08977	0.9
121.06492	5.0
121.10147	15.3
123.08094	9.1
123.11710	8.5
125.09648	2.9
127.07607	1.0
129.07025	4.2
130.07744	0.9
131.08580	14.8
133.06532	1.5
133.10141	20.5
135.08066	4.0
135.11708	8.3
137.09631	4.7
137.13260	1.2
139.07547	1.0
141.07025	1.4
142.07849	1.0
143.08600	3.1
145.10130	12.3
147.08049	2.6
147.11694	22.5
149.09631	9.0
149.13255	7.1
151.11191	4.0
155.08574	1.2
157.10129	5.5
158.96545	0.9
159.11707	10.1
161.09648	2.1
161.13257	3.6
163.11208	7.8
163.14857	2.3
165.09193	0.8
165.12737	5.4
169.10207	2.1
170.59666	0.9
171.11740	2.6
173.09697	1.7
173.13258	5.1
175.11180	3.7
177.12791	3.2
179.14369	2.2
181.58162	0.8
183.11710	2.1
184.07356	0.9
187.11237	0.9
187.14844	1.6
189.11232	1.1
189.12743	1.5
191.14322	1.8
193.12280	2.7
195.13895	1.1
197.13333	1.7
201.12775	0.9
205.12219	0.9
205.19661	1.0
211.14935	0.9
219.13832	0.7
223.13292	1.9
227.12857	2.3
228.13286	0.8
229.19592	2.4
233.15311	1.1
239.18005	3.3
247.20581	4.5
257.19058	5.2
267.15903	1.8
273.18597	1.1
275.20078	65.4
276.20557	2.7
282.77594	0.9
291.19589	5.4
292.19928	1.7
293.21103	14.8
307.22891	0.7
328.56229	0.8
331.22949	1.1
349.23752	54.6
350.24139	1.6
351.25385	1.4
365.23398	2.0
366.23560	0.8
367.24817	75.1
368.25375	1.7
437.63287	0.8
488.80475	0.8
559.36139	1.1
560.37158	1.0
567.41296	1.1
585.40900	1.1
623.43085	42.3
624.43292	1.6
641.44147	52.1
642.44281	2.4
659.45227	47.7
660.45685	1.6
803.48334	0.9
852.62048	0.9
857.46313	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	1.4
65.03933	2.5
67.05508	56.1
69.03429	11.1
69.07070	42.5
71.05022	2.7
71.51486	1.1
71.59673	2.4
73.02905	1.3
79.05500	45.0
81.03424	10.1
81.07059	58.0
83.04989	10.2
83.08617	16.1
85.02891	2.6
85.06549	2.6
91.05484	41.2
93.07050	44.8
95.04977	15.1
95.08046	2.2
95.08613	24.6
97.02882	10.1
97.06544	12.1
97.10173	15.6
99.04465	1.1
99.08105	1.9
102.07756	1.2
103.05470	1.8
105.07036	31.9
107.04959	10.9
107.08599	30.9
109.02863	1.9
109.06512	6.8
109.10168	13.5
111.04425	2.8
111.08089	4.5
114.16418	1.3
115.05460	1.2
117.07006	16.3
119.08595	26.6
119.09422	0.9
121.06506	5.5
121.10139	13.1
123.04462	1.4
123.08083	4.4
123.11712	2.7
125.09634	11.0
127.03960	2.5
128.06296	1.3
129.05437	1.1
129.06999	7.0
130.07733	1.6
131.08572	17.2
133.06490	4.1
133.10127	20.2
135.08073	7.5
135.11685	10.8
137.09607	4.0
143.08571	4.3
145.06480	1.4
145.10114	15.7
147.08092	7.2
147.11700	7.6
149.09631	9.6
149.13237	9.3
151.11174	4.4
153.09167	1.2
155.08548	3.1
156.09276	1.1
157.10088	4.7
159.11681	8.0
161.09647	4.6
161.13277	2.7
163.11140	6.8
165.09140	2.3
165.12740	1.7
169.10114	2.4
171.11699	3.1
173.04526	1.4
173.09657	1.3
173.11749	1.4
173.13240	3.2
175.11208	4.1
177.12718	3.9
179.14236	1.6
181.12170	1.2
185.13235	2.6
187.11076	1.7
189.11212	6.5
189.12715	1.8
193.12234	2.2
195.13812	5.2
197.13205	1.3
205.12213	1.8
214.06386	1.1
223.13312	20.6
227.12825	8.6
239.17931	2.2
245.19116	1.6
249.14877	4.9
253.14436	6.2
255.15871	5.3
257.19016	5.3
263.20123	1.6
269.17496	30.0
273.18509	15.4
275.20068	15.4
291.19553	100.0
292.19791	3.5
309.20770	2.0
347.22046	2.0
349.23779	17.3
360.22336	1.2
365.23230	52.2
366.23550	1.9
367.24619	3.6
442.40173	1.2
465.29272	1.4
493.76160	1.3
535.31769	1.7
541.34906	4.9
545.34845	18.8
559.36359	79.5
560.36267	3.3
599.39233	1.4
639.42572	17.1
657.43414	2.9
703.40295	1.8
854.45313	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.1
67.05506	53.6
69.03435	10.8
69.07069	39.3
69.47993	1.0
70.81374	2.0
70.81722	1.3
76.16867	0.8
77.03880	1.0
79.05495	44.7
79.35852	0.8
81.03423	11.1
81.07059	85.0
82.07371	0.9
83.04990	9.0
83.08616	17.7
85.02913	2.5
85.06537	3.8
91.05483	40.6
92.05791	0.9
93.07046	35.8
95.01337	1.5
95.04971	20.5
95.05560	1.7
95.08610	27.7
97.02897	9.8
97.06542	9.7
97.10162	13.7
97.91486	0.9
99.04433	1.0
99.08115	2.2
103.05478	2.0
105.07037	36.8
107.04954	14.3
107.08599	30.2
107.09155	0.8
109.06534	19.8
109.10164	19.4
111.04462	1.4
111.08094	5.5
114.37804	0.8
115.05474	1.2
116.06255	1.3
117.07021	11.3
119.04903	1.5
119.07782	1.9
119.08588	26.9
121.06488	8.5
121.10158	14.7
123.04420	1.2
123.08084	9.9
123.11708	5.9
125.09619	11.4
127.07533	1.5
128.06197	2.2
129.06975	5.1
129.09206	0.9
130.07782	1.2
131.08572	18.6
133.06499	3.9
133.10130	23.3
133.11078	1.9
135.08035	7.7
135.11713	7.4
135.78419	0.9
137.09616	4.4
139.11189	1.3
141.43399	1.0
142.07776	1.1
143.08589	3.9
145.06525	2.1
145.10144	13.7
147.08066	7.7
147.11697	17.0
149.09612	9.8
149.13254	8.5
151.11197	7.0
155.08537	1.7
156.52977	1.0
157.10141	4.9
159.08069	1.8
159.11691	10.9
161.09669	5.3
161.13266	3.5
163.11183	7.2
163.14934	1.7
165.09073	2.5
165.12813	3.8
169.10155	1.8
169.12299	1.9
171.11739	3.4
173.09586	1.7
173.11937	1.0
173.13293	3.0
175.11208	4.9
177.12752	4.0
179.14297	2.4
183.11694	1.9
185.13225	1.2
187.11256	1.1
189.11220	3.7
189.12685	1.1
193.12253	3.0
195.13838	1.2
198.46298	1.0
203.14337	1.2
205.12276	3.9
207.13744	1.0
211.13170	1.4
223.13281	21.8
227.12764	5.5
229.19579	2.3
231.17409	1.2
239.17943	1.4
245.18967	1.6
247.20619	3.6
249.14954	4.0
253.14380	14.6
257.18954	5.3
267.15952	2.5
269.17587	1.5
273.18503	19.8
275.20059	53.0
276.20407	1.0
291.19543	100.0
292.19803	3.0
293.21112	11.1
347.22137	5.4
349.23743	32.4
350.24155	1.3
363.21887	1.2
365.23245	75.3
366.23718	2.4
367.24811	32.1
368.25674	1.6
389.18884	0.9
415.28394	1.1
472.00266	1.0
519.33002	1.5
524.06152	0.9
529.34766	1.2
541.35278	2.5
545.34680	1.4
559.36273	8.2
583.40076	1.2
621.41296	4.1
639.42578	68.8
640.43085	4.9
657.43579	54.2
658.43756	3.4
691.53101	0.9
849.91364	1.0
854.45886	5.8
880.26837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.9
67.05503	24.8
69.03439	9.3
69.06720	2.5
69.07072	26.5
69.70589	13.0
71.04987	2.4
72.06792	1.8
77.54747	1.6
79.05492	17.2
81.03412	5.5
81.07059	21.2
83.04979	3.6
83.08623	6.7
91.05483	14.0
93.07043	16.3
95.04964	8.9
95.08594	11.7
96.83920	2.0
97.02889	8.6
97.06528	4.1
97.10186	11.2
105.07021	12.0
107.04954	10.1
107.08569	13.7
109.06547	2.8
109.10146	7.9
111.08057	2.4
117.07013	5.2
119.05035	2.3
119.08591	10.6
121.06541	3.1
121.10149	6.1
123.08067	4.8
125.09619	9.0
129.06998	2.4
131.08569	7.0
133.06490	3.4
133.10139	4.7
135.08052	4.6
143.08594	2.3
145.10143	6.2
147.08034	5.6
147.11728	2.9
149.13216	2.4
157.10130	2.4
159.11707	3.5
161.09596	1.8
163.11151	2.2
165.09102	2.7
171.11700	2.1
175.11125	2.4
189.11223	4.5
195.13785	1.9
199.11292	2.0
205.12135	2.1
223.13301	19.5
227.12752	5.0
249.14885	4.7
260.88867	2.2
273.18481	17.4
291.19547	100.0
293.21045	2.3
297.73587	1.9
347.22083	2.3
365.23239	55.2
535.33258	2.6
557.34155	2.9
565.86481	2.3
575.36261	2.0
637.41199	3.8
655.42047	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	17.9
61.39484	1.6
65.03922	2.0
66.57923	1.4
67.05503	85.3
68.24344	1.4
69.03419	5.9
69.07061	19.4
70.94081	3.5
71.01356	2.0
71.04982	7.3
73.02901	6.2
79.05061	2.4
79.05491	37.5
81.03415	16.6
81.07056	67.2
83.04982	9.4
83.08614	20.7
85.02903	30.0
85.06534	5.7
87.04443	4.2
88.57841	1.5
91.03967	12.2
91.05475	26.9
91.28725	1.3
93.07040	40.7
95.04959	6.8
95.08598	21.3
97.02898	12.8
97.06520	10.7
97.10172	15.7
99.04417	2.0
99.08086	3.8
102.25737	1.5
103.03960	1.8
105.07023	15.2
107.04948	5.7
107.08597	28.2
109.02840	2.8
109.06505	4.8
109.10156	55.7
111.04514	2.5
111.08061	8.2
117.07034	7.9
119.08564	12.7
121.06567	3.3
121.10130	15.0
123.08079	2.9
123.11666	3.1
125.09611	11.7
127.03882	4.8
129.05460	4.5
129.06953	2.8
131.08592	7.7
133.10150	12.1
135.08122	2.3
135.11681	9.3
137.09612	4.0
143.10626	2.5
145.04927	4.0
145.10091	3.8
147.08047	3.0
147.11655	5.4
149.09605	2.8
149.13268	12.9
151.11200	2.3
153.12729	3.5
155.10612	2.5
159.11696	8.4
161.09676	1.7
163.05997	6.5
163.11174	9.6
165.12753	4.3
173.09489	1.7
173.11777	12.2
175.11214	2.1
177.12691	5.1
181.12195	2.8
190.50838	1.5
191.10646	1.7
193.12257	6.5
195.13821	10.0
199.13286	6.2
209.11746	6.4
211.13266	4.7
227.12813	10.6
229.14345	51.5
239.16377	5.6
256.42773	1.6
265.14221	2.1
267.15903	16.3
269.17474	53.1
283.15372	8.6
285.17020	1.6
301.16449	21.4
313.16397	2.5
323.18521	1.6
393.26172	3.3
405.26419	1.5
411.27142	5.5
423.27423	39.3
431.27966	4.3
449.29105	2.4
477.28421	5.8
495.29507	100.0
496.29596	2.3
513.30597	34.6
513.38232	2.4
657.33069	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	3.7
61.02935	9.8
67.05508	75.4
69.03422	2.3
69.07069	5.2
69.47733	3.3
69.48155	6.9
71.05004	3.0
73.02914	2.7
78.52902	1.0
79.05495	16.5
81.07060	33.2
83.04984	1.2
83.08646	7.1
85.02917	11.8
85.06528	2.3
91.03951	8.5
91.05484	11.7
93.07054	17.4
93.56976	1.3
95.04980	2.9
95.08609	25.2
97.02916	5.6
97.10181	3.4
99.08063	1.3
105.07043	3.9
107.08584	12.8
109.10159	69.5
111.08103	4.0
117.07021	2.2
119.08584	9.5
121.10139	9.2
123.11714	4.4
125.09570	1.7
127.03918	3.4
131.08591	4.9
133.10146	5.5
134.10405	1.1
135.11732	7.4
137.09669	1.5
145.04974	5.3
145.10144	4.2
147.11714	2.7
149.13286	5.0
150.12994	1.3
153.12785	1.2
155.10681	4.4
159.11717	4.2
161.13248	2.8
163.06058	5.8
163.11230	1.7
163.14917	1.6
171.11682	1.2
173.11775	23.5
173.13313	3.1
175.14816	1.9
184.07414	2.7
227.12785	8.5
229.14363	100.0
230.14694	1.6
243.21150	5.0
261.22137	18.6
280.58887	1.3
313.27884	1.5
317.25000	3.1
335.25809	69.0
336.26346	1.7
357.53546	1.1
373.18497	1.1
379.30008	1.8
388.72885	1.2
397.31088	1.9
411.53558	1.3
412.47705	1.2
415.32227	2.9
471.34766	2.7
489.35809	50.6
490.36044	3.3
507.36807	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	827.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	0.8
61.02932	4.2
67.05504	3.4
69.03434	3.3
69.07072	2.6
69.55724	3.9
70.06586	0.6
71.04993	1.6
73.02908	2.7
79.05497	3.9
81.03421	3.9
81.07054	4.9
83.04987	1.2
83.08636	1.4
85.02909	4.6
85.06524	0.6
86.09718	0.5
87.04475	0.7
91.03951	2.9
91.05479	3.3
93.07041	3.6
95.04990	2.0
95.08637	2.1
97.02892	4.0
97.06537	1.7
97.10186	0.9
99.04487	0.8
101.02407	1.9
103.03984	0.6
105.07047	2.4
107.04984	1.6
107.08601	2.4
109.02908	0.7
109.06549	1.5
109.10181	1.1
117.07040	0.7
118.56950	0.6
119.08598	2.3
121.06541	0.5
121.10180	2.3
123.08072	0.9
123.11683	0.6
127.03934	1.5
129.07072	1.2
131.08601	1.8
133.10136	2.6
133.23366	0.5
135.11688	0.6
137.06032	0.6
141.57109	0.5
145.10072	0.6
147.08093	0.6
147.11714	1.6
149.09653	1.8
157.10117	0.8
161.09644	0.5
163.11176	1.2
165.12688	0.6
175.11229	1.1
177.05618	1.0
184.07372	1.6
185.04201	0.8
193.12224	2.5
197.15463	0.8
225.14891	0.7
243.08324	3.7
267.15930	0.9
283.15097	3.7
301.09219	1.1
315.08505	0.9
339.17722	1.2
349.19888	4.3
405.22495	1.3
453.20566	0.6
469.20508	1.3
501.23117	16.9
502.23627	0.9
523.52814	0.5
567.27771	8.5
573.25256	1.5
587.26959	0.8
711.35278	1.1
737.37354	1.4
827.43945	100.0
828.44196	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	2.9
61.02929	8.7
65.03919	0.9
67.05505	48.3
69.03413	1.7
69.07067	4.1
69.40610	4.5
69.41016	1.2
71.04967	2.1
71.08636	13.6
73.02907	2.3
77.65414	0.6
79.05476	0.9
81.03393	0.6
81.06579	0.8
81.07056	10.9
83.08624	8.2
85.02435	0.6
85.02911	10.4
85.06541	2.8
85.10184	7.7
89.06021	0.8
91.03965	6.3
91.05483	3.6
93.07024	1.9
95.04958	0.5
95.08599	11.7
97.02900	4.7
97.10181	2.9
97.17622	0.5
98.20779	1.0
107.08575	0.8
109.10157	54.9
111.08069	2.0
115.03941	0.8
119.08586	3.0
123.11680	2.1
127.03922	2.6
134.23108	0.5
137.09604	2.2
145.04982	3.6
155.10666	2.7
163.05998	4.0
173.11745	18.0
229.14355	100.0
230.14752	0.7
239.23695	1.4
257.24741	1.2
313.27371	71.1
314.27704	1.1
315.28397	0.5
333.03665	0.5
467.37363	62.2
468.37625	1.2
740.38538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71548	6.5
62.08167	6.2
67.05518	72.2
69.07059	15.0
79.05499	52.5
81.07054	70.2
83.04977	18.2
83.08637	10.3
84.25336	6.0
86.09711	17.5
91.05497	48.7
93.07047	51.9
95.04974	13.7
95.08614	38.7
97.10195	8.9
98.21540	9.9
103.01075	5.9
104.57231	5.6
105.07030	42.6
107.04978	10.0
107.08597	35.9
109.02948	5.8
109.06543	7.6
109.10151	34.0
117.07037	9.9
119.08590	12.7
121.06519	6.8
121.10138	14.9
123.11670	8.4
125.00004	12.3
131.08556	15.1
133.10121	46.9
135.08080	7.3
135.11699	11.7
145.10129	11.1
145.61479	6.4
151.11211	15.7
176.04927	7.1
184.07384	51.2
234.42198	6.0
253.14444	27.3
261.22226	6.9
273.18585	24.4
291.19446	31.3
335.25891	87.2
347.22260	9.7
365.23273	33.5
403.87933	7.4
460.51633	6.8
531.36646	25.9
607.43536	8.6
625.44763	100.0
827.55042	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09320	2.7
61.02922	4.8
65.03938	4.5
67.05507	81.4
69.03414	9.2
69.06753	3.6
69.07071	31.3
70.99970	5.4
71.00306	4.3
79.05498	53.8
81.03415	4.4
81.07056	100.0
82.07396	4.5
83.04971	7.1
83.08610	15.8
85.06536	4.3
88.16975	3.2
91.05479	42.0
93.07043	56.4
95.04951	12.9
95.08611	49.9
97.02876	4.6
97.06524	10.4
97.10156	3.5
99.08094	4.1
105.07037	44.5
107.04939	7.3
107.08595	32.8
109.06506	17.6
109.10155	19.4
117.07003	10.5
119.08580	33.2
121.06476	4.6
121.10156	25.1
123.08082	8.4
123.11702	7.9
131.08577	16.6
133.10153	17.0
135.08043	5.9
135.11652	12.8
137.09653	4.9
145.10135	14.7
147.11688	17.1
149.09624	7.7
149.13281	7.9
157.10034	4.0
159.11691	10.4
161.13298	6.9
163.11235	6.1
165.12810	5.2
171.11655	3.5
173.13181	5.9
184.07330	6.0
212.20129	3.1
239.17906	4.3
247.20641	3.1
261.22205	6.9
275.20044	42.8
291.19516	6.5
292.20010	7.1
293.21173	19.1
311.04288	3.3
335.25806	98.0
336.26144	13.1
349.23755	28.6
365.23102	5.8
366.23413	5.5
367.24786	52.6
436.72766	4.2
609.45013	43.2
626.44556	6.5
627.46082	84.6
628.46326	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.2
61.02910	1.1
61.11343	1.2
65.03947	2.1
67.05510	35.1
69.03448	6.1
69.03776	1.1
69.07071	25.0
71.04993	1.7
71.44937	1.2
71.45270	1.3
79.05497	24.3
81.03423	3.5
81.07063	32.9
83.04999	2.7
83.08619	9.3
83.44366	1.2
85.02898	1.1
86.09705	1.4
90.07387	1.0
91.05481	14.6
92.24765	1.1
93.07049	21.8
95.04978	6.2
95.08609	23.0
97.02895	7.0
97.06535	3.6
97.10177	9.8
105.07037	12.4
107.04980	3.9
107.08594	14.2
109.06494	2.5
109.10160	10.4
111.08095	1.3
117.07029	4.9
119.04858	1.2
119.08600	9.9
121.06496	3.0
121.10150	11.7
123.08086	2.6
123.11708	3.5
124.70999	1.0
125.00014	1.5
125.09643	6.5
129.07022	2.7
131.08575	7.8
133.06540	1.5
133.10164	5.8
135.08072	1.4
135.11702	5.6
136.39749	1.2
137.09668	1.9
143.08595	2.7
145.10173	6.1
147.08076	3.7
147.11668	4.5
149.09523	1.4
149.13281	4.5
157.10086	1.9
159.11732	3.3
161.09589	1.8
161.13269	2.3
163.11185	1.7
171.11668	1.1
173.13353	1.5
175.11230	1.5
177.12788	1.2
181.10228	1.2
184.07318	7.9
187.14804	1.3
189.11253	4.5
205.12210	1.2
223.13292	16.3
227.12817	4.4
243.21188	1.6
245.18913	1.3
246.34630	1.0
249.14896	2.6
261.22244	6.8
263.20175	1.7
273.18478	10.8
291.19565	100.0
292.20056	2.2
317.24896	2.6
335.25830	64.4
347.22073	2.0
365.23267	59.3
466.69388	1.2
473.78674	1.1
545.20636	1.2
545.38312	2.3
607.43811	1.9
625.44647	72.6
626.44287	2.5
841.49158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	19.5
57.07078	2.7
59.05003	8.6
61.02924	5.3
65.03949	4.3
67.05507	100.0
69.03442	11.7
69.07069	35.8
70.04364	11.6
71.05003	11.1
71.08655	3.6
73.62849	2.2
79.05054	4.0
79.05499	52.3
81.03422	76.0
81.07060	69.2
83.04996	16.3
83.08624	35.3
85.02902	6.3
85.06559	7.7
87.04481	12.6
91.05488	46.4
93.07049	50.1
95.04977	41.8
95.08604	36.1
97.02888	7.1
97.06541	18.5
97.10176	16.5
98.20775	3.6
99.04482	5.1
99.08134	3.0
105.07039	38.0
107.04977	12.9
107.08595	33.0
109.02911	4.4
109.06535	8.5
109.10159	56.2
111.04436	4.1
111.08075	14.4
117.07001	11.2
119.08591	32.1
121.06528	8.4
121.10146	23.5
123.08082	9.8
123.11777	3.6
125.09628	13.7
129.07018	11.6
131.08582	24.3
133.06508	5.4
133.10127	21.9
135.08086	7.0
135.11722	18.1
137.09644	10.8
143.08566	2.7
145.10120	17.8
147.04442	3.1
147.08032	6.0
147.11714	17.4
149.09630	22.9
149.13309	4.6
151.11203	6.0
153.09079	2.8
155.08557	3.4
155.10667	3.4
157.10095	15.7
159.11729	9.7
161.09644	3.9
161.13356	4.0
163.11174	15.8
165.09174	2.8
165.12724	4.7
169.10110	3.2
171.11665	2.6
173.04420	2.9
173.11749	17.2
173.13182	5.2
175.11217	9.7
181.12230	3.4
183.11707	3.5
184.07135	3.2
185.13322	5.2
187.13217	3.1
189.11206	4.9
191.10727	4.5
191.84044	2.8
193.12253	33.7
195.13808	5.2
197.13339	2.9
199.13304	3.2
209.11794	3.1
211.13368	6.3
223.13374	5.4
225.14867	4.6
227.12804	9.6
229.14359	53.2
241.14372	3.4
243.15981	3.1
249.14954	4.8
255.15906	11.9
257.19150	2.7
267.15918	82.6
268.16434	3.8
269.17557	8.5
273.08459	2.3
273.18564	4.6
275.20047	19.9
291.19623	4.2
293.21249	2.8
315.18182	4.7
349.23849	16.0
350.23831	2.2
365.23636	2.9
367.24960	3.4
369.19730	2.5
403.25049	3.1
409.25909	7.7
421.25812	27.6
423.27295	10.8
435.27301	6.9
447.27408	16.8
459.27527	3.5
461.28696	3.5
477.28925	2.8
503.33783	4.5
509.31467	3.2
521.34497	4.5
541.35382	32.3
557.34576	5.8
559.36700	11.0
607.35956	3.0
663.96405	3.2
732.88129	3.2
822.42072	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	822.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	18.4
57.07065	2.6
57.65368	1.8
59.05009	2.4
61.02929	4.0
65.03931	3.2
67.05506	57.4
69.03429	14.0
69.06718	2.8
69.07070	33.8
70.65209	6.9
70.83069	1.8
71.04993	14.5
73.02934	2.1
79.05495	56.2
81.03419	100.0
81.07063	76.7
83.04988	20.3
83.08624	33.4
85.02912	8.6
85.06545	6.5
91.05483	57.8
93.07052	43.6
95.04981	40.1
95.08054	2.1
95.08609	24.7
97.02904	6.9
97.06535	38.0
97.10165	24.6
99.04431	2.6
99.08097	4.4
103.05479	2.5
105.07030	37.3
107.04976	16.1
107.08591	31.3
109.02894	3.6
109.06541	18.8
109.10157	21.7
111.04469	10.4
111.08086	15.6
115.05448	4.4
115.07559	9.6
117.07017	17.7
119.04962	4.2
119.08582	35.5
120.59697	1.9
121.06525	13.2
121.10152	19.6
123.04410	3.2
123.08078	16.7
123.11692	4.7
125.05991	2.6
125.09625	20.3
127.03931	3.0
129.07002	18.0
131.08572	28.6
133.06485	8.5
133.10153	19.3
135.08055	15.1
135.11673	7.9
137.05972	2.8
137.09616	7.3
141.06996	3.2
142.07823	4.5
143.08560	10.9
145.06500	5.1
145.10139	22.5
147.08038	14.0
147.11688	16.3
149.09630	15.1
149.13246	9.4
151.11156	4.5
153.09114	5.7
153.12781	5.1
155.08546	4.4
157.10133	19.1
159.08070	4.8
159.11717	8.5
161.09686	10.3
163.11198	16.4
165.09102	5.4
165.12666	2.6
168.05402	2.0
169.10168	5.4
171.11713	7.3
173.04536	2.1
173.09662	5.7
175.11176	15.2
177.12733	2.6
181.10030	2.9
181.12254	7.3
183.11699	4.1
185.09772	2.8
185.13275	4.9
187.11180	4.4
189.11281	10.8
189.12794	2.7
191.10655	3.7
193.12256	29.0
195.13776	3.1
197.09698	2.3
199.11168	2.3
199.14891	3.0
211.13333	2.9
213.12646	2.7
217.15878	4.5
219.13693	4.9
223.13153	3.2
225.14822	2.7
227.12727	11.8
229.14342	8.3
233.15347	2.7
245.19025	3.9
249.14877	2.9
255.17632	3.1
267.15921	90.2
268.16293	3.1
269.17575	6.9
273.18463	25.0
274.18854	2.3
275.20273	2.6
289.17874	4.5
291.19562	31.5
307.18909	1.9
309.20584	6.6
347.22101	7.3
365.23291	19.1
369.24161	3.0
383.24216	14.7
421.25671	2.3
435.27216	2.4
443.27872	6.0
447.28149	8.7
461.28946	18.9
463.30417	4.1
465.29907	8.7
483.30942	6.7
493.31329	2.7
499.30499	3.2
501.31583	2.4
517.31757	2.6
521.32123	2.8
529.34869	2.3
535.32416	2.8
539.33618	18.2
540.33752	2.9
557.34778	96.2
558.24500	2.3
558.34363	4.4
575.35840	54.6
576.36475	2.7
589.36847	3.0
607.37494	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	811.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.2
59.05004	0.8
61.02928	3.9
61.42004	0.4
65.03978	0.5
67.05506	3.9
69.03434	2.7
69.07076	2.5
69.93615	2.4
71.01337	0.6
71.04993	1.6
73.02925	4.1
73.11823	0.4
79.05495	3.9
81.03429	5.5
81.07063	6.6
83.05003	1.0
83.08632	1.5
85.02917	5.9
85.06554	0.6
87.04482	1.0
91.03975	2.6
91.05483	3.9
93.07050	2.9
95.04977	2.3
95.08614	2.3
97.02892	4.4
97.06551	1.3
97.10174	0.5
98.20802	0.5
99.04501	0.9
101.02393	1.9
105.07037	3.4
107.04947	0.7
107.08594	2.3
109.02893	0.8
109.06534	1.0
109.10152	0.7
111.08124	1.3
117.07045	0.7
119.08585	2.5
121.06540	0.5
121.10171	2.3
123.08129	0.5
123.11716	0.6
127.03954	1.3
129.07036	1.1
131.08575	2.3
133.10158	1.7
135.11711	0.5
145.10173	0.9
147.08054	0.5
147.11688	2.6
149.09653	2.0
149.13264	0.6
151.11168	0.6
157.10178	1.0
159.11816	0.6
163.11201	0.7
165.12762	0.5
167.07040	0.4
175.11211	1.1
185.04247	0.7
193.12245	2.2
197.15564	0.5
203.05324	0.6
218.47545	0.4
225.14975	0.7
243.08426	3.2
246.00273	0.4
253.14421	0.6
259.07932	0.7
267.16025	1.4
279.06537	0.4
283.15170	3.6
301.09003	0.5
333.20355	3.7
339.17953	1.4
389.23114	0.9
423.20102	0.9
441.21024	0.6
469.20358	1.2
501.23087	19.3
502.23724	1.1
551.28320	8.5
552.28613	0.5
573.25299	0.9
683.36261	1.4
700.95715	0.4
811.44519	100.0
812.44788	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	806.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05837	1.1
57.03435	11.3
59.04995	1.4
65.03934	2.6
67.05507	38.8
67.20373	1.1
69.03426	4.6
69.07073	14.9
69.58300	5.3
69.58725	3.4
71.04998	5.4
75.07716	0.9
79.05496	27.7
81.03420	50.9
81.07059	54.4
82.07397	1.5
83.04990	7.7
83.08626	20.6
85.02907	4.2
85.06539	2.3
85.59537	1.1
91.05482	24.0
93.07049	20.6
95.04971	21.9
95.08611	18.5
95.64038	1.1
97.02896	3.2
97.06532	4.9
97.10153	6.8
98.20754	2.4
99.08105	3.2
105.07036	24.1
107.04944	10.8
107.08601	17.8
109.06526	14.2
109.10159	18.8
111.04469	2.0
111.08079	6.6
115.05507	1.7
117.07027	6.9
119.04954	1.6
119.08590	23.0
121.06493	5.7
121.10148	12.1
123.04463	1.5
123.08084	6.5
123.11713	4.1
125.09633	6.0
127.03912	1.6
129.07043	6.3
131.08601	14.3
133.06500	4.0
133.10133	15.2
135.08052	4.8
135.11700	5.4
137.09625	4.4
141.06987	1.4
142.07817	1.3
143.08589	2.8
145.06482	1.3
145.10126	8.9
147.08095	3.8
147.11696	14.6
149.09628	9.9
149.13263	2.3
151.11185	2.8
157.10141	8.0
159.08090	1.3
159.11665	6.4
161.09659	2.2
161.13290	2.8
163.11180	6.3
165.12758	4.3
169.10132	1.4
171.11713	2.3
173.11813	2.1
173.13286	1.9
175.11197	8.2
177.12790	1.7
179.14500	1.2
183.11714	2.6
184.07330	3.8
185.13307	2.3
187.11298	1.4
187.14911	1.4
189.11249	2.0
191.10869	1.6
193.12263	17.0
197.13269	1.8
205.12297	1.3
211.13197	2.1
223.13329	1.3
227.12828	2.3
229.14351	4.6
229.19464	1.2
249.14955	1.2
253.14357	5.9
257.19034	2.2
267.15930	95.6
268.16269	1.8
273.18530	3.2
275.20117	17.1
291.19531	10.1
293.21066	8.8
301.16556	1.5
349.23651	12.8
365.23239	4.7
367.24811	25.2
381.26486	1.6
449.30289	2.8
458.78052	1.1
461.29016	1.4
467.31519	3.5
485.32642	3.9
519.33264	4.2
523.34326	1.6
541.35254	46.8
552.58667	1.2
559.36328	100.0
560.36517	4.1
573.37482	3.3
583.36230	1.7
591.36176	1.5
719.45874	1.2
806.43225	2.9
807.40540	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42329	0.3
57.03424	0.2
60.05642	0.4
69.03413	1.0
70.06580	0.6
71.59647	0.5
73.02955	0.2
82.99879	0.2
85.02918	1.3
89.89246	0.2
91.86614	0.3
97.02906	1.4
109.02871	0.4
116.98544	0.3
119.01897	1.0
120.95433	0.9
127.03903	0.8
131.01872	0.6
138.96443	1.0
139.28258	0.3
143.01881	0.7
145.03427	0.7
145.04961	0.6
155.01889	0.8
156.97472	2.8
161.02972	1.8
167.01900	0.5
171.00182	0.3
172.95282	0.3
173.02945	2.0
174.98553	4.9
175.04472	0.3
175.11896	1.2
179.01883	0.3
180.97441	6.8
182.99020	0.7
185.02969	2.3
192.97597	0.4
194.99097	0.5
197.02934	0.9
198.00095	0.4
198.98544	100.0
199.98691	1.9
201.00148	0.8
203.04004	1.0
210.96771	0.3
210.98563	3.5
213.00159	1.9
213.07597	0.3
215.04033	0.9
216.99600	49.8
217.99777	0.8
222.00150	5.5
222.02284	0.3
222.98590	1.6
225.00111	1.2
227.03955	0.6
228.99594	10.7
229.99936	0.4
231.01195	0.5
234.98523	4.1
240.01227	2.2
240.99586	14.9
241.99850	0.4
243.01306	0.7
245.05092	6.0
246.05412	0.3
247.00656	2.4
252.01202	0.8
252.99608	3.9
258.00085	0.3
259.00674	11.8
263.06219	0.9
264.99622	0.8
270.02386	0.3
271.00604	1.3
275.06183	0.3
277.01755	3.0
277.04651	0.4
282.02234	1.0
283.00653	9.1
283.03622	0.6
292.00647	0.3
294.93024	0.4
301.01706	24.5
302.01920	0.8
305.07123	0.4
318.93121	0.5
319.02792	8.3
324.03342	0.5
342.04291	1.5
343.02713	0.7
349.46948	0.3
373.03876	0.9
382.04144	0.8
414.08215	0.5
463.07007	72.7
463.57162	0.4
464.07205	2.5
481.07938	3.9
504.09528	1.3
664.43970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.1
57.28554	0.9
61.02903	0.9
65.03942	2.3
67.05508	34.7
69.03441	8.4
69.07073	21.6
71.04984	4.1
71.31393	1.0
71.31734	2.1
73.02905	0.9
79.05057	1.7
79.05499	29.0
81.03425	49.6
81.07064	35.5
83.04990	12.8
83.08629	16.9
85.02895	3.6
85.06535	2.7
87.04455	1.9
91.05487	28.4
93.07054	24.3
95.04973	20.5
95.08057	1.2
95.08617	16.5
97.02907	8.0
97.06548	6.6
97.10186	12.0
99.04479	2.5
105.07038	24.7
107.04964	10.4
107.08604	19.4
109.02876	2.1
109.06527	5.4
109.10168	14.6
111.04464	13.4
111.08080	9.3
115.03925	2.2
115.05463	1.3
117.07036	7.4
119.04945	1.0
119.08587	19.2
121.06532	5.0
121.10155	10.5
123.04452	1.3
123.08074	4.0
123.11700	2.3
123.89802	1.1
125.05988	1.1
125.09634	8.7
127.03934	1.5
129.05519	1.2
129.07030	8.0
130.07841	1.1
131.08583	13.9
133.06502	4.6
133.10139	13.0
134.07245	1.2
135.08064	5.0
135.11693	8.8
137.09645	2.9
141.06992	1.2
143.08565	3.4
145.06520	2.3
145.10132	9.7
147.08073	7.3
147.11707	7.7
149.01172	1.2
149.09637	6.1
149.13266	3.1
151.11215	4.5
153.09154	1.3
153.12750	6.1
155.08598	1.9
157.10129	7.5
159.11693	2.6
161.09636	2.4
163.11215	11.0
165.09052	1.1
165.12703	2.0
171.11702	1.0
173.09586	3.2
173.11824	1.2
173.13234	1.2
175.09976	0.8
175.11229	6.9
177.12680	1.1
181.12263	9.8
183.11703	2.0
187.11229	1.5
189.11256	4.0
189.12784	1.1
191.10646	7.6
193.05020	1.6
193.12247	10.6
195.13754	1.6
196.43571	0.9
199.11266	1.4
205.12244	1.6
209.11739	3.9
211.13326	1.0
213.34860	0.9
219.13786	3.2
223.13310	11.9
227.12772	17.8
233.15378	1.0
241.14417	1.2
245.18936	1.1
249.14880	2.1
253.14395	7.6
255.15855	1.4
257.18942	1.7
263.20013	1.2
267.15942	60.3
269.17468	2.9
273.18600	9.6
275.20053	8.5
283.15372	5.7
291.19565	52.0
292.79736	1.1
309.20795	1.2
313.21579	2.1
315.18085	11.0
347.22202	2.3
349.23734	9.2
365.23270	35.8
437.25089	1.4
445.25919	4.6
459.27328	4.1
463.27042	2.5
477.28348	3.7
483.31046	1.8
495.29465	4.3
509.31204	13.5
539.33698	7.1
557.34778	100.0
558.34845	1.6
575.35901	3.4
589.37494	12.4
607.37714	2.8
700.01691	1.2
804.41211	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.8
57.07060	0.7
58.06592	0.6
60.08168	7.4
69.27714	7.6
71.07381	3.5
82.56049	0.6
86.09709	33.4
98.21493	1.7
98.98472	2.8
101.37461	0.8
104.10728	2.7
115.14824	0.7
117.40620	0.7
125.00014	21.0
125.15617	0.6
139.67943	0.7
143.01016	0.8
182.99347	0.7
184.07352	100.0
185.07626	1.4
216.33731	0.8
343.48862	0.7
690.46442	2.2
723.56274	0.8
790.55988	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	792.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.1
57.03434	7.7
57.07070	1.4
59.73567	1.0
61.02920	2.0
65.03938	2.5
67.05506	49.4
69.07066	12.7
70.63826	1.3
71.48647	2.3
75.14014	1.2
79.05056	2.0
79.05492	27.6
79.31805	1.2
81.06577	2.2
81.07059	45.2
83.04977	1.4
83.08625	4.6
83.43793	1.2
85.02883	2.4
91.05483	15.9
93.07047	34.3
95.04980	3.1
95.08607	34.2
97.06508	2.0
97.10182	2.0
97.19592	1.3
99.08109	1.4
105.07022	13.9
107.08592	19.1
109.10170	14.3
111.08072	1.6
117.07011	6.3
119.08575	11.2
121.10139	16.0
123.11694	6.7
131.08572	9.1
133.10100	8.5
135.11690	9.7
137.13190	1.7
143.08618	2.4
145.10155	8.0
147.11684	6.7
149.13281	6.0
157.10167	1.4
159.11667	6.0
161.13287	7.1
163.14801	4.2
171.11751	1.3
173.13272	7.0
175.14857	2.4
185.13316	1.8
187.14754	1.5
199.14876	1.8
201.16441	1.5
211.14830	1.5
215.17844	1.4
241.19600	1.7
243.21147	4.5
259.20529	7.5
261.22083	17.7
261.24481	2.0
263.23746	2.1
317.24771	3.2
333.24167	6.2
335.25806	100.0
336.26456	1.4
337.27347	10.5
378.75775	1.2
521.43787	2.5
539.44299	2.2
575.49084	1.5
580.34869	1.6
595.47272	16.2
613.48120	15.6
792.53210	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	788.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.3
55.05518	7.7
56.05038	6.6
57.03443	2.3
57.98803	1.4
58.41683	0.9
58.99587	12.2
61.02933	6.2
63.17265	0.8
67.05511	5.5
68.05027	6.0
68.34385	0.8
69.03113	0.8
69.03436	4.2
69.07076	2.1
70.02953	4.3
70.85606	1.7
70.85944	1.5
71.04987	1.6
72.04515	5.8
73.01132	1.5
73.02932	1.5
74.00670	5.8
74.02435	2.2
76.02230	20.2
76.04008	7.0
79.05504	4.9
80.05018	8.2
81.03428	6.7
81.05796	2.5
81.07065	4.2
82.06588	2.7
83.06103	7.9
83.08614	4.8
84.04510	43.6
85.01131	36.4
85.02905	6.7
85.04041	3.6
86.00131	1.3
86.00658	34.0
86.99060	54.2
87.02675	2.3
88.02216	5.8
91.03971	1.7
91.05482	3.5
93.07063	2.2
94.06567	1.1
95.04975	2.2
95.08606	1.2
96.04508	4.8
97.01119	9.1
97.02905	4.1
97.06509	1.7
97.10178	7.0
98.00645	5.0
98.06078	1.8
98.99050	1.1
99.01418	1.6
99.05605	2.3
100.02213	7.7
102.00111	1.1
102.03770	29.7
102.05540	18.8
105.07041	1.3
106.06556	1.3
107.04983	2.8
107.06113	1.4
107.08601	3.7
108.04476	2.2
109.02890	1.2
109.05286	1.3
109.07655	4.0
109.10159	3.4
110.06050	2.9
111.02654	1.1
112.02197	29.8
112.03953	3.7
113.00568	6.2
114.00117	2.5
114.03760	14.7
114.05537	2.7
115.03252	1.3
116.01682	23.8
117.07050	1.4
119.08606	1.6
121.10096	1.6
122.05991	1.0
124.02180	5.3
124.03958	1.1
124.07603	1.2
124.10052	1.0
125.00585	1.9
125.09626	6.2
126.03742	2.9
126.05487	2.2
128.07063	2.0
129.06566	8.4
130.03246	15.9
130.05006	25.5
130.05949	1.9
131.01654	1.2
131.04514	2.7
131.08557	1.1
131.63399	1.1
132.01178	2.7
132.04733	1.3
134.06006	3.1
135.11670	1.0
136.03909	2.3
137.06023	1.5
137.09610	1.1
139.02170	0.9
140.01672	4.1
142.03230	42.3
142.04950	1.8
143.02750	38.8
143.04480	1.8
143.10651	1.2
144.01152	6.9
145.06129	4.2
145.10133	2.0
145.11285	0.9
146.02705	1.3
147.07874	1.0
149.09740	1.0
152.01654	3.0
153.06593	5.1
155.08141	7.0
156.06570	5.8
157.10240	1.0
158.02736	6.8
160.04187	1.3
162.02231	9.2
162.05516	1.7
163.11214	2.1
168.04828	5.8
168.06438	0.9
169.04341	8.6
170.02718	5.2
171.02251	7.3
173.09326	1.9
173.11806	1.6
175.01723	1.4
175.11264	1.5
177.03290	10.2
179.04866	11.7
181.06102	5.8
184.06108	1.9
185.03827	2.8
187.05405	2.0
188.03877	4.4
189.03299	100.0
193.12251	3.3
196.04294	13.3
197.03925	1.2
199.05347	3.6
199.07207	3.9
200.07811	1.1
201.08789	1.3
204.08705	2.5
205.02855	3.3
205.06444	24.9
209.11786	2.2
211.07166	2.1
211.13345	1.3
215.04865	46.1
217.06508	3.3
223.07845	2.4
224.03780	4.4
225.07082	1.1
227.04868	2.7
227.12906	1.7
229.14362	3.0
231.04361	5.4
233.05905	28.7
241.06433	4.3
243.04494	1.8
245.05931	11.1
257.07733	1.5
259.07489	5.8
266.12152	4.3
267.15863	2.3
269.05960	2.6
284.13065	1.7
287.07019	13.6
288.06512	1.3
299.06918	3.3
306.07498	1.3
307.08365	3.2
308.09137	3.7
312.12619	1.2
317.08099	2.4
324.16379	1.0
334.10654	15.6
341.15421	1.5
344.09296	1.1
345.07452	3.0
362.10165	40.0
363.10229	1.4
443.18365	2.0
461.19458	6.1
479.20688	13.0
497.21579	14.2
515.20264	1.3
533.21588	4.0
551.23016	5.0
590.23596	2.3
608.15106	1.5
608.24921	28.6
626.25873	99.9
627.26257	5.5
659.26508	2.4
672.93073	1.0
770.29980	4.4
788.31195	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	779.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05504	1.1
57.03437	1.6
57.07095	0.4
59.04997	0.5
61.02928	3.9
67.05499	4.0
68.07498	0.4
69.03432	2.4
69.07069	1.4
71.01360	0.5
71.05006	0.9
71.08599	0.5
71.20639	0.7
73.02915	4.1
76.62119	0.4
79.05493	3.1
80.05814	0.4
81.03417	3.9
81.07065	4.3
83.05004	0.7
83.08626	1.1
83.22453	0.5
85.02911	5.0
86.09692	0.5
87.04507	0.8
89.25958	0.5
91.03942	2.6
91.05490	3.0
93.07062	3.6
95.04973	1.3
95.08618	3.4
97.02876	3.8
97.06537	0.7
99.04496	1.0
101.02406	2.0
103.03907	0.6
105.07059	1.9
107.08608	1.9
109.02871	0.6
109.10178	1.5
111.08083	0.6
117.07102	0.5
119.08614	1.8
121.10181	2.9
123.11732	0.6
127.03966	1.4
131.08585	1.7
133.10202	1.7
133.21027	0.4
135.11699	0.9
147.11723	1.5
149.09583	2.0
149.13303	0.7
157.10155	0.7
175.11290	1.0
184.07408	1.8
185.04198	0.5
193.12294	1.0
198.30795	0.4
243.08392	2.5
250.78270	0.5
267.15994	0.7
275.20145	0.5
283.15131	4.3
335.25815	0.9
339.17990	0.7
417.14569	0.4
501.23105	13.2
519.29517	5.9
564.39337	0.5
660.31354	0.5
732.00116	0.6
779.45508	100.0
780.45654	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	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
55.05515	42.1
57.03441	18.6
57.07058	2.7
59.05000	2.9
61.02930	4.3
65.03929	3.9
65.16846	0.8
67.05508	100.0
69.03409	4.7
69.07073	19.2
71.01349	1.7
71.04987	4.3
71.08639	1.3
71.59077	1.0
73.02921	1.8
73.06506	1.1
77.11976	0.8
79.05497	41.1
81.03426	6.6
81.07060	64.9
83.04999	5.6
83.08628	17.0
85.02419	1.5
85.02912	20.0
85.06534	4.0
87.04482	7.0
91.03939	1.3
91.05488	26.7
93.07050	46.2
94.07291	0.9
95.04980	7.3
95.08611	47.2
97.02885	5.0
97.06531	3.6
97.09538	1.3
97.10169	22.7
99.08102	1.3
103.03944	1.1
105.07036	16.5
107.04996	2.1
107.08601	27.3
109.06523	3.3
109.10162	55.0
111.04427	1.2
111.08082	3.8
117.07005	7.0
119.08594	16.9
121.06490	0.9
121.09303	1.6
121.10152	20.8
123.08057	2.5
123.11713	5.5
125.08742	1.8
125.09633	24.2
127.54655	0.8
129.06976	1.9
131.08574	12.5
133.10155	12.0
135.08029	1.3
135.11705	14.0
137.09605	3.2
139.11154	2.2
143.08560	1.6
143.10635	3.4
145.10143	10.1
147.11679	8.1
149.09618	1.7
149.13278	6.8
151.11119	1.4
153.12643	1.1
155.10667	2.7
157.10126	2.8
159.11693	4.8
161.13222	5.2
163.11194	6.2
163.14801	3.0
165.12788	1.9
166.73862	0.9
171.11656	2.0
173.11737	18.5
173.13275	6.7
175.11166	1.3
175.14850	1.7
177.12729	1.0
177.16321	1.2
181.12209	1.6
183.11650	0.9
184.07333	1.5
185.13243	2.2
187.14804	2.7
189.11266	1.2
191.10683	2.5
193.12228	2.2
196.39183	0.9
197.13467	1.0
199.13287	11.3
199.14919	1.2
201.16475	1.2
209.11740	2.4
217.14357	2.4
227.12756	6.3
229.14362	56.6
243.21112	3.7
244.92274	0.9
245.13905	3.5
254.41446	0.9
257.13892	1.0
259.20612	1.8
261.22174	13.9
267.15918	5.6
277.21640	1.7
283.15338	2.4
289.11215	0.9
289.21661	2.2
301.16455	18.3
315.23276	1.7
317.24655	2.8
327.23267	1.4
335.25812	80.3
336.26138	2.4
337.25778	1.0
351.25534	1.3
363.25165	3.3
383.76358	0.9
459.34747	2.2
477.35754	11.7
489.35846	17.7
543.36737	4.4
561.37872	9.1
579.39026	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	776.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
55.05516	42.7
57.03444	17.3
57.07064	3.1
59.05004	5.1
61.02918	3.9
65.03925	3.5
67.05510	100.0
69.03433	5.1
69.07081	18.6
70.26844	4.6
70.85104	1.2
71.01347	1.2
71.04987	4.7
71.08632	1.4
73.02908	2.1
79.05498	47.4
81.03426	7.4
81.07061	65.4
81.78898	1.1
83.04975	4.4
83.08624	16.6
85.02911	17.0
85.06554	2.5
85.10159	1.6
86.09712	1.4
87.04472	5.7
91.05487	26.6
91.06028	0.9
93.06473	1.9
93.07053	42.1
95.04974	5.8
95.08616	46.5
95.09229	2.4
97.02882	4.0
97.06519	4.5
97.10177	19.5
103.03916	1.7
105.07033	15.3
107.04942	3.6
107.08603	29.7
109.06535	2.9
109.10161	53.4
111.04440	1.3
111.08088	4.0
111.37786	1.2
117.07024	7.0
119.08582	14.5
121.06526	1.3
121.10153	18.0
123.08083	2.5
123.11705	4.5
125.09630	19.0
129.06960	2.3
131.08588	10.7
132.25708	1.2
133.08568	2.0
133.10130	9.1
135.08049	1.9
135.11703	13.0
137.09612	3.4
137.13196	2.2
139.11186	3.0
143.08551	2.9
143.10675	4.1
145.10130	10.9
147.11661	6.3
149.09601	2.1
149.13242	3.9
151.11098	1.1
153.12747	1.4
155.08359	1.6
155.10655	3.0
155.11948	1.1
157.10103	1.3
159.11693	6.9
161.13260	4.1
163.11185	5.2
163.14799	1.5
169.10083	1.3
171.11639	2.4
173.11739	17.0
173.13269	6.2
175.14876	1.9
181.12241	1.9
184.07361	4.7
185.13292	1.3
187.14900	1.7
191.10680	1.9
193.12248	1.8
195.11630	1.0
197.13249	1.4
199.13290	9.0
209.11768	2.6
211.13136	1.7
217.14337	2.2
227.12772	10.0
229.14365	46.7
241.19431	1.9
243.21146	3.4
245.13922	3.3
257.13815	1.2
259.20663	2.2
261.22165	12.6
267.15909	4.5
277.21658	2.3
283.15305	1.2
289.21545	1.7
299.23642	1.4
301.16501	21.5
317.25037	1.6
335.25818	63.4
336.26245	2.3
363.25464	1.5
391.78439	1.3
459.34708	1.4
463.30399	1.2
477.35822	10.2
489.35873	11.6
543.36481	4.1
561.37958	9.2
579.39050	2.3
665.05603	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.4
55.05512	48.1
57.03436	19.9
57.07067	4.2
59.05006	2.8
61.02914	1.5
62.08691	1.3
62.63151	1.4
65.03944	2.1
66.02116	1.8
67.05504	100.0
69.03427	4.5
69.07063	19.5
69.37672	8.5
69.38100	7.1
71.01362	2.5
71.04981	5.3
71.08620	2.4
73.02897	1.9
77.40165	1.5
79.05492	43.9
81.03403	7.0
81.07059	63.0
83.04957	6.7
83.08617	21.4
85.02906	19.5
85.06528	3.0
87.04440	7.9
91.03920	1.8
91.05481	32.6
93.07047	46.3
95.04977	8.2
95.08604	46.4
95.97706	1.5
97.02884	5.1
97.06512	6.0
97.10171	27.0
97.67345	1.6
105.07026	20.8
107.04947	2.2
107.08591	31.4
109.06505	5.1
109.10154	51.9
111.08102	3.3
117.07008	9.2
119.08558	22.1
121.06518	2.1
121.10142	20.9
123.08015	3.1
123.11704	7.3
125.09635	25.3
129.06955	1.7
131.08568	12.7
133.10149	11.2
135.11658	12.3
137.09633	3.0
139.11182	3.1
139.26117	1.7
143.10718	2.3
145.10162	10.5
147.11676	6.4
149.13266	6.1
155.08560	2.5
155.10620	1.9
157.10103	3.1
159.11684	6.4
161.13257	3.4
163.11177	6.0
163.14828	3.4
173.09586	3.4
173.11732	16.2
173.13264	8.0
175.11177	2.4
175.14792	2.8
176.09901	1.5
177.12820	1.9
181.12285	1.8
185.13246	2.1
187.14803	3.7
189.11176	3.6
193.12178	2.3
199.13293	11.3
201.57817	1.6
203.12627	2.7
208.93277	1.7
209.11703	4.5
211.13292	2.3
217.14372	3.2
227.12822	12.7
229.14345	43.9
240.96193	1.3
243.21147	3.1
243.28748	1.4
244.89572	1.6
245.13818	4.6
259.20551	3.8
261.22168	11.0
267.15851	5.8
275.20059	2.5
277.21466	3.1
299.14874	6.8
301.16409	17.5
302.16180	1.8
315.23373	2.0
317.24768	2.8
319.17670	3.4
335.25815	63.4
336.26074	2.8
337.27325	4.9
451.32297	1.9
469.32999	2.5
477.35947	12.9
486.72958	1.8
489.35699	10.8
525.35474	2.5
543.36731	3.7
561.37939	17.1
579.38446	5.1
754.34778	1.6
777.37909	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.2
55.05512	40.3
57.03439	18.8
57.07075	3.6
59.05022	2.4
59.79127	1.1
60.16126	1.1
61.02926	4.2
61.20357	1.2
65.03947	3.1
67.05506	100.0
69.03427	4.6
69.07066	16.6
69.29350	1.1
70.29157	5.2
71.04994	5.0
71.08618	1.4
73.02887	1.4
77.03896	1.2
79.05492	42.5
81.03420	7.1
81.07058	61.1
83.04975	4.2
83.08621	19.0
83.62971	1.0
85.02909	16.0
85.06540	4.2
86.09693	1.7
87.04469	7.8
89.06038	2.8
91.03992	1.8
91.05484	23.9
93.07047	44.7
95.04973	6.3
95.08611	45.7
97.02892	4.0
97.06522	4.9
97.10176	21.4
98.21481	1.5
99.04444	1.5
99.08069	1.8
105.07024	16.8
107.04962	2.4
107.08595	29.7
109.02121	1.1
109.06497	2.9
109.10157	58.6
111.08129	2.9
117.07026	7.2
119.08581	17.0
121.10139	19.9
123.08060	3.0
123.11723	6.1
125.09627	17.7
129.05408	1.2
129.07039	1.6
131.08546	9.8
133.08583	1.8
133.10124	10.0
135.11699	14.4
137.09665	2.3
137.13304	1.2
139.11168	1.2
143.08704	1.2
143.10684	4.4
145.10130	9.9
147.11700	6.4
149.09622	2.0
149.13284	3.7
151.11133	1.7
155.08588	1.3
155.10681	2.7
157.10210	2.3
157.52499	1.2
159.11664	6.5
161.13264	5.8
163.11234	6.9
163.14842	1.6
169.10126	1.3
171.11726	1.8
173.11748	16.7
173.13281	5.5
175.14804	1.9
177.11253	1.4
177.12683	1.2
181.12213	1.9
184.07396	3.3
185.13306	2.5
187.14911	1.9
189.11295	1.6
191.10681	1.5
193.12277	3.7
197.13295	1.3
199.13286	9.9
199.14816	1.5
209.11723	2.5
217.14362	2.6
227.12708	6.6
229.14354	46.3
241.19542	1.3
243.21193	3.4
245.13844	4.6
259.20520	1.4
261.22165	14.5
267.15869	5.7
289.21384	1.3
299.23651	1.4
301.16483	21.2
315.23221	2.6
317.24799	3.0
335.25812	70.7
348.76999	1.3
353.10779	1.2
363.25366	2.4
451.32452	1.8
459.34634	1.8
477.35593	8.7
489.35818	15.1
507.36014	1.9
543.36713	2.8
561.37775	9.9
579.39111	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	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23956	1.7
55.01862	4.8
55.03011	1.6
55.05265	3.0
55.05515	44.4
57.03439	19.1
57.07067	4.9
59.04995	2.2
61.02902	4.2
63.02358	2.2
63.07095	1.8
65.03939	4.1
67.05508	100.0
69.03426	3.8
69.06784	1.5
69.07075	21.4
71.01331	2.0
71.04979	3.5
71.08627	1.9
71.58998	2.5
73.02911	1.7
74.22787	1.6
79.05497	43.2
81.03406	6.7
81.06577	3.6
81.07062	70.1
83.04973	6.2
83.08625	19.8
85.02913	17.6
85.06541	2.8
87.04472	9.7
91.05476	28.5
93.06470	2.7
93.07046	40.3
95.04955	6.8
95.08611	37.0
96.40212	1.5
97.02872	3.9
97.06531	3.7
97.10178	24.9
105.07039	15.9
107.04935	3.5
107.08599	30.8
109.06499	4.6
109.10160	43.6
111.08070	3.6
117.07019	6.5
119.08588	15.8
121.06493	2.4
121.10149	19.5
123.08119	3.2
123.11714	2.4
125.09639	19.3
129.07019	2.7
131.08591	10.7
133.10136	9.8
135.11673	13.5
137.09633	2.7
139.11211	2.3
143.08560	2.4
145.10109	10.1
147.11716	5.3
149.09625	2.6
149.13252	3.1
151.11258	2.3
153.12688	2.8
159.11685	5.0
161.13255	4.7
163.11160	5.0
163.14694	2.2
171.11647	2.1
173.11726	12.3
173.13274	5.0
175.14729	3.0
177.11328	2.4
184.07338	2.4
185.13297	1.9
193.12254	3.3
199.13242	10.1
209.11716	3.3
227.12776	6.9
229.14372	29.4
241.14377	1.8
241.19556	2.2
245.13803	4.1
261.22189	8.1
267.15939	3.9
277.21658	3.7
289.21783	2.2
299.14810	3.2
301.16516	16.2
335.25830	50.1
337.27377	5.6
363.25385	2.6
477.35757	10.3
489.35614	5.6
543.36407	4.1
561.38092	13.4
579.38800	2.9
777.36896	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	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05261	1.4
55.05511	19.2
56.63511	0.6
57.03440	18.8
57.07056	1.6
57.79878	0.7
59.05002	1.2
59.07755	0.6
61.02935	1.5
65.03934	2.9
67.05505	59.8
69.03437	3.7
69.06715	1.3
69.07069	15.3
69.58221	4.3
69.58640	1.4
71.04995	4.6
71.08652	1.1
79.05494	38.8
81.03419	90.2
81.07056	61.4
82.03766	1.0
83.04981	8.0
83.08138	1.5
83.08620	23.9
84.93706	0.7
85.02901	1.8
85.06550	2.3
91.05477	33.1
93.07044	50.1
94.07391	0.7
95.04968	30.0
95.08607	43.3
96.05295	0.7
97.02882	2.9
97.06531	4.1
97.10156	7.9
99.08084	1.9
102.33089	0.7
105.07034	28.0
106.13911	0.7
106.22800	0.7
107.04948	6.8
107.08596	26.4
109.06517	5.7
109.10155	19.9
109.82718	0.6
111.04440	3.0
111.08086	8.2
113.09644	0.7
115.05453	1.3
116.34676	0.6
117.07018	9.6
119.04981	1.2
119.08583	25.8
121.06487	4.7
121.10139	24.1
123.04453	1.8
123.08105	3.8
123.11711	8.3
125.09617	4.8
128.06174	1.2
128.69336	0.7
129.07005	10.9
131.04994	1.0
131.08560	18.4
133.06535	3.3
133.10133	13.8
135.08066	2.4
135.11696	12.1
137.09587	2.8
137.13263	2.0
141.06958	1.0
142.07811	2.5
143.08553	2.7
145.10138	9.7
147.08057	3.8
147.11687	15.3
149.09595	5.4
149.13251	7.2
155.08649	0.8
157.10124	11.7
159.11694	6.5
161.09573	0.7
161.13213	5.1
163.11165	3.0
163.14813	3.2
165.12750	2.5
169.10083	1.3
171.10336	0.8
171.11717	2.2
173.09598	1.1
173.13248	6.6
175.11205	9.8
175.14864	2.6
177.12762	1.2
177.16389	1.1
179.14267	0.8
180.46883	0.7
180.60396	0.7
183.11700	1.2
184.07312	2.4
185.13290	2.0
187.13391	0.8
187.14854	2.9
189.11253	3.4
191.10622	0.8
193.12254	23.2
197.13188	0.9
199.14896	1.2
201.16397	1.7
205.12184	0.9
206.05710	0.7
209.13364	0.7
211.13264	2.2
227.12785	8.0
234.96834	0.8
235.13274	1.5
243.15927	1.0
243.21075	5.9
247.17038	0.8
249.14896	1.8
259.13351	0.9
259.20438	1.2
261.22141	15.9
267.15915	100.0
268.16263	2.7
279.23352	1.0
281.07034	0.7
285.22061	0.7
299.23700	1.1
301.25146	5.8
309.17017	2.2
317.24786	2.9
329.24731	0.8
333.24127	0.9
335.25800	74.7
336.26111	3.4
340.91849	0.7
359.25830	1.3
417.26270	1.2
417.31296	1.5
421.25818	2.4
435.27283	2.4
435.32608	5.3
449.28860	1.0
453.33688	8.6
461.28799	1.0
471.34943	4.2
509.36264	2.4
527.37323	64.3
528.37793	3.6
545.38373	59.6
545.45569	1.2
546.38428	4.5
559.39734	2.3
569.38281	4.5
577.40814	1.7
593.38446	0.9
611.38257	0.9
623.39398	1.2
635.38928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.2
55.05511	12.3
57.03440	11.4
57.07078	3.0
59.04946	1.9
65.03925	3.1
67.05506	52.1
69.07076	10.8
69.37711	14.9
71.04988	3.7
79.05495	28.8
81.03407	2.9
81.07057	44.1
83.04981	29.2
83.08630	7.8
85.02883	3.9
85.06525	3.2
87.04463	2.8
91.05483	17.3
91.58395	1.5
93.07047	39.4
95.04981	3.8
95.08047	2.8
95.08606	31.7
97.02871	1.8
97.06512	6.9
97.10172	2.3
99.04457	4.8
99.08096	3.0
105.07030	9.5
107.04933	4.1
107.08607	19.1
109.10146	17.2
111.04443	58.2
111.08076	16.5
115.03934	7.3
117.07002	6.8
119.08572	14.5
121.06497	2.9
121.10146	28.4
123.11726	3.3
124.99994	1.6
125.05994	4.2
129.05453	2.1
129.06998	3.0
131.08574	12.3
133.10103	5.4
135.08162	1.5
135.11684	26.7
145.10118	20.0
147.11684	5.8
149.09579	4.9
149.13255	3.3
153.12743	25.0
159.11723	2.7
161.13248	1.7
163.11185	38.3
163.14832	2.3
164.11583	1.7
173.09599	6.9
173.13245	2.9
181.12230	42.8
184.07312	4.7
191.10674	34.6
209.11700	14.7
227.12778	42.1
241.14400	9.1
243.21049	4.3
261.22076	13.9
273.14978	2.0
283.15417	21.5
315.18039	100.0
316.18152	2.1
317.24622	2.8
335.25809	94.2
336.26141	4.5
350.37531	1.7
367.36359	1.8
484.43591	1.6
543.36603	6.2
561.37885	14.6
575.39484	61.7
576.39398	3.5
593.40564	2.5
603.17395	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61039	2.6
55.01872	7.6
55.05511	26.5
57.03448	11.9
57.07078	2.7
61.02914	3.3
65.03940	2.6
66.23126	2.0
67.05504	60.6
67.18457	2.2
69.03428	5.8
69.07068	25.6
70.23341	8.1
71.04993	7.6
79.05057	3.6
79.05498	52.2
81.03420	51.0
81.07059	100.0
83.04975	14.4
83.08614	26.4
85.02892	20.6
85.06520	2.7
86.09720	2.6
91.05483	51.4
93.07040	40.7
95.01331	3.2
95.04971	33.0
95.08605	31.2
97.02911	6.6
97.06526	14.1
97.10186	7.3
99.08097	3.3
105.07035	48.3
107.04993	15.4
107.08590	24.2
109.06534	21.6
109.10171	13.7
111.04477	2.6
111.08092	9.0
113.06053	4.1
117.07024	12.3
119.08592	38.1
121.06503	8.0
121.10152	21.1
123.04478	2.1
123.08079	9.9
123.11726	5.4
125.09641	6.7
127.07564	2.3
129.07002	9.6
131.08577	21.3
133.06494	4.1
133.10129	25.4
134.12752	2.0
135.08066	7.0
135.11714	9.2
137.09595	6.1
142.07758	2.7
143.08614	5.2
145.10104	14.5
147.04379	2.3
147.08067	5.0
147.11690	24.1
149.09659	10.4
149.13266	6.8
151.11232	2.8
155.08553	4.8
157.10146	16.8
159.08099	2.1
159.11734	9.5
161.13268	4.9
163.11208	7.7
163.14619	2.4
165.03888	1.9
165.12743	4.5
169.10136	2.8
171.11668	2.4
173.13255	5.5
175.11215	14.2
184.07423	9.2
193.12257	26.2
200.15704	2.1
211.13284	29.9
223.13409	2.6
227.12836	2.9
229.19696	2.5
247.20647	2.8
249.89606	2.2
255.15863	3.5
257.18921	4.7
267.15903	30.5
269.17554	8.4
273.18588	3.7
275.20062	41.8
285.16959	42.9
285.19824	3.8
291.19464	3.1
293.21161	13.0
349.23770	24.0
367.24753	26.5
420.88821	2.1
461.28986	10.5
467.31488	3.2
479.29959	4.0
541.35242	40.9
559.36273	61.8
577.37451	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.4
55.05517	28.8
57.03440	21.2
57.21959	1.5
57.41028	1.4
59.04705	2.0
59.05005	33.2
61.02925	1.8
64.83553	1.5
65.03944	5.8
67.05508	88.7
69.03431	6.3
69.07066	11.7
70.06598	5.7
70.28214	1.6
71.01344	2.1
71.04700	1.4
71.04997	16.5
79.05497	41.8
81.03423	100.0
81.07062	44.6
83.04990	16.4
83.08625	27.3
85.02908	8.6
85.06552	6.2
87.04473	38.2
91.05489	38.6
93.07053	35.9
95.04369	2.0
95.04973	37.8
95.08598	18.9
95.65164	1.4
97.02898	6.7
97.06547	9.2
97.10175	18.6
98.21478	4.4
99.04441	10.0
103.05513	2.8
105.07037	26.0
107.04964	19.9
107.08600	24.0
109.02876	5.3
109.06504	10.1
109.10165	61.3
110.10527	1.9
111.04433	9.6
111.08082	17.4
115.05464	3.3
117.07024	9.9
119.04953	4.6
119.08588	26.0
121.02892	3.8
121.06500	9.8
121.10148	20.0
123.04452	5.5
123.08094	5.1
123.11740	2.6
125.02392	1.6
125.06001	3.1
125.09621	16.0
127.03931	2.4
127.07533	1.5
129.05545	1.8
129.07027	17.9
131.04871	2.5
131.08568	22.1
133.06523	7.0
133.10135	17.2
135.04414	6.2
135.08070	6.5
135.11650	8.1
137.05995	5.6
137.09659	3.8
141.07008	1.9
142.07796	5.1
143.08557	3.1
145.02841	2.1
145.06494	3.1
145.10150	9.7
147.04419	4.5
147.08035	10.3
147.11678	16.2
149.05986	2.7
149.09631	22.1
153.09131	5.2
153.12767	8.0
155.08575	2.3
155.10699	2.2
157.10149	15.6
159.11763	3.2
161.05986	3.5
161.09618	2.9
163.07523	2.3
163.11180	17.1
165.05359	1.9
165.12782	4.2
167.07092	4.1
167.08449	1.6
171.11775	2.2
173.09677	2.9
173.11777	13.2
175.11189	17.7
181.12247	9.9
183.11729	2.2
185.09612	1.6
185.13289	2.3
189.11230	14.7
189.12756	2.7
191.10681	8.5
193.10542	2.6
193.12245	54.6
195.11914	2.1
195.13911	1.8
197.15434	3.5
199.13326	6.9
201.12741	2.8
203.14293	4.0
205.10323	1.7
205.12225	4.2
207.13872	2.8
209.11713	13.4
211.11394	2.2
211.13301	50.0
217.14320	1.8
219.13857	3.9
223.13300	5.3
225.14874	10.8
227.12781	20.1
229.12137	4.0
229.14362	50.4
229.16544	3.1
231.13852	4.9
233.11815	1.7
235.13361	6.0
241.14281	2.5
247.13312	9.4
249.14888	21.1
250.14876	1.8
251.12903	2.3
259.13104	2.3
259.15561	2.8
263.16431	2.3
265.14420	2.9
267.15930	72.6
273.17294	2.0
277.14294	3.1
283.15387	14.8
287.16431	1.9
301.14325	3.0
309.16956	4.5
315.18018	5.3
321.17239	1.9
337.21692	5.8
347.19971	2.8
355.22653	6.6
365.21127	10.7
373.12402	1.8
373.23672	4.8
383.22192	26.8
401.23386	19.9
403.24738	2.0
409.26324	1.8
415.24661	4.4
419.24445	4.8
421.25952	39.2
433.25925	8.0
447.27490	5.0
457.25992	5.8
459.27536	2.8
475.26962	26.1
489.28574	1.9
493.27930	7.2
507.29605	27.2
517.28198	2.7
525.30634	7.4
547.28607	2.1
591.79041	1.8
651.33093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.8
55.05513	39.6
57.03437	25.3
59.05001	30.7
61.02908	2.6
65.03945	3.5
67.05506	89.8
69.03425	8.4
69.07063	11.5
71.04994	18.2
71.60611	2.4
71.60976	3.0
79.05493	51.2
81.03421	100.0
81.07062	52.2
83.04996	16.7
83.08630	39.5
85.02907	10.7
85.06548	6.5
87.04461	35.7
91.05479	55.7
93.07049	39.2
93.07619	3.2
95.04382	2.6
95.04974	49.1
95.08607	20.8
97.02907	10.3
97.06529	10.4
97.10169	17.0
99.04463	10.1
99.08144	3.3
105.07028	27.8
107.04948	19.4
107.08573	28.2
109.06526	12.8
109.10162	53.1
111.04430	14.3
111.08099	11.1
116.06256	2.7
117.07050	10.8
119.04918	3.2
119.08594	26.0
121.02878	5.6
121.06507	12.2
121.10138	28.8
123.04433	8.6
123.08102	7.0
124.08498	2.2
125.09618	16.9
129.06998	19.6
131.04878	2.5
131.08603	25.3
133.06506	8.9
133.10138	19.8
135.04436	7.6
135.08067	7.6
135.11676	11.4
137.05998	6.4
137.09637	5.4
138.21634	2.4
141.07013	5.3
142.07834	3.3
143.08627	4.3
145.06526	5.5
145.10152	10.2
147.04459	5.8
147.08054	9.4
147.11702	18.3
149.06003	5.1
149.09621	20.2
151.07645	3.3
153.09114	5.3
153.12749	10.0
155.08490	2.8
155.10663	2.9
157.05089	2.9
157.10129	20.8
159.08051	3.2
159.11687	3.3
161.05991	5.8
161.09692	3.1
163.11221	16.6
165.12820	5.6
167.07054	3.5
167.10648	3.7
169.10216	3.3
173.09669	5.7
173.11755	11.4
173.13181	3.1
175.07523	3.5
175.11206	20.8
181.12263	8.5
183.11713	3.8
185.13290	3.0
187.07600	3.5
189.11217	8.9
191.10730	8.0
193.12260	56.1
199.13315	8.6
201.12741	2.9
203.14365	3.9
209.11781	10.0
211.13301	48.4
219.14027	3.1
223.13252	4.4
225.14896	10.7
227.12737	20.4
229.14322	31.6
231.13814	7.2
235.13344	4.4
237.23976	2.4
247.13333	9.8
249.14803	19.1
253.14401	3.4
259.13120	3.2
267.15915	57.4
273.14816	2.5
283.15390	14.2
291.19205	2.7
309.17029	4.2
315.18002	5.1
337.21613	5.8
355.22778	8.8
365.21167	8.7
373.23734	5.9
383.22293	26.3
401.23373	24.3
415.24930	4.2
419.24017	2.9
421.25909	36.1
433.25726	10.9
447.27332	4.9
457.25684	9.9
475.26999	25.0
489.28333	2.8
493.27930	10.6
507.29550	29.7
525.30518	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	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.9
55.05520	10.1
57.03419	3.3
57.07069	1.0
61.02649	0.9
61.02934	14.7
64.51183	0.8
65.03917	1.0
65.89110	0.9
67.05171	1.3
67.05511	19.1
69.03429	5.8
69.07071	7.8
71.01340	1.2
71.04997	2.1
71.59156	0.7
71.59597	1.6
73.02922	7.3
74.97506	0.8
78.95573	0.8
79.05502	13.1
81.03420	2.7
81.07063	16.8
83.08620	6.3
85.02909	11.6
85.06548	1.2
91.03967	7.2
91.05487	11.1
93.07059	12.2
95.04971	2.5
95.08619	16.2
95.61644	0.8
97.02895	9.6
97.06529	2.1
97.10179	2.6
99.04462	1.4
101.02377	2.2
103.34084	0.8
105.07040	12.1
107.04918	1.3
107.08603	10.3
109.06524	2.1
109.10162	6.1
115.03937	0.8
117.07023	5.6
119.08607	9.2
121.10156	5.8
123.08038	1.2
123.11723	1.8
125.09682	1.1
127.03928	2.6
128.06270	1.8
129.07039	6.3
130.07843	1.0
131.08572	8.2
133.10112	6.7
135.11699	3.0
139.11215	1.0
141.07019	3.3
142.07840	1.9
143.08560	10.7
145.10136	11.0
147.11726	4.5
149.13271	1.6
153.06990	1.2
154.07767	1.8
155.08524	6.6
157.10138	10.3
159.11719	7.4
161.09596	0.9
161.13283	3.2
166.07779	0.9
167.08565	3.7
168.09395	1.3
169.10132	10.7
171.11699	8.3
173.13214	4.6
175.11349	0.8
175.14795	1.5
179.08534	1.8
181.10129	5.4
183.11713	8.5
184.07396	1.3
185.13295	4.5
187.14819	3.1
189.16345	0.8
193.10161	1.8
195.11685	5.3
196.12552	0.8
197.13286	8.1
199.13191	0.8
199.14818	3.3
201.16393	0.8
205.10202	1.0
207.11679	2.2
209.13232	4.9
211.14870	5.5
213.16423	2.8
219.11850	1.2
221.13350	2.4
223.14755	3.9
225.16417	3.5
227.17924	1.6
229.19594	0.9
234.52466	0.8
235.14726	0.9
237.16444	2.8
239.17931	2.3
241.19724	1.1
251.18002	2.2
261.16483	1.5
263.17950	1.2
265.19656	1.5
275.20309	1.2
279.20862	0.9
321.22226	0.9
323.23557	1.2
327.23175	1.4
365.28336	1.4
517.40405	5.0
527.37915	1.1
535.41290	3.3
539.37427	2.0
541.38812	0.9
545.37866	3.6
591.44092	6.3
607.43329	1.3
609.45178	100.0
610.45459	7.8
651.45697	1.4
735.47888	1.2
753.49530	1.2
764.27240	0.9
771.51080	21.0
772.50616	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
54.46996	0.5
55.01862	0.8
55.05511	1.6
57.03428	1.8
58.36066	0.5
59.05003	1.4
61.02922	4.1
67.05506	2.5
69.03426	3.2
69.07063	1.4
70.06601	0.7
70.86401	0.9
70.86745	1.0
71.01351	0.9
71.05001	2.3
73.02937	2.6
79.05504	4.3
81.03416	6.6
81.07072	3.9
83.05001	1.5
83.08641	1.7
85.02908	4.6
87.04462	0.8
91.03970	2.4
91.05478	4.9
93.07056	3.7
95.04971	2.2
95.08627	2.1
97.02891	4.5
97.06599	0.8
99.04449	1.3
101.02371	1.9
103.05495	0.7
105.07038	4.4
106.85616	0.6
107.04947	1.4
107.08613	1.7
107.20325	0.6
109.02901	1.6
109.10180	1.6
109.60623	0.6
111.04432	0.6
117.07050	0.7
119.04950	1.2
119.08607	2.1
121.06554	0.8
121.10149	3.1
123.08088	0.7
127.03919	1.1
129.07034	1.4
131.08574	2.7
132.08856	0.6
133.10182	1.7
137.06017	2.6
137.09703	0.6
142.07722	0.9
147.08051	0.6
147.11707	2.2
149.09642	3.8
151.03967	1.1
153.05467	0.7
157.10167	2.3
161.06079	0.8
161.09741	0.7
163.11243	0.7
167.07079	2.1
175.11292	2.0
177.05588	0.8
181.05034	1.1
191.07086	0.8
193.08813	0.8
193.12279	3.2
197.15408	0.9
209.08299	0.7
225.14961	1.0
243.08289	2.8
267.16022	2.0
283.15134	7.7
316.06036	1.5
331.08002	4.0
339.17807	1.2
413.17941	1.2
441.21201	0.8
501.23080	36.1
502.23224	0.7
514.01489	0.7
599.33643	0.9
657.30811	2.0
671.32819	2.8
761.39307	100.0
762.39380	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	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01862	3.5
55.05509	22.0
57.03436	21.2
57.35535	1.2
59.04990	1.3
61.02934	1.6
65.03945	3.6
65.34044	1.2
67.05504	71.7
69.03424	4.2
69.07063	18.8
69.27718	8.9
69.28133	5.2
71.04984	4.3
71.08633	1.6
73.02898	1.5
79.05491	51.8
81.03418	100.0
81.07056	68.5
81.53538	1.1
82.07396	1.9
83.04981	8.4
83.08619	23.8
85.02908	3.7
85.06547	3.5
86.09696	1.6
91.05479	40.1
92.05816	1.3
93.07046	55.2
95.04971	30.0
95.08604	43.5
96.08939	1.8
97.02882	4.9
97.06516	5.2
97.10161	10.4
99.08080	2.0
103.05460	1.3
105.06379	2.4
105.07032	30.0
106.07378	1.3
107.04959	7.8
107.08598	32.0
109.06538	6.7
109.10156	20.6
110.10439	1.6
111.04436	2.0
111.08073	8.3
115.05498	1.7
117.07027	10.0
119.08575	26.3
121.06483	4.3
121.10134	28.1
123.04438	2.0
123.08073	3.0
123.11703	6.9
125.00009	1.8
125.09626	4.8
127.14096	1.3
128.06175	1.2
129.07007	12.9
131.08572	22.3
133.06451	3.2
133.10124	17.7
135.08063	2.5
135.11708	13.2
137.09601	3.7
137.13219	1.4
139.11188	1.9
142.07771	2.7
143.08568	3.3
145.10118	12.0
147.04364	1.3
147.07994	2.4
147.11687	14.7
149.09602	7.6
149.13232	7.9
151.11185	1.2
153.09225	1.4
155.08588	1.6
157.10136	12.9
159.11682	8.7
161.13271	6.5
163.11128	2.9
163.14810	2.5
165.12775	1.3
169.10143	1.4
171.11644	2.3
173.13297	6.0
175.11156	9.8
175.14859	3.0
177.12762	1.7
177.79996	1.2
184.07346	4.6
185.13388	1.3
185.37135	1.1
187.14865	1.7
189.11220	2.9
193.12245	21.7
201.16501	1.8
211.14944	1.8
213.16356	1.8
227.12769	5.6
235.13185	1.5
243.21092	5.3
249.14844	2.5
259.20334	1.5
261.22095	16.0
262.22470	1.4
267.15909	85.5
279.23346	1.8
285.16949	2.0
301.25262	5.0
309.17114	2.4
317.24854	2.4
333.24228	1.5
335.25793	67.9
336.26160	2.9
337.27173	2.2
421.26093	1.6
435.27432	2.9
435.32535	7.6
453.33408	7.6
463.30313	1.4
471.35086	5.8
475.86450	1.6
509.36087	2.3
527.37323	54.0
531.36975	2.0
545.38336	57.3
546.38513	3.3
563.39581	8.3
569.38202	3.1
696.68311	1.4
761.40900	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	758.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
54.19301	2.4
55.05516	11.5
57.03430	7.5
57.07067	3.5
57.47850	2.6
61.02923	5.8
67.05509	79.5
69.03421	2.6
69.07064	9.5
70.03311	5.1
70.03731	9.1
71.04996	19.2
71.13328	2.2
79.05495	29.9
81.06580	5.1
81.07063	100.0
83.04991	4.5
83.08602	7.7
85.02872	3.1
85.06541	9.6
91.05493	30.7
93.07056	48.8
95.04952	4.7
95.08609	29.9
97.06526	3.4
97.10149	2.8
98.20783	2.3
105.07033	18.5
107.08588	22.8
109.06409	2.2
109.10136	18.7
111.08058	3.7
117.07024	6.8
119.08582	10.4
120.07965	2.1
121.10136	17.9
123.11732	13.5
126.78128	2.5
131.08566	9.5
133.10129	23.0
135.11703	8.7
145.10078	6.6
147.11668	4.6
149.13229	6.6
151.11174	10.4
156.04205	6.0
159.11653	6.0
161.13275	3.3
173.13255	3.9
183.13762	2.9
187.13373	3.7
206.90341	2.3
222.64673	2.3
261.22098	3.0
269.17471	3.1
275.24158	2.4
301.20093	19.4
335.25851	22.0
374.33716	2.6
380.65244	2.8
485.36133	2.9
503.37341	83.6
504.37720	6.3
529.38666	16.2
561.41553	87.2
562.42047	6.2
635.92670	2.6
743.15460	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	760.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
53.48822	1.6
55.01874	3.7
55.05509	27.2
57.03175	2.2
57.03438	21.0
57.07061	4.1
61.02917	2.3
65.03930	2.7
65.51543	1.5
67.05505	75.4
68.05830	1.8
69.03426	5.6
69.07069	19.8
71.04990	5.0
71.32274	3.4
75.00432	1.6
77.03947	2.2
79.05495	52.5
79.05959	2.9
81.03417	100.0
81.07057	83.2
83.04987	8.1
83.08617	24.5
85.02888	4.4
85.06526	2.7
86.09700	5.8
91.04896	2.0
91.05475	43.9
93.07045	66.1
95.04977	35.8
95.08608	52.9
97.02889	4.0
97.06521	4.3
97.10131	8.2
105.07026	34.8
107.04963	11.7
107.08588	35.9
109.06512	6.7
109.10153	26.6
111.04414	2.9
111.08078	7.1
115.05436	1.9
117.07027	9.9
119.08582	29.9
121.06518	5.1
121.10139	27.8
123.04463	2.4
123.08060	4.9
123.11705	8.1
124.99984	2.4
125.09624	5.0
129.07016	8.6
131.08565	24.7
133.06477	3.5
133.10138	20.8
135.11678	16.9
137.09662	3.7
137.13254	2.7
142.07819	2.9
143.08603	3.4
145.10143	15.2
145.18448	1.7
147.08008	5.6
147.11684	19.5
149.09615	7.3
149.13251	7.5
155.08527	2.3
157.10127	14.2
159.11676	9.7
161.13255	6.8
163.11153	3.9
163.14836	4.5
165.12756	2.5
169.10210	1.8
173.13261	6.5
175.11171	9.7
175.14763	2.3
177.16335	2.0
184.07358	16.9
185.13351	2.4
187.14850	4.8
189.11195	4.6
193.12242	27.5
199.14732	1.7
211.13252	2.6
227.12793	6.5
243.21072	6.8
249.14880	2.4
259.13239	2.7
259.15839	1.9
261.22168	20.0
267.15909	99.2
268.16245	2.0
285.16949	2.4
285.22144	2.1
301.14417	1.9
301.21732	1.9
301.25208	6.3
309.16882	1.8
317.24756	4.1
335.25800	90.7
336.26114	4.0
399.28003	1.6
417.26175	2.1
421.25891	2.1
435.27225	1.9
435.32529	4.6
453.33685	9.5
471.34607	5.9
509.36142	2.5
527.37292	66.3
528.37354	4.4
545.38397	60.7
546.38483	4.4
563.39038	5.3
569.38135	4.7
611.48456	1.8
760.43024	4.9
761.40320	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01878	5.8
55.05269	1.4
55.05511	16.2
57.03438	11.5
57.07074	2.7
61.02921	5.4
62.21943	1.1
65.03936	2.1
67.05506	58.5
68.05817	2.0
69.03432	2.7
69.07068	15.7
71.01348	1.6
71.04990	4.3
71.08630	1.4
71.59622	2.5
79.05496	45.3
81.03003	1.7
81.03419	10.2
81.07061	58.3
83.04987	18.8
83.08632	9.4
85.02883	5.6
85.03349	1.4
85.06532	3.1
86.09698	1.7
91.05481	21.7
93.07051	51.0
95.04956	8.7
95.08607	35.4
97.02873	5.5
97.06526	7.9
97.10155	3.1
99.04465	3.3
99.08080	2.8
105.07041	15.8
107.04953	7.8
107.08601	29.8
109.06506	4.4
109.10164	21.2
111.04443	31.2
111.08070	10.1
111.11739	2.1
117.07019	9.4
119.08591	14.5
121.06502	3.7
121.10154	34.4
123.08062	2.7
123.11699	3.7
125.06039	1.8
125.09667	2.4
127.03989	1.4
129.07007	2.9
130.80438	1.2
131.08557	14.3
132.09187	1.1
133.10127	8.7
135.08015	2.5
135.11693	25.2
137.09573	2.3
137.13226	2.0
139.11171	5.3
143.08563	2.6
145.06508	1.3
145.10118	18.6
147.08049	2.1
147.11670	7.5
149.09602	5.3
149.13219	4.5
153.12764	18.7
155.08585	2.5
157.10173	1.9
159.11691	6.5
161.13222	2.6
163.11206	31.1
163.14857	2.7
173.09584	7.1
173.13280	3.0
174.44655	1.1
175.11282	1.1
181.12242	25.5
184.07355	4.7
185.11745	1.8
187.14865	2.6
191.10687	21.9
203.12691	1.4
209.11742	14.3
227.12807	28.3
227.96732	1.4
243.21077	5.9
245.13867	11.1
259.20642	1.6
261.22137	13.3
265.14301	1.5
267.15979	3.6
275.19858	1.9
283.15433	49.3
301.16473	70.9
317.24753	3.6
335.25815	89.5
336.26102	2.8
351.25443	2.2
433.31119	1.7
487.33997	1.7
525.35553	2.9
543.29315	2.0
543.36859	27.4
546.01270	1.4
561.37903	100.0
562.38049	3.7
574.65674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01875	4.1
55.05513	20.4
56.05040	18.7
56.85524	0.9
57.03443	8.1
57.07064	1.4
58.02962	12.4
59.03737	1.1
61.02925	11.8
64.10683	1.1
65.03951	1.9
67.05509	40.7
68.05028	3.3
69.03439	7.5
69.05825	1.5
69.07074	11.4
70.02958	1.3
70.06599	7.0
70.16066	3.0
71.04995	1.9
71.89201	1.1
72.04520	66.3
72.08124	0.9
73.02911	4.4
73.05310	1.4
74.06079	4.1
74.19511	1.1
79.05498	26.3
80.05025	2.6
81.03419	6.0
81.07063	38.0
82.06582	4.3
83.04986	4.7
83.08630	6.4
84.04507	18.4
84.08150	3.4
85.02912	12.1
85.06538	1.0
86.09721	2.8
88.04005	2.6
91.03967	5.1
91.05484	20.4
93.07053	27.9
94.06594	1.4
95.04978	6.2
95.08611	21.8
96.04498	3.6
96.08143	3.4
97.02882	6.9
97.06557	3.3
97.10193	8.7
98.06059	3.8
98.09655	1.1
99.04471	1.2
100.03996	6.3
102.05553	20.5
105.07023	10.8
107.00375	1.0
107.04972	3.5
107.08604	16.4
109.02906	1.2
109.06542	2.3
109.10162	18.5
110.06053	2.1
110.09687	1.9
111.04488	1.2
111.08121	2.1
112.07607	3.4
114.05551	1.1
114.09223	1.5
114.12803	5.2
117.07048	4.4
119.08586	13.7
121.06537	1.7
121.10155	12.4
123.08111	2.7
123.11727	2.9
124.11241	2.0
124.99994	1.1
125.09602	4.7
126.09180	2.4
127.03923	2.4
129.05513	2.2
129.07004	1.3
131.08592	6.4
133.10126	7.1
135.08037	1.9
135.11707	6.0
136.11232	1.8
137.09631	2.7
138.12808	4.2
139.11185	1.1
140.10687	2.4
142.12299	3.7
145.10127	4.4
147.08124	1.7
147.11719	3.4
148.11264	1.5
151.11270	1.1
154.12297	4.0
156.13899	3.4
159.11742	2.3
161.13255	2.2
163.11258	3.1
164.10768	2.0
166.12296	8.0
167.10718	1.2
173.11755	2.6
173.13243	1.9
175.14803	1.1
180.06715	1.0
180.13921	1.2
182.11867	3.2
182.15401	5.6
183.12569	5.7
184.07364	6.9
184.13342	24.1
184.14899	1.7
191.10596	0.9
193.12242	1.5
198.14890	1.6
199.13318	2.8
200.12936	1.1
202.14459	1.3
208.13362	8.9
210.14882	9.3
222.14861	1.1
226.14401	10.0
228.16034	2.2
229.14359	8.7
244.15552	2.0
256.15500	2.7
257.16312	1.7
258.17105	3.3
259.20642	1.6
261.22232	2.3
267.16089	3.1
269.17566	1.2
282.17026	2.0
284.18723	3.2
285.17200	1.1
291.19690	1.8
300.18051	7.7
302.19684	1.7
318.19089	4.5
333.24384	2.3
335.25793	22.3
351.25491	1.6
423.51505	1.1
423.58054	1.1
489.36011	1.1
506.38605	1.5
516.36951	1.7
517.37482	1.3
525.35046	1.2
534.37939	8.8
535.38873	3.2
536.39392	1.7
543.36548	4.0
552.38831	8.9
560.39355	6.2
561.38226	1.8
578.40497	8.6
596.41614	100.0
597.42078	3.4
674.25262	1.2
714.44183	2.4
740.45837	7.5
758.46844	68.2
759.47107	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01876	3.7
55.05512	18.7
56.05031	17.0
57.03436	8.1
57.07074	1.6
58.02964	9.3
60.04520	1.4
61.02924	11.0
62.78145	1.0
65.03937	2.1
67.05505	45.9
68.05037	1.7
69.03428	6.1
69.05815	2.8
69.07064	13.6
70.02949	1.4
70.06604	7.8
71.04989	4.5
71.21510	1.6
71.21830	1.2
72.04517	65.4
73.02923	5.3
74.06081	3.1
79.05493	28.9
80.05019	3.2
81.03419	8.7
81.07056	35.7
82.06586	2.6
83.04984	5.3
83.08607	8.9
84.04504	19.3
84.08148	3.2
85.02903	10.0
85.06544	2.4
86.06081	1.6
86.09699	3.0
88.04003	3.2
90.44616	1.0
91.03961	5.0
91.05483	22.1
93.07042	32.2
93.07628	2.0
94.06573	1.8
95.04985	6.1
95.08606	26.9
96.04505	3.7
96.08118	2.5
97.02902	9.7
97.06521	3.8
97.10170	6.3
98.06070	2.7
99.04506	1.5
100.03974	3.4
100.07585	1.3
100.11264	1.5
101.02370	1.2
102.05540	20.4
102.06165	1.4
105.07028	13.0
107.04971	3.6
107.08596	17.0
109.06546	2.9
109.10146	20.7
110.06040	1.5
112.07571	1.8
112.11232	1.2
113.75302	1.1
114.12785	5.4
117.07011	5.2
119.08587	14.5
121.10146	15.4
123.08099	2.2
123.11718	3.7
124.11320	1.3
125.09604	6.5
125.50860	1.1
126.09193	2.4
127.03960	2.5
129.05472	2.0
129.07019	2.0
131.08582	8.5
133.10162	5.6
135.08109	2.4
135.11717	6.1
136.11197	2.8
137.09637	4.0
138.12811	4.2
139.11330	1.3
142.12317	3.7
143.08566	1.5
145.10164	5.7
147.08052	3.0
147.11699	3.8
148.11240	2.3
154.12308	5.2
155.10689	1.3
156.13872	3.0
159.11702	2.1
161.13271	1.1
163.11266	3.4
163.14931	1.1
164.10756	2.4
164.14427	1.2
165.09155	2.4
166.12259	9.3
173.09651	1.6
173.11784	4.2
173.13301	2.8
176.04152	1.0
180.13817	1.5
182.11829	2.2
182.15430	7.4
183.12556	5.4
184.07410	4.3
184.13336	26.4
184.14926	2.1
187.14862	1.3
193.12299	1.7
199.13376	1.3
203.14439	1.2
208.13353	13.0
210.14859	7.5
217.87402	1.1
226.14375	11.1
227.12878	2.7
228.16066	2.8
229.14305	8.2
240.16106	2.1
244.15639	1.3
246.17110	2.0
256.15552	3.9
256.19193	1.2
257.16354	1.7
258.17108	3.8
261.22202	2.4
267.16006	4.3
268.87671	1.1
275.20190	1.3
282.17090	2.1
284.18549	2.4
290.19577	1.1
300.18073	7.3
301.07098	1.8
301.20239	4.1
302.19601	2.4
314.62558	1.1
318.19061	5.7
333.24512	1.6
335.25800	25.9
336.26114	1.3
381.46112	1.2
424.31580	1.2
442.47461	1.1
489.36093	3.0
506.38458	2.8
517.37677	2.9
525.35443	1.2
534.38000	10.0
534.45612	1.7
535.38824	2.2
536.39661	1.3
537.28992	1.6
543.36951	5.2
552.39172	5.0
560.39795	7.2
561.37378	1.7
578.40436	14.2
596.41571	100.0
597.41870	4.2
668.43323	1.3
671.62415	1.4
714.44867	1.6
722.44861	1.4
740.45935	6.8
758.46887	66.4
759.47076	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
53.64598	2.8
55.01881	8.1
55.05517	28.7
57.03439	17.7
57.07064	4.2
59.05001	2.7
61.02921	5.9
65.86188	2.4
67.05508	78.3
69.03414	6.2
69.07076	16.9
69.35407	30.3
69.76850	2.9
71.04982	6.4
79.05504	46.0
81.03419	14.3
81.07064	77.5
83.04996	21.0
83.08620	15.4
83.86012	2.8
85.02908	7.6
85.06567	5.4
86.09690	13.2
91.05479	38.3
92.05828	3.8
93.07048	65.0
95.04955	16.3
95.08618	49.9
97.02903	10.4
97.06532	10.1
97.10168	5.2
99.00831	4.2
99.04454	4.2
99.08087	3.9
105.04495	2.7
105.07033	27.4
107.04961	14.5
107.08601	33.6
109.06511	8.7
109.10170	27.4
111.04440	21.3
111.08082	10.3
117.07047	17.1
119.08567	24.0
121.06566	5.9
121.10143	33.0
123.08128	5.2
123.11677	4.5
125.00027	3.4
125.09683	4.5
129.07077	5.2
131.08577	19.5
133.10141	22.4
134.10469	3.4
135.08080	4.6
135.11708	31.9
137.09579	3.7
141.92975	3.1
143.08641	3.7
145.10136	25.7
147.08070	3.3
147.11681	9.8
149.09621	4.8
149.13258	6.5
151.11113	4.4
153.12764	15.6
159.11713	6.8
161.09674	6.9
161.13362	4.7
163.11201	29.5
173.09724	6.5
173.13249	5.8
175.14786	3.5
181.12254	19.4
184.07310	25.5
187.14809	3.5
191.10757	13.2
208.97865	3.0
209.11794	31.7
225.11346	3.3
227.12810	24.5
243.21284	5.3
261.22281	18.1
267.16202	3.3
283.15421	56.7
299.14917	12.1
300.15295	8.1
301.16479	65.1
333.23734	3.9
335.25797	100.0
336.26233	12.4
337.26715	6.6
433.30969	4.6
451.32162	8.8
469.32999	9.7
487.33984	4.0
525.35803	12.0
543.36853	72.0
544.37402	3.1
561.37762	79.9
562.37897	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	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	1.5
53.03949	1.8
55.01870	3.1
55.05515	15.8
57.03440	11.9
59.04988	2.2
61.02913	3.1
61.96703	0.8
65.03931	1.9
67.05504	37.9
69.03423	2.1
69.07069	9.6
71.01358	1.2
71.58626	1.2
71.76390	0.8
73.02904	1.7
79.05492	23.9
81.03419	4.2
81.07054	40.5
83.04972	3.0
83.08619	10.9
85.02892	3.0
85.06541	2.5
91.03954	1.6
91.05481	25.1
93.07040	35.1
95.04961	6.1
95.07982	1.4
95.08602	26.1
97.02895	5.0
97.06541	4.3
97.07085	0.9
97.10158	2.8
99.00811	15.3
99.04477	0.8
99.08089	1.2
105.07029	19.1
107.04949	3.1
107.08595	18.9
109.02865	7.3
109.06517	3.0
109.10154	15.5
111.08116	4.6
115.03922	1.8
117.07018	4.8
119.08588	13.6
121.06501	5.7
121.10143	11.8
123.04435	1.7
123.11720	6.9
125.09608	1.0
127.03899	3.1
128.06264	1.2
129.06993	1.2
131.08556	6.5
133.06511	1.7
133.10126	37.1
135.08072	1.1
135.11697	9.0
137.09605	2.4
139.07516	2.5
143.08566	5.0
145.06483	1.3
145.10124	4.3
147.11693	3.3
149.13280	5.4
151.11162	11.0
159.11665	3.0
161.09628	16.4
161.13281	2.2
163.11133	1.3
163.14784	3.2
171.08099	2.7
173.13283	2.7
175.14958	0.9
177.16386	1.2
179.10674	7.0
184.07338	1.2
187.14841	1.4
189.09119	6.6
197.11732	2.6
207.10188	3.6
217.20670	0.9
223.76628	0.8
225.11227	11.5
243.12328	3.7
243.21097	4.0
259.20850	0.9
261.22110	17.1
277.21539	2.0
281.13818	2.8
299.14883	100.0
300.06015	0.9
300.15271	4.0
315.23138	2.7
317.24686	2.4
335.25784	77.1
336.26169	4.3
353.26794	1.0
370.54108	0.9
410.80295	1.1
449.30353	2.1
467.31448	4.0
485.32443	2.8
513.35718	3.1
531.37280	2.2
541.34955	5.5
559.36273	36.6
560.36328	2.9
577.37115	2.1
697.08228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.1
53.03942	2.4
55.01873	3.7
55.05516	17.0
57.03440	10.2
57.07064	1.6
59.04980	1.8
61.02919	4.0
65.03948	2.2
67.05507	37.2
69.03445	1.8
69.07079	9.6
69.32760	9.9
71.01372	1.2
71.04987	1.6
73.02919	1.5
77.03926	1.2
79.05056	1.8
79.05500	25.2
79.05962	1.8
81.03408	3.8
81.07059	42.0
83.04977	3.4
83.08620	12.3
85.02905	4.3
85.06538	1.5
86.09709	0.9
91.05486	22.4
93.07044	31.7
95.04969	5.1
95.08609	27.8
95.09232	1.0
97.02891	5.1
97.06526	3.4
97.10178	3.5
98.20715	1.8
99.00819	12.1
99.04451	1.2
99.08102	1.5
103.05473	1.7
105.07034	20.3
107.04957	5.0
107.08595	17.7
109.02866	5.7
109.06530	3.5
109.10163	15.7
109.75858	0.8
111.04505	1.0
111.08088	4.0
115.03934	2.1
117.07038	3.9
119.08585	13.2
121.02853	1.0
121.06495	6.0
121.10146	12.5
123.04453	1.9
123.08095	1.6
123.11720	5.4
127.03918	4.0
128.06235	1.7
130.85985	1.0
131.08557	5.5
133.10133	36.7
135.08043	1.2
135.11681	10.2
137.05963	1.2
137.09668	1.5
139.07570	1.8
143.08568	4.5
145.06569	1.1
145.10100	5.2
147.11685	3.8
149.13258	5.0
151.11177	11.4
159.11713	3.1
161.09622	15.1
161.13258	3.0
163.11215	1.6
163.14801	1.9
169.12233	0.9
171.08058	2.0
171.11845	1.0
173.13292	2.7
175.14761	0.9
177.16446	1.3
179.10664	7.9
184.07304	2.6
187.14754	1.4
189.09091	6.4
197.11757	1.9
201.16444	1.0
207.10194	3.8
208.32260	1.0
225.11223	10.7
243.12233	4.7
243.21100	4.5
261.22147	16.6
277.21664	1.9
281.13861	3.6
291.19565	1.7
299.14899	100.0
300.15283	2.0
315.23196	2.6
317.24789	2.3
335.25800	79.6
336.26166	3.4
449.30417	1.4
466.21323	1.0
467.31744	4.5
485.32675	2.5
513.35931	3.4
531.36591	3.0
541.35187	7.3
559.36340	34.8
560.36627	1.8
577.37457	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
55.05517	11.5
55.05762	0.6
57.03441	7.4
59.04987	1.5
61.02887	0.7
65.03919	0.9
67.05510	19.5
68.05830	0.6
69.03439	3.8
69.07068	4.0
70.78876	1.3
70.79274	1.2
71.04959	2.8
79.05495	16.6
81.03421	43.8
81.07064	18.1
83.04984	6.0
83.08622	14.0
85.02869	2.7
85.06513	1.7
87.04458	1.5
91.05489	15.8
91.23528	0.6
93.07050	13.5
95.04977	17.2
95.08607	8.3
97.02858	2.8
97.06534	2.9
97.10173	14.3
99.04382	1.0
103.05452	0.7
105.06387	1.0
105.07030	12.5
107.04300	0.7
107.04964	11.3
107.08593	12.0
109.02840	1.0
109.05859	0.8
109.06520	7.0
109.10159	9.4
111.04447	4.0
111.08108	5.2
113.05962	1.3
115.05418	1.2
117.07005	4.0
119.04886	1.4
119.08588	9.9
121.05795	0.6
121.06520	8.3
121.10153	8.7
123.04403	1.6
123.08087	3.1
123.11719	1.2
125.05907	1.0
125.09628	13.7
127.03954	0.7
127.07580	0.7
128.06201	0.9
129.07007	6.9
131.04901	1.7
131.08569	8.7
133.06519	3.5
133.10127	7.7
135.08038	5.8
135.11699	3.1
137.05977	1.9
137.09599	1.3
139.11209	0.8
141.06934	2.0
142.07803	1.0
143.08499	1.6
143.10689	0.7
145.06499	6.6
145.10120	6.0
147.04401	1.8
147.08066	4.0
147.11705	6.0
149.05893	1.0
149.09653	4.0
151.03882	0.8
151.07457	0.9
151.11154	2.2
153.09050	2.6
153.12704	2.6
155.08533	1.8
157.06444	1.5
157.10112	6.2
159.08000	1.6
159.11646	1.5
161.05913	1.3
161.09599	3.1
163.11208	6.5
165.12724	2.0
167.07045	1.3
167.08545	1.0
167.10695	1.4
169.10123	1.4
171.08003	1.7
171.10175	1.0
171.11624	2.2
173.06039	0.8
173.09567	1.9
173.11774	1.7
173.13225	1.2
175.07536	1.0
175.11174	6.2
177.05373	1.0
177.12756	0.7
181.10103	0.8
181.12210	2.7
183.11653	1.6
185.09608	1.2
185.13269	1.5
187.11121	1.3
187.14807	0.9
189.11263	7.4
189.12750	1.1
191.10600	2.5
191.14297	1.5
193.12251	16.2
195.11719	1.8
197.13271	1.6
199.11249	1.4
199.13174	0.7
201.12775	1.3
203.14095	0.8
205.12267	1.3
207.06540	1.1
207.13806	0.7
209.11720	1.8
211.13158	1.1
211.14978	0.7
213.12724	1.4
215.14357	1.7
217.12350	1.0
219.13800	2.7
223.11203	0.7
223.13217	1.3
225.12694	0.8
227.12625	4.7
229.14351	3.7
231.13788	1.2
233.15359	4.3
235.11211	0.8
235.13324	1.4
235.85284	0.7
237.12660	1.2
237.14767	1.1
239.14243	1.0
241.14355	0.7
245.15439	0.8
249.14900	1.0
251.10669	0.7
251.14204	0.7
253.14287	2.0
255.13863	1.1
259.13293	1.6
267.15927	41.0
268.16367	1.0
269.15366	0.9
273.14822	6.4
273.17310	0.8
275.16641	0.8
283.15497	2.7
293.17441	1.2
301.16568	2.2
315.18054	2.0
317.15979	3.3
339.23346	2.7
347.07712	0.8
349.21628	5.4
357.24316	2.1
367.22708	13.3
385.23761	20.2
386.24350	0.9
397.22360	1.5
403.24915	6.5
441.26370	9.5
455.26431	3.3
459.27448	100.0
460.28134	3.2
469.27814	1.3
477.28506	91.3
478.28845	3.3
491.30154	12.7
501.28711	1.8
509.30801	4.3
513.27850	0.9
540.71942	0.8
541.33661	0.9
567.29810	1.6
585.30933	0.9
729.32947	0.7
756.37415	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	748.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01881	2.6
56.78220	0.5
65.03941	4.5
67.05501	2.5
68.06182	0.5
69.03418	1.9
70.06577	0.6
71.00582	1.4
75.04478	2.1
78.04713	1.9
79.05497	5.0
80.58580	0.5
81.03427	2.4
81.07054	1.6
82.04208	1.4
82.40951	0.6
85.02905	5.1
89.03936	1.3
89.06032	0.8
90.38987	0.5
91.05481	9.4
93.03413	6.8
93.07060	3.2
95.04964	6.0
95.08606	0.9
97.02894	1.1
97.06528	2.0
102.04702	0.6
103.05469	17.7
105.03387	1.3
105.07031	7.1
106.04178	10.6
107.04964	10.3
108.02007	0.7
109.02901	0.9
109.06520	1.4
110.03671	1.7
111.04425	1.5
115.05465	5.8
116.06218	0.8
117.03394	0.9
117.07021	4.5
118.04156	5.3
119.04959	2.7
119.08605	0.5
120.05804	0.8
121.06517	14.1
123.04446	4.3
124.05201	2.1
125.06004	6.0
129.07030	1.8
130.04164	0.9
131.04929	21.4
131.08578	1.1
132.05681	1.9
133.02849	1.5
133.06482	9.3
134.03656	2.2
135.04407	1.7
135.08054	1.7
137.05981	5.6
138.06743	0.6
139.03929	1.2
139.07544	1.9
141.07005	1.1
142.02608	1.7
143.04930	1.4
144.05725	1.4
145.02846	2.0
145.06470	5.8
146.03622	2.2
147.04405	2.6
147.08081	2.6
148.05196	10.5
149.05994	26.8
150.06396	0.6
151.03920	4.3
151.07549	2.2
152.04651	1.6
153.05479	3.9
153.09103	7.1
155.07030	0.8
157.06529	1.4
159.04417	1.3
159.08078	2.0
160.05196	1.5
161.05980	10.0
161.07236	0.8
162.01363	1.8
163.02063	0.6
163.03897	2.3
163.07545	21.4
165.05472	1.8
165.09172	0.8
166.06219	1.1
166.08646	0.8
167.07047	61.4
168.07439	1.5
171.06541	3.9
171.07909	0.8
172.05247	0.8
173.05975	5.2
174.06734	0.9
175.07550	3.4
176.04616	2.5
177.05475	20.3
177.09035	0.6
178.06125	1.1
179.01631	1.2
179.07056	1.9
180.07835	1.0
181.04962	81.9
181.08525	15.0
182.05255	1.6
183.06528	0.6
187.07552	3.8
188.04675	0.6
189.05412	1.1
189.09117	0.8
190.00897	1.3
190.06256	1.3
191.07031	97.4
192.07547	3.2
193.04964	1.8
193.08615	3.8
195.06549	5.2
201.05428	2.9
202.06032	0.6
203.07076	3.4
205.08569	4.1
207.06462	1.9
207.08287	1.2
207.10213	1.9
208.01936	1.7
209.08095	100.0
210.08466	2.8
213.05782	0.7
214.06229	0.7
215.07047	0.5
217.08658	2.6
219.06476	0.9
219.08243	0.8
219.10124	6.5
221.06070	0.7
221.08096	1.7
223.04245	18.4
224.04654	0.8
225.07506	1.1
231.06497	0.7
233.08099	7.1
234.06700	0.7
235.07468	1.6
235.09647	7.2
237.08989	0.6
245.08145	2.3
247.07578	0.8
249.09026	0.6
251.09177	0.9
252.07832	0.6
257.08139	0.8
261.11383	0.6
263.09164	30.2
264.09613	1.3
267.10141	3.1
269.11743	0.8
278.09454	0.6
279.09924	0.6
292.07031	0.6
293.08023	0.7
295.09668	1.7
297.11206	2.0
299.09082	1.0
300.09210	0.9
306.08914	0.7
307.09656	1.3
312.09131	3.7
322.08237	0.7
323.09195	0.6
325.10672	3.1
326.11224	0.6
327.12286	1.0
329.13849	1.1
330.10147	1.4
331.08038	1.3
331.11700	0.9
335.09164	0.9
337.10715	1.5
339.12360	1.1
344.12415	0.7
353.10150	1.7
355.11743	1.1
357.13370	7.3
359.14856	0.9
367.11807	2.2
369.13275	2.2
371.14853	1.5
381.13400	1.0
385.12799	14.8
385.17630	0.9
386.13498	0.7
387.14441	1.5
389.16107	0.8
399.14417	4.4
417.15479	25.2
418.15771	1.8
495.53839	0.7
577.20264	1.0
581.58514	0.6
581.68097	0.7
609.22736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78759	0.5
52.91036	0.4
53.03950	1.4
55.01873	2.3
58.02892	0.4
65.03946	4.8
66.04747	0.6
67.05509	2.1
69.03445	1.2
69.07074	0.5
70.06599	0.5
71.60065	0.5
75.04490	2.1
75.49563	0.5
77.03940	0.5
78.04724	1.7
79.05505	4.8
81.03432	2.3
81.07074	0.9
82.04197	1.1
85.02907	5.8
89.03925	1.2
91.05491	7.8
93.03413	6.5
93.07050	2.8
94.04182	0.5
95.04972	6.8
95.08623	0.9
97.06567	2.3
99.04453	0.4
101.06001	0.5
103.05478	17.5
105.03413	1.9
105.07038	6.9
106.04187	11.2
107.04963	9.6
109.02874	0.6
109.06534	1.9
110.03692	1.4
111.04451	1.6
115.05475	5.5
117.03399	1.0
117.07017	4.1
118.04169	4.3
119.04987	2.2
120.05738	0.7
121.06522	14.1
122.03651	0.9
123.04443	4.7
124.05273	2.8
125.06001	6.4
127.03942	0.7
128.06226	0.8
129.06985	1.3
130.04152	1.8
131.04944	18.8
131.05940	1.0
131.08574	1.2
132.05717	1.6
133.02861	1.5
133.06496	8.5
134.03621	3.3
135.02640	0.5
135.04431	1.7
135.08070	2.2
136.05136	0.4
137.05974	5.4
138.03165	0.6
139.03964	0.8
139.07564	1.6
140.04703	0.8
140.59158	0.4
141.06989	0.6
142.02641	1.5
142.04178	0.4
143.04953	1.3
144.05713	1.6
145.02846	1.5
145.06477	5.6
146.03644	1.4
147.04425	2.0
147.08025	1.8
148.05211	11.3
148.07639	0.7
149.05997	25.3
150.06337	0.8
151.03943	3.0
151.07581	2.8
152.04697	1.9
153.05513	2.7
153.09096	6.9
155.07080	1.0
156.05637	0.4
157.06488	1.4
158.03761	0.5
159.04416	1.3
159.08081	2.3
160.05194	1.4
161.05994	10.1
162.01364	1.8
162.06786	0.9
163.03932	3.0
163.07558	20.8
164.07977	0.6
165.05525	2.4
165.06856	0.4
165.09145	0.5
166.02654	0.5
166.06271	0.7
167.07056	63.0
168.07391	1.6
171.06552	3.7
172.05264	0.5
173.06001	5.7
174.06802	1.3
175.03909	0.7
175.07500	2.8
176.04749	2.7
177.05487	18.1
177.09120	1.4
178.06117	0.6
179.01651	0.9
179.07037	1.9
179.08504	0.6
181.04977	75.5
181.08542	15.2
182.05304	1.9
182.09285	0.5
183.06538	0.6
185.06010	0.6
187.07562	3.6
189.05479	1.2
189.09155	1.0
190.00841	1.1
190.06248	1.2
191.07047	100.0
192.07603	3.2
193.04955	2.1
193.08618	4.8
194.07358	0.6
195.06569	5.7
196.44905	0.4
197.08107	0.6
201.05475	1.9
202.06236	0.6
203.07008	2.6
205.08603	3.8
207.06497	1.8
207.08286	0.8
207.10344	2.1
208.01892	1.4
209.08104	99.5
210.08582	2.7
217.08574	2.4
218.07297	0.6
219.08105	1.3
219.10089	6.0
220.07274	0.8
221.08089	1.4
223.04253	18.5
223.09456	0.5
224.04703	0.7
225.07559	1.8
229.08635	0.9
233.08110	5.6
234.06645	0.7
235.07523	1.3
235.09654	6.2
236.08298	0.9
237.09192	0.7
241.08665	0.5
245.08124	1.7
247.07565	0.7
249.11552	0.5
251.09065	0.7
252.07965	0.5
253.08554	0.7
257.08063	0.8
263.09177	28.3
264.10007	0.6
265.08618	1.3
267.10141	4.1
277.08719	0.5
279.09998	0.6
281.00192	0.5
281.08099	1.0
288.12070	0.5
289.10898	0.7
290.28561	0.4
292.07092	0.5
293.07837	0.5
294.08774	0.5
295.09512	1.2
297.11206	2.0
307.09692	0.7
309.11188	0.7
312.09061	2.8
325.10834	3.5
327.12207	1.3
329.10147	0.7
329.13733	1.1
330.09903	1.0
331.11572	1.1
337.10254	0.9
339.12265	1.0
344.12936	0.7
353.10025	0.7
355.11560	0.6
357.13409	7.4
358.13303	0.5
359.14798	1.5
367.11853	2.6
369.13327	1.2
371.14859	1.6
381.13107	1.4
385.12808	12.6
386.12976	0.9
387.14276	1.8
389.15820	1.2
399.14478	3.6
417.15482	23.2
463.58151	0.5
577.20374	0.6
609.22815	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01870	1.0
57.03427	0.5
65.03945	3.3
67.05503	1.3
69.03428	1.8
70.06628	0.7
70.13605	2.1
71.01374	0.5
71.04961	0.6
79.05495	1.2
81.03429	1.3
81.07058	0.7
82.04205	0.6
83.04990	0.4
85.02912	3.3
91.05486	1.6
93.03397	1.0
95.04971	1.6
97.02903	1.5
97.06524	0.6
103.05493	0.8
105.07037	1.2
107.04945	2.3
108.02113	0.7
109.02898	0.7
110.03669	3.9
111.04446	5.4
115.05394	0.5
117.07021	0.6
119.04966	1.2
121.02883	3.2
121.06529	1.4
123.04475	1.2
125.05999	6.2
127.03910	0.8
129.07098	0.4
131.04926	1.5
133.06477	1.0
135.04420	1.0
135.08098	0.6
137.02406	0.5
137.05998	4.7
138.71980	0.4
141.05463	0.7
143.04939	0.5
145.05020	0.5
145.06497	1.4
147.04422	2.4
147.08040	0.7
148.05072	0.5
148.82179	0.4
149.02348	0.9
149.06015	1.5
151.03914	24.0
151.07526	2.4
151.19447	0.4
153.05476	10.8
157.06526	0.4
159.08043	1.2
161.05957	2.5
161.09595	1.4
162.06763	0.4
163.03975	0.7
163.07584	2.8
165.05544	0.9
165.06979	1.0
166.24605	0.5
167.07068	11.4
167.08463	0.7
169.06520	0.9
171.06639	0.4
173.06059	0.4
174.06825	0.5
175.03949	0.6
175.07582	3.8
177.05537	2.2
177.06912	0.7
177.09114	3.2
178.06221	0.5
178.07791	0.7
179.05568	0.4
179.07059	2.1
179.08521	0.8
181.04951	3.6
181.06441	0.7
181.08614	1.0
183.79269	0.4
184.05179	0.6
185.09720	0.4
187.07549	1.0
189.09077	2.2
191.07034	4.2
191.08582	0.8
193.08624	3.0
194.07381	1.1
195.06493	1.3
195.08122	1.6
195.10103	0.7
197.05974	0.7
197.09619	0.6
201.09114	0.5
206.07307	0.5
207.06438	0.5
207.08174	1.0
207.10037	0.7
209.06125	0.8
209.08051	1.9
210.06790	1.2
211.07550	1.2
212.08286	1.0
219.08115	1.0
219.10188	2.9
220.08830	0.6
221.06123	1.1
221.09731	2.3
222.06631	0.7
222.10406	0.6
223.04092	0.5
223.07555	2.6
223.11188	0.7
224.08273	1.2
225.07346	1.1
225.09154	1.7
227.07028	1.2
234.06885	1.0
235.07500	1.7
236.08356	1.2
237.03130	0.4
237.05453	0.9
237.09122	2.5
238.06300	0.9
238.09839	2.0
239.07011	1.5
239.10657	1.2
240.07805	4.3
241.08473	0.6
248.08345	1.0
249.05559	0.5
249.06540	0.5
249.09138	3.7
249.11240	0.5
250.09853	1.1
251.07053	1.9
251.10815	0.5
252.07799	3.5
253.08612	10.0
253.12210	3.3
254.09349	1.2
255.06612	1.2
255.10078	2.5
257.08090	1.3
261.08978	0.5
263.07135	1.2
264.07928	1.2
265.08633	4.4
266.09433	4.0
267.06589	1.1
267.10129	2.8
268.07281	1.5
269.08115	2.8
269.11716	0.9
270.08887	1.5
271.13077	0.5
277.08643	2.1
278.09473	1.2
279.06479	0.6
279.10205	1.0
280.07236	2.3
281.08081	3.7
281.11755	4.3
282.08780	1.2
282.12347	0.5
283.06390	0.7
283.09692	4.6
284.10406	1.8
285.07858	0.8
285.11212	1.5
285.14645	0.9
293.08276	1.1
293.11765	2.1
294.08823	0.7
295.09711	4.3
296.10388	2.9
297.07962	0.8
297.11304	1.9
298.08450	1.1
298.12027	1.7
299.09448	0.8
299.12711	4.8
300.09909	2.5
300.13040	0.5
303.15933	0.5
304.40524	0.5
309.11267	5.0
310.12009	1.9
311.09177	1.2
311.12793	2.7
313.10721	11.2
313.14362	5.9
314.11224	0.6
321.10965	2.1
325.10846	0.7
326.11362	1.4
327.12296	16.5
328.13080	1.7
329.13733	0.7
331.15216	2.8
339.12311	14.2
340.13055	1.2
341.13916	4.6
342.14420	0.6
343.15427	6.7
346.06796	2.2
353.13770	0.5
355.15604	1.3
357.13516	0.8
359.14908	100.0
360.15393	3.1
361.09207	7.1
361.16287	1.1
362.09302	0.6
365.13992	1.0
371.14926	26.3
372.15378	2.0
373.16501	2.3
389.15900	2.3
417.15683	0.6
439.83994	0.5
464.30658	0.5
505.18451	1.8
517.18970	1.2
521.19977	1.0
747.34357	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
53.74492	0.9
55.05511	13.0
55.72565	0.9
56.98891	0.9
57.03426	7.0
57.07052	1.7
58.77434	1.0
59.04997	2.1
61.02903	2.8
65.03937	3.2
67.05505	95.6
69.03418	1.6
69.07066	14.8
71.04993	18.1
71.08630	1.8
71.61404	1.9
73.02912	1.4
79.05492	33.2
81.03404	3.4
81.07059	39.8
83.04993	3.6
83.08626	8.9
85.02901	4.1
85.06535	2.7
91.03976	1.6
91.05477	21.1
93.07043	40.8
95.04988	5.0
95.08608	33.4
96.08918	1.3
97.02869	1.4
97.06520	3.9
97.10172	2.3
99.08084	2.0
105.07034	10.9
107.08596	20.8
109.06517	2.0
109.10158	65.2
111.08082	4.2
117.07004	5.3
117.08341	1.0
119.02863	1.1
119.08593	14.7
121.06477	1.0
121.10144	16.8
123.08038	1.2
123.11707	1.7
125.09612	1.3
126.12987	0.9
131.08591	6.3
133.10162	7.6
135.11687	15.7
137.09593	7.9
137.70769	1.0
143.08597	1.2
145.10133	6.8
147.11711	4.8
149.09572	1.1
149.13260	3.0
155.10678	2.9
157.10031	1.1
159.11655	2.9
161.13251	2.9
163.11209	3.7
163.14825	1.3
165.12776	1.0
169.12209	1.6
171.11656	1.4
173.11729	9.4
173.13210	2.0
175.14818	1.2
180.18823	1.0
181.12236	1.4
187.13303	1.4
187.14867	1.2
193.12138	1.1
198.57094	1.0
218.91064	1.1
229.14236	1.2
243.15846	1.4
255.15887	4.3
256.10117	1.0
261.22131	2.8
267.15839	1.4
285.17059	1.4
287.18567	18.2
299.23682	1.4
335.25815	32.2
337.27304	2.3
366.33588	1.2
437.49405	1.0
458.28601	1.1
471.34354	1.8
489.35764	100.0
490.35611	6.0
503.37018	3.6
515.37439	13.3
533.38501	1.4
547.39960	87.0
548.40234	3.8
744.45142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76395	0.8
53.41368	0.8
55.05511	1.8
55.89671	0.9
57.03440	2.4
61.02918	3.4
65.06752	1.1
67.05498	6.1
68.71908	0.8
69.03419	2.5
69.07060	1.3
71.04959	1.3
71.59348	1.3
73.02922	3.0
75.18417	0.7
79.05492	4.2
81.03413	2.2
81.07057	5.3
83.08607	1.0
85.02908	5.7
86.69337	0.9
91.03963	2.0
91.05479	1.8
93.07040	5.9
95.04964	1.3
95.08607	4.9
97.02885	3.0
101.02356	1.0
105.07030	2.6
107.08606	3.7
109.06610	0.9
109.10170	2.0
117.07041	1.3
119.08565	1.4
121.10157	2.4
127.03931	1.1
131.08534	0.9
133.10066	0.8
135.11710	3.4
145.10150	2.6
157.10068	0.9
163.11226	3.3
181.12347	0.9
184.07359	3.0
221.73466	1.0
227.12813	4.0
243.08463	2.8
249.11028	8.4
305.13773	2.4
335.25778	1.3
467.18918	13.8
519.29132	5.6
535.80585	1.1
599.30096	1.0
623.81989	1.0
735.17834	1.0
745.41302	100.0
746.41852	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17895	2.2
53.03948	3.4
55.01884	1.8
55.05508	8.8
56.64778	1.9
57.03442	8.9
57.07056	3.7
59.33494	1.7
65.03951	2.1
66.46338	2.5
67.05510	30.2
69.03414	3.0
69.07071	8.6
71.04981	3.3
71.59495	2.8
71.59854	2.2
77.88724	2.1
79.05112	3.0
79.05500	27.6
81.03418	32.2
81.07053	41.0
83.04981	9.4
83.08604	15.1
85.02910	14.1
91.05488	24.7
93.07045	30.1
95.04977	14.8
95.08618	26.0
96.35547	1.8
97.02898	3.3
97.06530	2.5
97.10144	3.2
99.08086	3.0
105.07032	18.0
105.91354	2.0
107.04958	2.9
107.08598	15.5
109.06565	2.8
109.10162	8.3
111.08042	9.9
117.07048	3.7
117.85783	2.3
119.08598	18.0
121.10185	13.9
123.11667	6.3
129.07025	6.2
131.08539	10.3
133.10117	12.6
135.11646	9.5
145.10141	4.0
147.08057	3.1
147.11681	10.2
149.09644	4.2
149.13315	2.6
151.11179	2.6
155.91977	2.1
157.10161	8.5
159.11639	3.4
165.12779	2.3
175.11148	9.8
193.12247	30.0
211.13275	38.8
261.22113	5.5
267.16016	9.1
285.16992	43.2
335.25824	51.7
335.29874	3.2
453.33258	2.4
527.37012	9.6
545.38403	100.0
546.38391	5.5
644.45471	2.7
659.41351	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.4
53.04166	0.8
55.01867	3.4
55.05516	22.0
57.03441	19.2
57.07063	2.1
61.02914	4.7
65.03938	3.7
67.05508	57.1
69.03429	4.7
69.07070	15.1
71.04993	5.5
71.08641	1.8
71.32555	1.3
73.02905	1.2
79.05499	48.0
81.03423	60.6
81.07061	62.1
83.04985	16.1
83.08623	26.0
84.59898	0.9
85.02425	1.6
85.02910	26.8
85.06534	2.4
91.03947	1.7
91.05484	43.6
93.07047	46.1
94.07368	1.1
94.93452	0.9
95.04974	28.1
95.08611	36.3
97.02892	5.6
97.06539	5.8
97.10175	4.7
99.08100	1.7
103.05463	1.3
105.07031	30.4
107.04948	6.5
107.08597	21.3
109.06547	5.4
109.10168	12.9
111.04427	2.4
111.08088	10.2
113.06027	2.8
115.05447	1.6
117.07031	4.5
118.02172	1.0
118.42903	0.9
119.08582	23.8
121.06497	1.8
121.10149	22.1
123.08072	3.4
123.11734	6.0
125.09614	1.6
129.07002	11.4
131.08575	16.5
133.06490	2.3
133.10150	14.3
134.97542	0.8
135.11703	9.4
137.09607	3.3
137.13246	1.8
142.07780	3.1
143.08531	1.6
145.10126	6.7
147.08096	2.4
147.11693	18.9
149.09657	5.9
149.13272	4.6
153.10164	1.1
155.08647	0.8
157.10129	12.6
159.11684	3.6
160.00690	0.9
161.13237	3.0
163.11157	0.9
163.14827	1.8
165.12781	3.3
169.10168	0.9
171.11743	1.1
172.54390	0.8
173.13249	3.3
175.11186	14.0
175.14807	1.7
185.13260	0.9
187.14807	1.7
193.12259	42.7
211.13304	71.7
212.13603	1.1
227.12784	1.9
228.62115	0.8
243.21045	3.3
261.22192	8.7
267.15942	15.6
285.16983	82.8
286.17255	1.0
317.24805	2.5
335.25833	75.6
336.26282	2.0
417.31604	0.9
435.32410	2.6
453.33484	1.8
471.35284	1.0
527.37408	11.7
545.38403	100.0
546.38745	2.7
613.28198	1.0
684.72223	1.0
725.26404	0.9
735.30780	1.0
763.62640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01871	1.9
55.05258	1.0
55.05514	15.7
56.00937	0.7
57.03185	1.0
57.03441	13.8
57.07073	1.8
61.02941	3.6
65.03934	2.5
67.05508	45.1
69.03423	4.4
69.07072	11.4
69.93477	3.7
70.07444	0.6
71.04991	3.7
73.02911	1.5
79.05495	33.2
81.03420	47.2
81.07060	43.7
83.04985	12.2
83.08624	19.1
85.02908	19.0
85.06548	2.0
91.03970	1.5
91.05485	30.5
93.07050	33.2
95.04970	19.3
95.08612	30.6
95.09241	1.0
97.02899	3.9
97.06531	3.5
97.10159	5.2
99.04452	1.0
99.08115	1.4
105.07037	23.1
107.04974	4.1
107.08595	18.5
109.06516	4.0
109.10157	12.2
111.04472	1.4
111.08082	8.5
112.38171	0.6
113.06013	1.5
115.05429	0.9
117.07024	4.3
119.08588	18.5
119.09463	0.9
121.06535	1.5
121.10149	15.9
123.08077	3.3
123.11716	4.2
125.09639	1.8
127.03984	0.6
129.07016	7.9
131.08574	13.8
133.06512	1.7
133.10123	12.6
135.08144	0.9
135.11711	6.0
137.09593	2.3
137.13266	1.5
142.07803	2.3
143.08546	1.0
144.30804	0.7
145.10109	5.0
147.08096	2.1
147.11705	12.7
149.09613	5.0
149.13275	4.8
151.11162	0.9
153.12808	0.8
157.10129	11.3
159.11679	3.3
161.13293	2.2
163.11153	0.9
163.14870	1.7
165.12816	3.1
171.11572	0.8
173.13211	3.0
175.11192	11.6
175.14842	1.1
185.13287	0.9
187.14897	1.9
189.11243	0.6
191.14401	0.7
193.10378	1.2
193.12244	37.4
211.13304	67.3
227.12883	1.4
229.14363	0.8
230.07021	0.6
243.21132	2.3
249.14912	0.7
259.20544	0.8
261.22150	8.8
267.15903	15.4
285.16977	77.6
286.17361	1.0
301.25287	1.0
312.28384	0.6
317.24786	2.6
323.18042	0.7
335.25818	72.7
336.26178	1.3
435.32547	1.4
453.33670	2.3
471.34790	1.0
491.35214	0.7
527.37378	13.0
545.38403	100.0
546.38721	2.6
563.39612	0.9
617.57135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.01871	9.6
55.05263	0.8
55.05514	15.6
57.03440	16.3
57.07080	1.4
59.04982	2.4
61.02927	15.3
65.03934	1.7
67.05505	57.3
68.05818	0.7
69.03432	7.0
69.07068	36.8
69.33474	1.8
69.33892	4.3
71.04987	5.3
73.02920	5.9
79.05493	25.2
81.03419	12.5
81.07057	41.0
82.03748	0.8
82.07383	0.8
82.22683	0.6
83.04979	8.6
83.08621	9.6
85.02904	19.2
85.06558	4.8
87.04465	0.8
91.03961	9.7
91.05481	30.4
93.07045	28.9
95.01321	0.7
95.04975	9.7
95.08610	29.0
96.05314	0.6
97.02889	9.5
97.06529	16.6
97.10168	6.4
99.04459	2.5
99.08103	1.3
103.03941	4.2
103.05455	1.5
105.06301	0.7
105.07030	25.9
107.04955	8.5
107.08595	16.8
109.02886	2.1
109.06528	3.9
109.10158	36.2
110.93890	0.6
111.04435	2.1
111.07333	0.8
111.08067	5.7
113.06007	0.9
113.09637	0.8
114.36503	0.5
115.03976	1.1
115.05370	0.8
117.07022	7.3
119.04931	1.4
119.08585	21.1
121.06503	4.9
121.10151	12.0
123.04433	1.4
123.08070	5.2
123.11678	3.8
125.05996	0.7
125.09629	6.7
127.03923	5.1
128.06169	0.8
129.05486	3.4
129.07028	3.3
131.04903	1.0
131.08572	13.1
133.06474	2.2
133.10130	17.7
135.08089	3.6
135.11684	9.0
137.06010	1.5
137.09612	10.2
137.13228	0.7
139.07520	1.8
139.11165	1.7
141.06979	1.3
141.09084	0.9
142.07648	0.9
143.07013	0.9
143.08566	3.7
144.09381	0.8
145.04958	3.9
145.06467	1.1
145.10129	10.8
147.04396	1.0
147.08070	2.1
147.11691	9.4
149.08414	0.7
149.09625	14.6
149.13277	3.6
151.11169	2.8
153.09122	0.7
153.12762	1.1
155.08565	1.3
155.10721	3.3
157.08754	1.2
157.10146	4.6
159.08054	0.9
159.11703	10.5
161.09642	2.1
161.13255	6.0
163.06036	3.7
163.07259	0.6
163.11176	8.0
165.09111	1.5
165.12740	0.7
169.10161	2.3
169.12183	0.7
171.10175	7.7
171.11716	2.2
173.04477	2.0
173.09586	0.9
173.10104	0.9
173.11736	15.6
173.13264	5.2
175.11192	1.5
177.12750	3.5
179.10617	1.0
179.14336	4.3
181.12210	1.4
183.11731	2.2
185.11739	1.1
185.13234	1.0
187.11209	2.4
187.13298	1.7
187.14839	1.2
189.11215	2.9
189.12737	1.2
191.10654	0.8
193.12274	3.8
195.13789	1.8
197.13266	0.9
200.14050	1.2
201.12823	0.7
205.12154	1.4
211.13184	0.8
215.17902	0.9
219.13922	0.9
223.13368	1.1
227.12808	3.7
228.13243	0.7
229.14352	59.4
229.19415	2.2
230.14929	0.8
233.15210	0.7
233.19057	1.3
239.17969	3.0
241.14372	1.6
243.15933	7.5
245.19125	0.9
247.20581	2.5
251.20117	1.3
253.14290	1.0
253.17960	3.5
255.15799	3.6
257.19049	6.6
259.15323	1.1
267.15921	4.5
268.16287	1.4
269.17557	4.9
271.15451	4.4
273.18604	3.0
275.20081	26.6
276.20551	1.1
283.15482	1.3
284.15643	0.9
285.16830	1.8
291.19531	4.8
293.21063	2.7
297.16992	1.9
299.14975	0.8
311.22101	0.8
321.24454	0.9
331.08221	1.0
331.22940	0.9
339.21774	1.0
348.22870	1.1
349.23737	100.0
350.24106	2.6
365.23257	5.6
367.24823	15.4
368.93076	0.7
373.18729	1.0
383.24106	4.0
391.25183	0.7
397.25897	1.0
459.27454	2.8
469.27936	0.8
477.28278	3.1
495.29004	0.9
511.29135	1.5
545.29431	2.0
742.36426	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.0
55.05516	17.7
56.96578	1.7
57.03447	8.5
57.10037	1.3
59.04984	2.1
61.02915	1.6
63.77322	1.5
65.03928	2.7
67.05508	26.6
69.03425	5.2
69.07064	7.4
70.06580	2.0
71.01359	1.5
71.04990	4.1
71.59704	1.5
71.60078	1.7
73.02937	1.7
77.09022	1.2
79.05499	22.1
81.03425	50.8
81.03915	2.4
81.07059	24.4
82.03771	2.0
83.04989	6.2
83.08624	16.6
85.02898	5.5
85.06562	1.4
91.05481	21.1
93.07051	22.2
95.04984	21.8
95.08614	12.2
97.02902	3.4
97.06535	4.3
97.10180	13.7
103.05485	1.8
105.07032	17.3
107.04969	17.5
107.08601	15.0
109.02890	3.2
109.06530	12.9
109.10151	9.9
111.04465	4.0
111.08107	5.2
117.07031	6.4
119.04959	3.3
119.08592	12.5
119.89532	1.4
121.06528	11.3
121.10154	12.2
123.04473	1.8
123.08073	4.6
125.05992	1.8
125.09664	12.4
127.03916	2.6
129.07033	7.6
131.04977	4.6
131.08574	10.1
133.06493	3.9
133.10143	8.8
135.08109	7.6
135.11682	2.9
137.06010	5.8
137.09686	2.2
139.11150	2.8
143.08577	2.3
145.02771	2.1
145.06499	6.0
145.10143	7.9
147.04420	5.6
147.08069	7.3
147.11644	7.1
149.05949	2.8
149.09630	7.1
151.03876	2.3
151.07491	1.8
153.09151	2.9
153.12778	1.9
155.08566	2.1
157.10147	5.4
159.08113	2.4
159.11763	2.4
161.06020	2.2
161.09637	3.1
163.07559	2.1
163.11226	6.8
167.07059	4.6
167.08466	1.6
171.08258	1.5
171.10152	1.7
171.11646	1.6
173.09622	2.7
173.13277	2.7
175.11166	7.5
177.05504	4.7
181.04973	3.2
181.12216	2.1
181.92728	1.7
184.07420	2.0
187.14700	1.9
189.09337	1.6
189.11229	5.7
191.07002	2.1
191.10640	2.1
191.14357	4.3
193.12268	18.9
199.11224	2.4
201.12753	2.3
203.06941	1.5
207.06479	2.4
209.11745	3.5
211.13327	1.6
213.12701	1.7
215.14389	3.5
219.13863	10.0
227.12755	4.5
229.14363	4.6
231.13788	2.3
233.15448	2.7
234.82733	1.6
245.15459	1.7
255.13882	2.0
259.15460	4.8
267.15930	40.0
268.16016	2.0
273.14926	5.9
283.15421	5.0
293.17575	5.0
301.16599	4.6
317.16129	1.7
349.21713	3.5
355.11725	1.6
356.41635	1.5
367.22699	10.4
385.23734	18.7
403.24811	5.8
433.25595	1.5
437.25269	2.5
441.26230	5.1
451.26904	6.0
455.25931	2.2
459.27438	100.0
460.27884	5.9
477.28497	93.4
478.29092	7.6
491.30246	7.0
495.29538	10.0
527.28558	1.6
567.29285	1.8
576.10278	1.7
742.36279	2.1
743.35486	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13266	0.4
53.03938	1.6
55.01871	3.2
55.05510	12.1
57.02531	0.5
57.03183	0.6
57.03437	6.3
57.22593	0.5
61.02926	5.8
65.03941	1.3
67.05505	18.2
68.15042	0.4
69.03428	5.0
69.06718	0.9
69.07066	12.1
70.06594	0.6
71.01355	0.6
71.04985	3.7
71.59647	0.8
71.60004	0.7
71.75703	0.5
73.02914	2.8
79.05492	18.1
81.02973	0.8
81.03421	9.3
81.07056	30.8
83.04986	5.3
83.08621	7.1
84.04471	0.5
85.02902	10.1
85.06547	1.6
89.03962	0.5
91.03967	5.2
91.05477	11.8
93.07042	15.0
95.04965	7.8
95.08607	9.8
97.02883	4.6
97.06529	12.2
97.10168	11.6
99.04458	1.7
99.08096	1.6
103.05457	0.6
104.10427	0.6
105.07024	11.6
106.33742	0.4
107.04948	6.1
107.08592	12.5
109.02882	1.8
109.06525	3.8
109.10149	7.1
111.04462	5.0
111.08067	4.2
113.06058	0.8
115.05445	0.8
115.07571	3.9
117.07015	6.6
119.04949	1.0
119.08581	10.3
121.02872	0.5
121.06514	5.5
121.10136	7.6
121.81132	0.5
123.04408	1.3
123.08068	11.5
123.08945	0.9
123.11711	0.8
125.05990	1.0
125.09631	11.5
127.03913	4.4
127.07519	0.5
128.06262	0.9
129.05521	0.9
129.07016	4.2
131.04910	0.7
131.07056	1.2
131.08560	9.0
133.06502	2.5
133.10138	6.5
135.04475	0.6
135.08072	5.4
135.11684	6.4
136.08446	0.6
137.05992	2.8
137.09616	3.6
139.03922	0.7
139.07552	0.8
139.11183	1.2
141.09018	0.6
143.08534	3.7
143.10747	0.7
145.02831	1.1
145.04979	2.1
145.06480	1.0
145.10117	6.7
147.04457	0.8
147.08035	5.3
147.11699	3.9
149.05992	0.7
149.09636	4.3
149.13249	2.1
151.03899	1.1
151.07538	0.8
151.11159	1.8
153.09099	2.3
153.11667	0.6
153.12718	3.0
155.08562	1.4
157.06389	0.8
157.10127	3.9
159.08067	1.5
159.11711	4.7
161.09628	4.5
161.13254	0.9
163.06068	2.4
163.07431	0.6
163.11165	9.3
165.09151	3.2
165.12762	1.1
167.07014	2.7
167.08347	0.9
167.10649	0.6
169.10210	0.7
169.12222	0.6
171.08054	0.9
171.10167	1.3
171.11705	2.7
172.05234	0.5
173.09630	2.9
173.11797	0.5
173.13283	1.0
175.03915	0.8
175.11157	3.0
177.05464	3.4
177.12733	2.6
179.10681	0.8
179.14435	0.5
181.04984	1.0
181.12256	3.5
185.09653	1.2
185.13289	1.0
189.11214	8.5
189.12706	0.6
191.09164	0.5
191.10593	3.0
193.12241	2.7
195.11678	1.0
195.13907	1.0
199.11168	0.6
199.14847	1.6
201.07530	0.8
201.12726	0.7
203.10660	0.5
203.14445	0.7
205.12285	0.7
207.06543	1.4
209.11711	0.6
211.13252	0.7
213.12857	0.6
213.16415	0.7
217.15828	2.9
223.13307	1.0
227.12820	5.1
227.17992	1.6
231.17418	0.8
233.15318	2.5
237.16498	1.0
245.13809	1.0
245.19057	2.5
249.14790	0.5
251.16385	0.7
255.17450	1.8
263.20123	0.7
267.15894	1.6
269.17474	10.5
273.18488	17.7
283.15469	1.1
291.19543	27.4
297.16803	1.3
299.14737	0.8
299.28925	0.5
301.16370	0.7
307.19028	1.5
309.20645	4.2
325.20068	2.6
337.23865	0.7
347.22211	8.0
361.09070	0.7
365.23236	49.2
366.23605	1.2
382.15747	0.7
383.24280	100.0
384.24625	2.1
389.23157	0.5
399.21927	0.6
407.24182	0.6
417.22644	1.3
435.23950	0.8
453.24789	2.0
473.25443	1.3
491.26221	3.1
509.27298	3.2
512.93353	0.6
527.28357	3.2
545.29736	6.2
692.37964	0.8
772.00641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01852	2.3
55.05510	12.4
57.03442	6.6
57.07052	1.8
61.02910	0.9
65.03911	1.6
65.35282	0.4
67.05505	34.7
67.50304	0.6
69.03412	1.8
69.07069	10.7
69.38280	4.1
71.04958	2.4
71.08589	0.6
73.02912	1.4
77.03839	0.5
79.05493	30.7
81.03397	1.7
81.07058	39.4
83.04974	3.3
83.08624	9.7
85.02879	1.5
85.06536	1.0
91.05478	12.6
93.07045	46.0
95.04446	0.6
95.04974	6.7
95.08608	47.9
97.02894	3.7
97.06527	3.7
97.10131	1.9
99.04433	4.3
99.08060	0.8
103.05453	0.7
105.06400	0.6
105.07030	9.1
107.04301	0.7
107.04964	6.4
107.08597	32.6
109.06495	1.8
109.09457	0.7
109.10152	11.3
111.04441	1.4
111.08031	1.4
113.06023	0.6
117.07015	8.9
119.07801	0.7
119.08586	12.5
121.06508	4.4
121.10152	19.2
123.08021	1.6
123.11687	2.4
125.05968	1.6
125.24002	0.5
129.06908	0.7
130.07755	1.2
131.08571	4.2
133.10124	5.8
135.08034	2.0
135.11694	47.3
136.11987	0.8
137.13261	0.8
139.07535	2.1
143.08542	1.0
145.10126	28.1
147.08083	0.6
147.11603	2.1
149.13242	1.6
159.11670	2.2
161.13220	1.4
163.11186	55.7
173.09656	1.3
173.13286	2.0
181.12216	10.0
187.14796	0.7
209.11749	1.6
227.12782	70.1
228.13017	0.9
243.21114	2.0
261.22147	6.8
283.15396	100.0
284.15720	1.7
317.24719	2.1
335.25800	91.2
336.26154	1.9
386.36276	0.6
469.33545	1.0
543.36816	86.5
544.37195	3.4
561.37689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01873	2.8
55.05511	13.4
57.03192	0.5
57.03442	9.1
57.07055	1.5
61.02915	0.9
61.83356	0.4
65.03930	1.3
67.05505	39.0
68.05811	0.6
69.03412	1.5
69.06726	0.8
69.07069	11.9
71.04998	2.9
71.08619	0.5
71.61079	0.8
73.02904	1.5
73.85517	0.5
77.03902	1.1
79.05493	35.9
81.03406	2.3
81.07058	41.7
82.26453	0.5
83.04993	3.2
83.08620	9.3
85.02884	1.8
85.06527	1.3
91.05478	12.5
93.07046	50.0
94.07352	0.9
94.34413	0.5
95.04430	0.7
95.04973	6.5
95.08607	54.8
96.08922	1.0
97.02876	4.0
97.06516	4.4
97.10163	1.5
99.04453	4.4
99.08074	0.5
101.06042	0.5
103.05420	0.9
105.04500	0.7
105.07028	13.1
107.04958	8.1
107.08595	36.8
109.06521	2.3
109.10155	11.9
111.04416	0.8
111.08057	1.1
113.06026	0.6
113.09637	0.7
117.07022	10.6
119.08588	13.8
121.06512	5.4
121.10145	20.9
123.08051	1.1
123.11720	2.7
125.05988	3.3
125.09650	0.4
127.07571	0.5
129.06985	0.7
130.07756	1.5
131.08574	4.2
133.10132	6.6
135.08067	1.5
135.11693	52.2
136.12035	1.2
137.09624	0.7
137.13245	0.7
139.07584	1.2
143.08528	1.0
145.10126	30.1
146.10468	0.9
147.11757	2.2
149.13248	3.4
153.12714	0.7
155.08549	0.8
159.11719	2.0
161.13283	2.5
162.83080	0.5
163.11186	59.9
163.14833	1.6
164.11519	1.3
173.09676	1.0
173.13292	1.6
175.14836	1.0
177.16391	0.9
181.12234	11.9
182.12575	0.5
187.14819	1.0
209.11748	1.4
227.12782	77.2
228.13155	2.1
243.21019	2.8
254.43066	0.5
261.22116	8.1
283.15402	100.0
284.15717	3.0
317.24683	2.4
335.25806	92.4
336.26172	3.9
359.34766	0.5
543.36829	88.8
544.37238	6.2
561.37708	0.7
599.51086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01868	16.4
55.05507	28.0
57.03439	18.9
57.07068	1.9
59.05000	4.0
65.03941	2.6
67.05502	49.7
69.03423	6.8
69.07065	12.0
71.01367	2.2
71.04992	9.8
71.60000	2.0
71.60396	1.9
73.02913	2.1
79.05488	41.4
81.03416	100.0
81.07056	36.8
82.04218	1.7
82.07384	1.6
83.04984	28.9
83.08614	28.9
85.02905	9.5
85.06538	2.7
87.04469	2.8
91.03954	1.6
91.05481	39.6
93.07041	32.6
95.04975	34.6
95.08600	18.4
97.02904	11.8
97.06525	14.7
97.10157	11.6
99.04490	3.5
103.05473	1.6
105.04520	1.5
105.07028	22.1
107.04946	23.6
107.08593	21.1
109.02876	2.5
109.06525	6.7
109.10162	22.1
111.04456	20.4
111.08066	15.3
115.05453	2.7
116.04694	3.7
117.07034	9.9
119.04975	2.8
119.08584	24.3
121.02868	6.8
121.06505	9.8
121.10146	15.4
123.04420	2.8
123.08082	5.7
123.11718	2.6
125.05980	2.9
125.09641	10.5
127.03854	1.6
129.05507	10.9
129.07024	14.0
131.04909	4.2
131.08586	16.9
133.06482	5.2
133.10094	10.6
135.04436	5.3
135.08031	3.5
135.11700	19.9
137.05998	4.1
137.09641	5.4
142.07788	3.1
143.07042	3.0
143.08615	3.6
145.06477	2.9
145.10101	12.0
147.04396	3.0
147.08040	6.1
147.11679	13.9
149.09625	8.9
151.11232	2.4
153.09048	2.2
153.12747	37.5
155.08589	4.2
157.08789	2.4
157.10138	9.3
161.05904	2.0
163.11176	30.2
164.11589	2.6
165.12790	3.5
167.07106	3.0
173.09656	4.8
173.11751	5.7
175.11182	12.9
177.05493	2.9
181.04964	2.0
181.12239	25.6
189.11235	5.2
191.10666	11.6
193.08635	1.9
193.12256	38.1
199.13297	4.7
201.12746	3.3
203.14301	1.8
207.13737	2.3
209.11679	11.9
211.11362	3.0
211.13290	10.6
219.13895	2.7
225.14958	1.8
227.12781	45.7
228.12770	1.7
229.14339	15.6
241.60159	1.8
247.13292	22.4
249.14885	7.3
265.14499	2.0
267.15924	78.6
268.16367	4.1
273.14767	1.7
277.21613	1.8
283.15378	38.6
285.17020	2.6
285.59662	1.6
289.14304	2.3
301.16507	13.4
321.16943	6.3
331.08148	2.6
351.25146	2.8
365.21021	2.3
377.24789	1.7
383.22116	5.6
385.23691	1.9
401.23251	4.8
419.24075	1.6
421.25891	5.6
439.26852	3.0
447.27423	4.5
457.25827	3.3
458.26901	1.5
463.26883	1.6
475.26846	27.2
493.28064	19.9
552.15466	1.7
686.96539	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45534	1.6
53.03938	4.3
55.01871	4.9
55.05513	17.6
57.03440	16.3
65.05892	1.6
66.83710	1.5
67.05514	19.4
69.03419	3.9
69.07057	4.5
69.43719	7.7
69.44153	7.1
71.04991	3.1
76.03362	1.9
79.05496	19.3
81.03418	71.4
81.07053	23.4
83.04974	7.0
83.08619	22.9
85.02914	4.9
85.94137	1.5
91.05486	28.0
93.07051	21.3
95.04977	26.9
95.08579	9.1
97.02892	5.3
97.06527	5.2
97.10168	5.8
98.20785	3.4
99.00813	15.6
105.07043	21.6
107.04941	13.2
107.08598	12.7
109.02865	10.9
109.06523	7.9
109.10174	6.6
111.04431	3.3
111.08076	9.0
115.03909	2.5
115.05420	2.5
117.06997	4.2
119.04964	2.1
119.08600	19.7
121.06511	12.7
121.10141	7.5
123.04462	3.5
123.08057	3.1
123.11697	1.7
125.09632	5.3
127.03934	2.4
129.07014	7.0
131.04933	2.1
131.08582	7.0
133.06519	4.1
133.10138	34.5
135.08070	2.5
135.11690	2.4
137.06007	3.8
137.09639	4.4
139.07535	2.6
142.07768	4.1
143.08536	4.9
145.02893	1.8
145.06502	3.1
145.10110	5.6
147.08034	5.0
147.11682	7.2
149.09613	5.2
151.11194	8.7
157.10135	7.0
161.09653	19.9
163.11172	3.4
165.12779	1.8
167.07098	2.2
171.08080	4.8
175.11168	8.9
177.05559	3.2
179.10684	8.9
180.95413	1.9
189.09125	9.8
189.11102	3.9
191.10757	2.1
193.12265	19.6
197.11749	2.3
207.10150	3.3
211.13260	2.7
219.13773	9.6
225.11140	10.0
227.12840	3.6
243.12277	2.1
244.08594	1.8
267.15924	94.6
275.20035	2.1
281.13892	5.9
293.03824	1.6
299.14896	63.4
355.81726	1.8
411.07993	1.8
431.86246	2.2
445.25790	11.1
459.27551	7.5
463.26685	6.0
473.25409	28.6
474.25317	2.7
477.28384	7.5
491.26413	100.0
492.26770	5.0
509.27692	6.2
541.25983	2.0
724.88593	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.05035	0.7
57.03430	0.2
57.07078	1.1
58.06359	0.2
58.06636	0.5
58.50771	0.1
59.07393	0.2
60.08164	5.8
67.05508	0.6
69.07063	0.5
70.90596	0.3
71.07378	2.7
71.08630	0.9
79.05525	0.2
81.03420	1.8
81.07063	0.9
83.08617	0.6
85.10181	0.5
86.09705	27.8
87.10040	0.2
91.05491	0.3
93.07068	0.3
95.04964	0.5
95.08603	0.6
98.98470	2.2
104.10753	1.9
105.07017	0.3
107.08578	0.2
109.10168	0.4
111.08054	0.3
112.39683	0.1
119.08579	0.3
121.10136	0.2
123.11574	0.2
125.00005	18.2
131.08559	0.2
143.01038	0.3
157.10118	0.2
166.02570	0.2
175.11168	0.3
184.07339	100.0
185.07674	0.5
193.12257	0.7
251.70493	0.2
267.15918	2.6
313.27359	2.9
459.33820	0.2
505.32574	0.2
505.39053	2.1
606.57092	0.2
688.45435	11.7
689.45447	0.6
738.45972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
51.84695	0.2
53.03939	0.4
55.05508	0.2
56.96570	0.2
57.03431	0.2
59.70206	0.1
61.02911	0.1
65.03929	0.8
67.01880	0.2
67.05506	0.3
68.99789	0.2
69.03436	1.0
70.06578	0.3
71.04997	0.2
71.59971	0.2
71.60355	0.2
77.03905	0.2
79.05479	0.3
81.03419	2.1
81.07050	0.2
85.02914	0.9
89.03912	0.4
90.04685	0.1
91.05489	7.3
93.07061	0.3
95.04939	0.4
97.02909	0.4
99.04420	0.2
103.05476	0.4
105.03379	0.4
105.07014	0.3
107.04963	0.3
107.08605	0.1
109.02870	0.8
117.03401	0.3
118.04208	0.3
119.04951	11.1
119.08601	0.2
119.50235	0.1
120.05252	0.2
120.42995	0.1
121.02948	0.2
123.04417	0.3
127.03912	0.4
131.04921	0.3
132.02065	0.3
133.02823	0.5
134.03561	0.2
135.04404	0.4
136.05307	0.2
137.02345	0.4
137.05966	0.6
139.03865	0.4
145.02834	0.6
145.06496	0.1
146.03581	0.5
147.04417	10.3
148.04756	0.2
149.02342	0.5
149.05962	0.3
150.03183	0.2
151.03926	0.2
153.01816	3.8
154.02240	0.2
154.06268	0.2
157.03984	0.9
157.06514	0.2
161.06004	0.2
162.03093	0.2
163.03922	0.4
164.04686	2.0
165.01897	0.5
165.05460	0.4
167.07019	0.5
171.02901	0.8
171.06522	0.3
175.03915	18.8
176.04274	0.4
177.05505	1.6
177.75174	0.2
179.03404	0.5
179.07031	0.8
181.04961	2.8
191.07007	0.2
192.04199	1.6
192.89479	0.1
193.04997	0.2
194.05731	0.9
201.05463	0.2
207.06537	52.3
208.06918	1.2
213.05524	0.4
215.03383	0.2
217.04947	0.3
217.08553	0.4
219.10168	0.6
225.07481	0.3
229.04956	0.9
230.05939	0.2
231.06450	0.2
240.04144	0.2
241.05032	0.3
243.02766	0.2
243.06468	0.3
244.07332	0.2
245.04463	0.2
247.06097	0.3
251.09100	0.2
257.04486	1.6
258.05197	0.6
259.06058	0.5
260.03168	0.5
269.04541	0.4
270.05167	0.3
271.02341	0.5
271.06079	0.9
272.06805	0.4
273.07520	0.8
275.05545	1.8
277.06995	0.2
285.03979	1.3
286.04645	1.1
287.05484	1.3
288.02710	0.6
297.04089	0.3
299.01865	0.6
299.05569	0.6
300.02655	3.2
300.06241	0.9
301.03369	1.2
301.07129	1.2
302.04117	0.6
302.07382	0.4
303.04971	2.5
311.05450	0.3
313.03448	0.5
314.04288	0.2
315.05014	2.9
316.02255	0.3
316.05505	0.2
317.03177	0.3
317.06583	1.4
318.07297	1.0
327.04947	1.0
328.05756	0.3
329.06696	0.8
330.03607	0.4
331.04498	4.1
332.05118	0.5
345.06067	5.0
346.06851	29.9
347.07230	1.5
351.10739	4.0
351.15094	0.2
361.09183	100.0
362.09543	4.5
369.11823	2.9
402.16513	0.2
728.50806	0.5
729.20276	0.4
729.52594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.8
55.05270	0.8
55.05513	9.9
57.03445	4.6
57.07069	3.8
61.02929	5.5
63.34349	0.8
67.05176	1.2
67.05505	14.8
69.03426	3.3
69.06779	0.7
69.07072	7.9
69.37167	4.6
69.37596	3.2
71.04979	2.0
71.08626	7.3
73.02906	2.7
79.05495	8.0
81.03427	5.3
81.07055	19.4
82.07386	0.7
83.04979	3.5
83.08621	9.0
85.02906	6.7
85.06562	1.4
85.09788	0.7
85.10190	7.3
91.03976	4.2
91.05475	8.4
93.07041	11.0
95.04977	5.9
95.08603	10.6
97.02880	3.6
97.06539	4.4
97.10164	2.3
99.08085	5.8
101.02338	0.9
103.05480	0.8
105.07039	9.1
107.04940	3.3
107.08591	8.3
109.02869	1.6
109.06480	2.5
109.10158	7.8
111.04440	0.9
111.08083	10.3
113.09639	8.9
117.07027	1.4
119.08595	7.0
120.08107	1.4
121.06463	1.5
121.08448	1.0
121.10134	6.5
123.08064	1.8
123.11732	3.7
125.09626	1.5
127.03907	2.6
129.07021	1.8
131.08546	3.2
133.06552	0.9
133.10129	8.0
135.08098	1.0
135.11681	2.8
137.05975	1.4
137.09608	1.8
139.11160	1.1
143.08551	1.1
145.04932	1.2
145.10123	2.3
147.11688	8.4
149.09605	3.8
149.13286	3.6
151.11224	3.6
153.12701	1.4
157.10149	1.9
159.11751	1.6
161.13268	3.1
163.05989	1.3
163.11165	3.6
163.14851	1.2
165.12764	13.7
167.07076	1.2
171.11743	1.6
173.11691	1.3
173.13078	1.0
175.11240	1.9
175.14822	1.8
177.05479	1.7
177.12743	2.2
179.14299	3.0
185.13228	1.1
193.12193	1.0
207.13785	1.8
221.15417	1.0
229.14224	1.1
231.21086	1.6
240.71141	0.8
241.19461	1.7
244.55305	0.8
247.20390	0.7
249.22133	1.8
259.20575	2.8
269.17435	6.0
270.00021	0.8
277.21643	25.5
295.22690	24.0
296.23007	1.1
351.25278	38.0
352.25525	1.8
361.09167	2.3
365.15372	0.9
368.25244	0.9
369.26364	100.0
370.26642	5.5
374.15961	0.8
487.07874	0.9
495.29599	1.1
513.30573	2.6
531.31610	4.4
533.61383	0.9
728.35620	2.5
729.33447	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	726.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03941	2.0
54.20797	0.6
55.01882	5.6
55.05260	1.0
55.05510	13.6
57.03436	13.5
57.07059	1.4
60.08160	0.9
61.02649	0.9
61.02929	11.4
65.03928	2.0
67.05505	44.8
68.05809	0.8
69.03085	0.6
69.03431	8.0
69.07068	19.7
69.95842	2.2
69.96256	1.0
70.06612	0.8
71.01341	1.1
71.04993	4.7
73.02919	5.1
79.05494	32.8
79.05957	1.5
81.03417	15.0
81.07059	51.0
83.04980	11.3
83.08620	11.3
85.02424	1.3
85.02905	17.2
85.06538	3.3
86.09704	4.7
87.04464	0.7
91.03953	10.6
91.05481	24.0
93.07046	37.9
94.07346	1.0
95.04972	9.9
95.08604	21.2
97.02893	10.8
97.06531	15.1
97.10166	6.5
98.20837	0.8
99.04455	2.6
99.08099	3.9
101.02347	0.9
103.03925	1.8
103.05488	1.0
105.04495	0.7
105.06295	0.7
105.07027	19.4
107.04951	6.4
107.08594	25.8
108.08878	0.7
109.02879	2.7
109.06514	6.1
109.10153	11.7
111.04443	1.5
111.08077	4.9
113.09589	0.9
115.03925	0.9
115.05473	1.4
117.07018	10.6
119.04916	0.8
119.08580	16.3
121.06506	4.3
121.09315	0.9
121.10140	13.2
121.10999	0.6
123.04461	0.7
123.08065	3.1
123.11737	3.1
125.00014	3.1
125.05971	0.7
125.09654	4.5
127.03894	5.7
127.11318	0.6
129.05486	1.2
129.06989	3.4
131.04910	0.9
131.08572	13.9
133.06480	2.0
133.10127	18.7
135.08052	3.5
135.11693	18.6
137.05962	2.7
137.09604	2.3
138.06297	1.0
139.11182	1.4
141.07005	1.2
142.07835	0.7
143.08569	3.0
144.09351	0.7
145.04971	3.1
145.06491	1.0
145.09039	1.0
145.10127	12.3
147.04416	0.9
147.08028	1.4
147.11700	8.5
149.05888	0.9
149.09613	8.6
149.13252	14.1
151.07605	0.8
151.11195	2.4
153.12755	0.7
155.08582	1.6
156.37956	0.7
157.10092	3.6
159.08040	1.2
159.11699	20.6
161.09576	1.1
161.13248	4.1
163.06068	3.2
163.11174	8.7
165.09122	0.6
165.12740	1.5
167.07088	1.5
169.10114	2.0
171.10257	1.1
171.11719	2.5
173.04422	2.5
173.11745	1.8
173.13257	5.2
175.11259	2.1
175.14801	0.7
177.05540	1.1
177.12755	21.8
179.14272	7.1
181.12230	1.9
183.11664	2.3
184.07339	12.7
185.13264	1.3
187.11169	1.4
187.14809	1.0
189.11246	2.1
189.12744	0.7
193.12263	2.4
195.13788	5.3
197.13263	1.2
199.13199	0.8
199.14937	0.7
201.12775	0.9
205.12299	0.7
207.13750	0.6
211.13223	1.7
227.12772	2.2
229.14316	6.2
229.19516	1.8
233.15334	1.3
235.17021	0.8
239.17938	2.5
245.13765	1.4
247.20581	2.1
251.16466	5.8
253.17953	1.2
255.15916	41.1
257.19034	5.9
267.15915	5.2
269.17480	100.0
270.17749	1.0
275.16943	0.9
275.20062	18.1
283.15335	1.1
285.17059	2.0
293.21066	3.0
301.16428	0.8
309.20633	1.3
321.17084	0.9
349.23740	63.2
350.24060	1.2
367.24805	28.4
371.16745	0.8
377.19739	0.7
389.18130	1.6
391.24805	0.8
395.20419	0.9
413.21710	3.9
417.21405	1.5
419.24289	0.9
421.25970	1.3
431.22748	1.2
433.25778	0.7
437.25244	0.8
439.26434	0.9
447.27466	0.8
457.26028	1.2
461.28903	1.5
475.26776	1.3
479.29721	0.9
493.27374	3.2
511.29047	10.1
516.89264	0.6
529.29901	3.2
726.37445	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
54.69368	0.3
55.01875	2.6
55.05260	0.5
55.05516	7.6
57.03435	3.9
57.07072	0.6
59.04995	0.4
61.02923	4.3
65.03935	0.9
65.78288	0.3
67.05508	17.1
69.03432	2.1
69.07069	11.7
71.04993	1.6
73.02919	1.6
79.05127	0.2
79.05491	14.3
81.03422	4.2
81.07058	43.6
82.07378	0.5
83.04986	2.8
83.08624	7.2
85.02908	6.5
85.06546	1.8
85.18253	0.4
86.09711	1.5
91.03951	4.1
91.05485	12.6
93.07043	13.5
95.01328	0.4
95.04974	6.2
95.08604	11.6
97.02902	3.3
97.06525	4.0
97.10174	1.9
98.21500	0.8
99.04458	0.8
99.08097	2.3
103.05446	0.3
105.07034	11.7
107.04953	3.3
107.08601	9.1
109.02862	0.8
109.06522	16.3
109.10150	5.7
111.04472	0.3
111.08090	2.9
115.05451	0.5
116.40739	0.4
117.07007	4.0
119.04984	0.4
119.08582	10.7
121.06532	2.3
121.10149	7.0
123.08069	4.0
123.11690	3.0
125.00020	0.6
125.05975	0.4
125.09627	1.3
127.03903	1.7
127.07569	0.7
129.05502	0.6
129.06987	1.9
131.04887	0.4
131.08571	5.7
132.04433	0.3
133.06511	0.7
133.10133	8.9
135.08051	2.0
135.11691	4.5
137.05997	1.3
137.09613	2.0
137.13307	0.4
139.11267	0.4
141.06976	0.8
143.08551	1.2
145.04985	1.3
145.06483	0.8
145.10117	5.1
145.23125	0.3
147.04449	0.5
147.08051	1.0
147.11688	9.4
149.09627	4.5
149.13257	4.7
151.07559	0.5
151.11168	2.2
155.08543	0.6
155.70897	0.3
157.10127	2.4
159.08078	0.5
159.11694	4.4
161.09625	1.1
161.13266	1.6
163.06033	2.0
163.11188	4.0
163.14828	1.4
165.09244	0.5
165.12769	2.4
167.07169	0.4
169.10196	0.4
171.11719	1.4
171.22711	0.3
171.58246	0.3
173.09676	0.9
173.11877	0.5
173.13266	2.4
175.11172	1.9
175.14832	0.7
177.05479	0.5
177.12735	2.2
179.14313	1.0
183.11708	0.9
184.07307	3.4
185.13370	0.5
187.11211	0.9
187.14835	0.9
189.12758	0.5
191.10765	0.4
191.14313	0.4
193.12222	2.5
195.13725	0.8
197.13260	0.6
197.66992	0.4
201.12737	0.4
201.16466	0.4
205.19531	0.3
207.13762	0.5
211.13225	0.8
215.17734	0.4
219.13756	0.4
229.14272	0.8
229.19392	1.5
239.17984	1.1
247.20677	2.3
255.15913	1.7
257.19028	2.9
267.15967	2.1
268.16306	0.4
269.17462	3.6
275.20084	17.8
276.20499	0.5
285.17175	0.8
293.17969	0.3
293.21085	4.5
348.09860	0.4
349.23734	64.6
350.24072	1.1
366.16324	0.3
367.24792	100.0
368.25174	1.7
374.15997	0.8
391.24869	0.3
439.26483	0.5
447.17670	0.4
447.27576	0.6
461.28574	1.7
475.26538	0.4
479.29367	1.0
493.27850	1.5
511.28958	4.1
529.30176	7.1
726.36475	0.4
727.31549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54575	0.4
53.03941	1.4
55.01878	3.3
55.05509	7.8
57.03439	5.2
57.07073	0.5
59.04998	0.7
60.08135	0.4
61.02927	6.5
64.72515	0.3
65.03948	1.1
67.05504	19.0
69.03441	2.1
69.07068	12.1
69.29856	3.6
71.04988	2.2
73.02917	2.7
74.71464	0.3
78.34701	0.4
79.05491	16.7
80.05829	0.5
81.03416	5.4
81.07053	53.3
83.04980	3.7
83.08614	9.2
85.02901	8.0
85.06548	1.7
86.09702	1.6
91.03947	5.7
91.05478	15.0
93.07040	16.1
94.07410	0.5
95.01362	0.4
95.04961	6.8
95.08604	14.1
97.02888	3.9
97.06530	5.6
97.10170	1.9
99.04470	1.1
99.08089	1.6
103.05428	0.8
105.07024	13.5
107.04948	4.7
107.08586	10.2
109.02833	0.7
109.06514	17.5
109.10151	7.0
111.04379	0.4
111.08061	3.0
117.07024	5.0
119.08575	13.1
121.06504	2.7
121.10148	9.4
123.08058	4.9
123.11695	4.0
125.00008	0.8
125.09645	1.9
127.03920	2.2
127.07578	0.6
129.06989	1.8
131.04919	0.5
131.08577	7.2
133.06502	1.2
133.10132	10.7
135.08055	2.4
135.11679	4.8
137.05984	1.4
137.09616	2.4
139.11188	0.6
143.08566	1.3
145.04968	2.2
145.06468	0.5
145.10123	6.4
147.08000	1.1
147.11691	11.7
149.09619	4.6
149.13258	5.4
151.07495	0.5
151.11195	1.8
153.09116	0.5
155.08530	0.9
157.10091	2.6
159.08018	0.6
159.11693	5.8
161.09613	0.9
161.13243	1.6
163.06015	1.9
163.11179	4.6
163.14828	1.3
165.12776	3.4
169.10083	0.6
171.10370	0.4
171.11702	1.6
173.09645	1.1
173.13188	2.8
175.11140	2.3
177.05383	0.5
177.12738	2.3
179.14336	0.7
181.04813	0.5
183.11761	0.9
184.07336	3.8
187.11179	0.7
187.14821	1.1
189.12708	0.6
191.10626	0.6
191.14264	0.9
193.12280	2.4
195.13916	0.5
196.66609	0.5
197.13280	0.9
201.12788	1.1
205.12296	0.5
205.15889	0.6
207.13887	0.6
211.13158	0.6
215.17894	0.5
219.13799	0.7
229.14374	1.4
229.19478	2.0
239.17975	1.3
247.20605	2.7
255.15918	1.6
257.18961	2.2
263.56711	0.4
267.15906	2.1
268.16226	0.5
269.17514	3.6
275.20053	19.7
285.16977	0.7
293.21094	5.0
341.53217	0.4
344.78470	0.4
349.23715	66.0
350.24005	1.3
367.24771	100.0
368.25119	2.2
391.24664	0.5
439.26895	0.5
447.27451	1.0
460.27875	0.6
461.28369	2.0
469.29309	0.4
475.26334	0.5
479.29535	0.8
493.27954	1.6
511.28937	4.5
529.30103	7.1
569.38824	0.4
715.33545	0.5
726.42932	0.7
752.11029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31871	0.5
53.03978	1.9
55.01868	3.0
55.05514	10.3
55.21704	0.5
57.03439	5.3
57.07093	1.0
60.08184	0.7
61.02933	7.4
65.03964	1.7
67.05509	24.7
69.03436	3.1
69.07076	10.2
69.71593	2.8
69.72001	0.8
70.06607	1.3
71.05000	3.8
73.02918	2.8
77.03941	0.6
79.05501	19.1
79.05951	1.2
81.03419	8.8
81.03838	0.9
81.07060	50.0
82.07430	0.6
83.04987	4.0
83.08623	10.2
85.02910	8.9
85.06581	2.3
86.09715	4.1
91.03967	6.4
91.05482	16.3
93.07047	15.3
95.04976	10.7
95.05542	0.7
95.08609	14.5
96.09000	0.6
97.02901	4.9
97.06533	4.5
97.10167	2.9
98.21519	0.6
99.04481	1.6
99.08136	1.6
103.05502	0.9
105.07034	16.3
107.04960	7.6
107.08598	11.7
109.06527	19.9
109.07227	1.1
109.10155	9.4
109.10813	0.8
111.04514	0.7
111.08082	4.0
113.06042	0.7
115.03960	0.7
117.07021	5.7
117.89415	0.6
119.05000	1.0
119.08588	16.2
120.08940	1.1
121.06501	4.7
121.10149	8.2
123.08065	5.7
123.11732	2.8
124.99993	3.2
125.09680	2.3
127.03901	3.1
129.05592	0.7
129.06989	3.2
131.08566	7.9
133.06552	1.1
133.10143	13.2
135.08061	3.5
135.11700	5.1
137.06061	1.6
137.09630	2.7
139.11226	1.4
141.06995	0.9
143.08621	1.9
145.05003	2.1
145.06531	0.7
145.10136	7.9
147.04417	0.9
147.08107	1.4
147.11688	11.9
147.12778	0.8
149.09625	7.1
149.13243	5.6
151.11261	2.6
155.08614	1.0
157.06566	0.8
157.10120	3.3
159.08080	1.1
159.11687	6.3
161.09669	1.5
161.13315	2.0
163.05946	3.0
163.11198	7.3
163.14897	1.2
165.12753	3.3
167.07086	1.4
169.10184	1.8
171.10164	0.5
171.11662	1.2
173.09702	1.3
173.11870	1.0
173.13332	2.2
175.11189	3.4
175.14745	0.9
177.05435	0.9
177.12755	2.7
179.14357	1.1
181.12384	0.8
183.11708	1.3
184.07350	14.9
185.13229	0.6
187.11227	1.1
187.14830	0.9
189.12834	0.9
191.14342	1.7
193.12325	3.7
197.13350	1.1
207.13890	1.1
211.13184	1.1
215.14499	0.6
215.17873	1.0
219.13995	1.2
227.12926	0.7
229.14406	2.1
229.19647	2.0
230.14949	0.6
233.19170	0.6
239.17982	1.6
247.20636	2.9
257.19073	3.5
259.20560	0.6
267.15942	4.0
271.53650	0.7
275.20078	33.4
276.20401	1.0
284.12759	0.8
285.16962	1.4
293.21158	6.8
331.08411	0.7
349.23752	100.0
350.24225	2.7
365.15302	1.9
367.24802	96.6
368.25058	2.8
421.25690	1.7
435.27432	0.7
443.27679	1.0
447.27502	5.5
461.28952	11.0
475.26678	0.6
478.28366	0.8
479.29840	3.0
493.27048	0.6
511.28833	2.9
529.30127	4.3
710.46936	0.6
726.35156	2.0
727.31555	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.4
53.03951	4.2
55.01881	3.4
55.05264	1.5
55.05516	17.3
57.03443	14.9
60.08167	2.4
61.02924	11.1
65.03958	2.4
67.05509	45.9
68.05836	2.0
69.03439	8.1
69.07076	18.8
69.96046	6.6
70.06592	3.0
71.04993	5.8
73.02917	5.3
74.42462	1.4
79.05499	33.0
81.03426	26.8
81.07063	55.3
82.03762	1.5
82.07425	2.0
83.04995	10.4
83.08621	16.1
85.02917	17.3
85.06554	3.9
86.09717	8.1
91.03979	9.3
91.05482	29.2
93.05494	1.4
93.07052	44.2
94.07406	1.4
95.04974	20.5
95.08614	20.4
97.02907	11.2
97.06535	13.9
97.10179	6.5
99.04433	2.6
99.08092	3.8
99.33775	1.4
103.03978	2.3
105.07034	22.4
107.04952	10.9
107.08607	26.1
109.02885	3.5
109.06534	8.7
109.10164	12.4
111.04444	2.5
111.08096	8.5
115.05479	1.4
117.07030	12.5
119.08572	17.1
120.08902	1.5
121.06525	4.5
121.10148	15.8
123.08083	3.6
123.11716	4.0
125.00020	5.3
125.09682	7.4
125.10435	1.2
127.03920	5.2
129.05493	1.9
129.07024	4.6
131.04941	1.9
131.08575	15.2
133.06519	2.1
133.10138	16.1
135.08046	5.5
135.11713	16.5
137.05952	2.1
137.09555	3.2
139.11234	1.5
143.08568	2.5
145.04968	2.8
145.10130	11.2
147.04417	2.5
147.08064	2.2
147.11681	13.2
149.09644	9.6
149.13286	11.4
151.11203	2.9
153.09074	2.6
155.04988	1.4
157.09027	1.5
157.10179	5.7
159.11717	18.1
161.05971	1.4
161.09584	1.3
161.13292	3.6
163.06046	4.5
163.07520	1.4
163.11195	10.2
165.12839	2.7
167.07014	3.3
168.19029	1.3
169.10164	1.9
171.11697	3.2
173.04494	2.8
173.09602	1.6
173.11743	3.5
173.13289	4.0
175.11221	4.3
177.05487	1.5
177.12776	18.4
179.14345	7.8
181.04967	1.4
181.12195	1.8
184.07352	27.6
187.11240	1.7
187.14830	1.9
189.11256	2.3
189.12743	1.4
189.16249	1.5
193.12219	6.7
194.12602	1.7
195.13838	3.2
197.13280	1.6
207.06564	2.2
211.13324	5.9
223.13338	5.2
227.12856	3.1
229.14398	7.6
229.19553	2.6
233.15474	2.1
239.17928	2.4
243.15990	1.8
247.20668	2.4
251.16455	5.3
255.15926	31.6
257.19034	5.4
267.16010	15.3
268.16241	5.1
269.17517	100.0
275.20105	25.2
283.15436	2.5
285.16934	3.7
293.21115	10.4
301.16556	2.0
309.20654	2.5
331.22668	1.8
349.23721	51.0
367.24826	60.3
374.15674	1.7
385.25851	4.6
387.24887	1.6
389.17932	1.7
413.21701	4.7
417.21390	1.7
419.24295	1.8
421.25858	2.8
437.25320	2.0
439.26694	2.1
447.27591	4.3
460.27756	4.4
461.28525	10.9
477.28342	2.5
478.28961	2.2
479.29266	6.2
493.28217	2.0
511.29037	7.7
529.30096	3.4
726.43964	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	724.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
53.89174	0.2
55.01876	2.2
55.05515	8.9
57.03447	2.8
57.07067	0.5
59.04980	0.4
59.65456	0.3
61.02930	2.7
65.03927	0.4
66.01958	0.2
67.05510	11.9
69.03434	4.3
69.07072	11.4
70.06558	0.3
70.38194	0.3
70.38541	0.9
71.04964	1.2
73.02915	1.2
79.05498	10.2
81.02987	0.4
81.03424	5.8
81.07059	8.7
82.09679	0.3
83.04978	2.5
83.08137	0.3
83.08619	5.4
85.02911	5.2
85.06537	0.4
86.09728	0.3
87.04458	0.5
89.36293	0.2
91.03956	2.7
91.05486	7.6
93.07052	8.9
94.04163	0.3
94.20930	0.3
95.01305	0.3
95.04461	0.3
95.04975	4.3
95.08057	0.3
95.08613	3.9
97.02896	7.4
97.06537	1.4
97.10178	7.0
97.10809	0.3
99.04443	0.5
105.06402	0.4
105.07040	5.3
107.04963	3.4
107.08602	6.4
109.02854	0.8
109.06525	1.5
109.10167	5.4
111.04432	0.8
111.08107	1.7
113.05996	0.3
115.05441	0.4
117.07040	3.3
119.04925	0.9
119.08591	5.8
121.06512	2.1
121.10154	2.6
123.08086	1.8
123.11646	0.7
125.09634	6.5
127.03895	1.1
128.06198	0.3
129.06999	1.6
131.08585	3.7
133.06534	1.5
133.10135	3.7
134.07236	0.4
135.08075	1.9
135.11693	1.4
137.05968	0.5
137.09604	1.4
139.11221	0.3
143.08565	1.6
145.04964	0.9
145.06467	0.4
145.10149	2.5
147.04420	0.4
147.08034	2.5
147.11679	1.3
149.09639	1.5
149.13235	0.7
151.11171	1.2
153.09055	0.9
153.12666	0.4
155.08559	0.6
157.10168	1.9
159.08060	0.6
159.11700	1.0
161.09616	1.2
161.13266	0.4
162.10286	0.4
163.06023	1.0
163.11198	1.2
165.09061	0.7
165.12735	0.4
167.07103	0.3
169.10048	0.4
171.10280	0.4
171.11690	0.9
173.09601	0.5
173.11807	0.4
175.11188	1.6
177.12727	0.8
179.10738	0.4
184.07379	0.6
185.13287	0.3
189.11220	3.1
189.12761	0.4
191.10600	0.2
193.12265	3.6
195.13771	0.7
199.11227	0.3
199.13257	0.4
205.12280	1.1
209.11755	0.3
211.13330	2.4
223.13306	11.3
227.12773	3.7
227.17975	0.4
229.14346	1.2
245.13840	0.7
245.18996	1.0
249.14844	1.6
253.14348	1.0
255.17593	0.4
261.14853	0.3
263.20084	0.4
263.29910	0.2
267.15903	2.5
268.24106	0.2
273.18506	6.3
274.18826	0.3
283.15417	1.2
285.16980	11.1
291.19553	48.7
292.19861	1.7
301.16550	0.5
307.19046	0.7
309.20703	0.3
347.22229	3.0
365.23245	100.0
366.23605	3.0
383.24435	0.7
407.24576	0.4
414.11871	0.3
417.22852	0.3
429.21249	1.5
455.26547	0.3
459.27429	0.8
477.28534	0.8
491.26096	0.5
509.27597	2.1
527.28467	5.3
618.66766	0.3
689.33832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01877	3.7
55.05515	11.1
56.96558	0.7
57.03188	0.9
57.03439	11.8
59.04983	0.9
61.02904	1.5
61.52067	0.6
65.03943	1.0
66.77113	0.6
67.05507	19.8
69.03424	3.3
69.07069	6.4
70.06586	1.1
70.07397	0.7
70.07698	3.5
71.01353	1.3
71.04986	3.5
73.02925	1.3
74.68575	0.6
79.05061	1.0
79.05494	16.6
81.03419	79.0
81.07059	21.8
82.03732	0.7
83.04981	9.6
83.08619	21.3
85.02908	12.0
85.06506	1.6
86.09677	1.0
89.66510	0.6
91.03934	0.7
91.05479	23.1
93.07046	16.3
95.04973	25.6
95.08052	0.9
95.08608	8.9
97.02899	3.7
97.06525	3.9
97.10180	5.7
97.76096	0.7
98.20859	1.1
99.04460	0.6
99.08057	1.4
103.03974	0.6
103.05469	0.9
105.07031	17.9
107.04966	7.7
107.08606	8.5
109.02859	0.6
109.06509	4.9
109.10168	7.8
111.04457	3.3
111.05116	0.6
111.08085	10.0
113.06037	1.5
115.05462	1.2
115.82626	0.6
117.07006	2.9
119.04984	1.0
119.08585	17.3
121.06510	4.8
121.10138	10.3
123.04458	1.3
123.08073	4.4
123.11684	1.9
125.05994	0.8
125.09651	4.6
127.03819	0.7
127.07546	0.6
129.07002	9.4
131.04904	1.8
131.08571	12.0
133.06482	3.9
133.10126	9.5
135.08054	2.4
135.11707	2.3
137.05978	2.8
137.09570	2.3
137.13196	0.6
139.03867	1.0
140.30093	0.6
141.05467	1.0
141.06868	0.7
142.07777	2.2
143.08519	1.4
145.06526	3.7
145.10118	4.0
147.04407	1.2
147.08052	4.3
147.11697	13.9
149.09647	6.2
149.13293	1.2
151.07477	0.7
155.08557	1.5
157.06467	1.3
157.10129	14.0
159.08037	1.4
159.11673	0.8
161.05969	1.2
161.09656	1.4
163.11145	3.2
165.12766	2.6
169.10133	1.4
171.08047	1.3
171.11665	1.1
173.09599	1.3
173.11813	1.6
173.13235	0.6
175.11200	14.6
177.05522	0.6
184.07372	2.5
185.09550	1.2
185.11778	0.7
185.13254	1.0
187.11082	0.9
189.11221	1.3
189.12717	1.6
191.10645	1.4
193.12256	33.1
197.13194	1.0
199.11041	0.7
205.12315	1.1
209.11758	1.9
211.13271	16.0
213.12720	1.0
227.12752	2.2
229.14252	3.9
231.13939	0.8
233.15335	1.2
235.13258	0.8
249.14871	2.7
255.13863	2.4
267.15921	100.0
268.16217	2.1
273.14804	3.7
283.15485	2.5
285.16974	15.4
287.05338	0.7
301.06943	0.8
301.16580	1.3
339.23343	0.9
341.21155	1.9
349.21667	2.4
365.23206	1.4
367.22650	6.0
385.23682	10.1
403.24954	3.5
423.25479	0.8
431.31482	2.0
433.25848	14.1
441.26425	6.7
449.32587	5.1
455.26166	0.7
459.27429	79.6
460.27682	1.8
477.28525	51.8
478.28650	1.2
491.30566	1.3
501.28250	0.7
519.29504	1.0
526.27679	0.9
527.28058	3.4
545.29437	0.9
577.23358	0.8
585.30707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.9
55.01867	2.4
55.05520	5.0
57.03444	7.1
57.09177	0.7
57.83013	0.9
60.28053	0.7
61.02932	1.1
65.03948	0.8
67.05502	13.7
69.03425	2.3
69.07069	3.8
71.01359	1.1
71.04994	2.3
71.59039	1.2
73.02958	0.9
79.05495	16.3
81.03419	40.9
81.07059	16.0
83.04995	4.8
83.08618	11.5
85.02924	2.8
85.06544	1.1
91.05489	12.5
93.07050	21.4
95.04969	12.2
95.08610	19.1
97.02892	4.5
97.06564	3.8
97.10180	2.3
99.04453	2.9
103.05466	0.8
105.07028	10.3
107.04952	7.7
107.08597	14.6
109.02982	0.9
109.06534	3.1
109.10184	2.7
111.04444	3.1
111.08098	5.3
115.05481	1.0
117.07035	4.4
119.08585	12.9
121.06491	4.1
121.10149	10.6
123.04382	1.0
123.08060	1.6
125.05988	2.2
125.09647	1.0
127.07581	0.9
129.07031	4.4
131.08589	5.9
133.06516	1.5
133.10112	6.5
135.08078	1.4
135.10675	1.8
135.11699	28.3
137.09648	1.7
139.07524	1.3
142.07735	1.2
143.08528	0.9
145.10136	17.3
147.04391	1.2
147.08095	2.0
147.11697	4.4
149.09660	3.9
151.03891	0.9
153.12697	1.2
155.08647	0.8
157.10135	7.0
161.09639	0.8
163.11186	41.8
165.12732	1.4
173.09628	2.0
173.48036	0.7
175.11160	5.2
177.05547	1.6
181.12253	7.2
184.07349	0.8
191.10698	1.3
193.12231	13.0
209.11739	2.0
211.13380	1.9
227.12790	39.7
242.21759	0.8
249.14938	1.0
265.14432	1.3
267.15918	83.7
268.16321	1.8
275.20193	1.0
278.24561	0.8
283.15399	52.1
284.15939	0.8
296.18808	0.9
475.26935	100.0
476.27386	2.9
493.28021	2.8
517.27411	1.1
525.29865	1.3
722.40137	1.2
728.93146	1.0
738.43073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49877	1.3
53.03941	2.7
53.92505	1.2
55.01871	2.4
65.03946	4.3
67.05497	3.2
69.03425	2.4
69.42784	12.1
70.06606	2.8
71.04996	2.0
75.04478	2.0
79.05504	5.8
79.83125	1.3
81.03406	3.2
81.07065	2.7
85.02914	7.2
89.06035	1.6
91.05489	10.1
93.03394	6.8
93.07054	5.8
95.04987	6.1
95.08595	2.3
97.02885	3.2
97.06544	2.9
103.05470	18.9
105.04515	1.4
105.07045	6.1
106.04193	9.8
107.01253	1.3
107.04955	8.0
109.02889	3.1
109.06573	2.0
109.10197	1.5
111.04492	2.4
114.05499	1.3
115.05445	3.7
117.07027	5.1
118.04196	3.9
119.04961	6.0
119.08649	1.5
121.06509	14.9
122.03677	4.0
123.04424	3.7
125.06001	6.3
129.06998	2.2
131.04941	34.4
132.05788	1.5
133.02879	2.3
133.06509	4.9
133.10118	1.5
134.03668	4.0
135.04446	2.0
135.08090	2.4
137.05991	59.3
139.03867	2.3
143.04947	2.2
145.02859	1.9
145.06511	4.7
147.04433	3.7
147.08020	1.8
148.05217	11.5
149.05992	25.2
151.03915	67.7
151.04953	3.9
151.07588	2.5
153.05446	3.3
153.09146	5.6
157.06456	2.2
159.04463	1.4
159.08035	1.7
159.33240	1.4
161.05984	6.0
162.01381	1.6
163.03915	4.8
163.07565	22.3
165.05481	5.1
166.02713	1.4
167.07051	28.0
168.71242	1.5
170.71240	1.3
171.06537	3.2
173.06036	3.9
174.06808	1.8
175.07571	5.2
176.04718	2.4
177.05469	18.6
177.09152	1.3
179.06996	3.0
181.04988	40.9
181.08521	11.2
187.07645	2.3
189.09152	3.4
191.07043	100.0
193.03227	3.2
193.04985	2.5
193.08525	2.3
195.06570	3.6
203.07098	4.2
205.08626	4.6
207.06488	3.1
207.10316	2.2
209.08104	79.8
219.10204	4.3
221.08127	2.1
223.04260	14.6
231.06612	1.3
233.08195	2.5
234.06895	1.4
234.61688	1.3
235.07492	1.5
235.09724	4.6
245.08086	2.0
251.06931	1.4
263.06552	2.6
263.09161	27.3
265.08514	2.9
267.10205	2.2
283.09445	1.6
297.11368	1.9
300.09323	1.9
312.08994	3.2
327.12460	2.7
337.10907	1.6
339.12286	1.7
355.11749	7.2
357.13226	1.7
359.14853	1.7
363.05139	5.2
369.13419	4.5
385.13330	1.8
387.14465	34.8
391.04718	2.3
417.15652	6.3
529.07916	6.2
547.19739	2.0
717.47101	14.7
718.24695	1.9
718.47858	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	718.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59043	1.0
55.05508	3.9
56.37225	1.0
57.07078	67.4
58.07417	1.0
59.05005	13.6
67.05518	5.8
69.07066	2.4
69.38016	3.9
69.38434	7.0
71.08635	61.1
73.02968	1.4
73.06568	5.4
79.05505	2.9
80.06746	1.1
80.74400	1.0
81.03427	2.5
81.07056	4.0
83.08618	4.1
85.10189	59.5
87.04478	18.3
89.06036	100.0
91.05473	2.8
93.07046	2.8
95.04987	2.2
95.08608	2.6
96.41480	1.0
97.10173	1.4
98.21469	2.3
99.11740	4.0
103.07603	6.8
105.07058	1.2
107.04923	1.1
107.07083	5.0
109.10166	1.8
113.06041	1.4
117.09159	4.6
119.08585	2.6
121.10120	1.4
129.32047	1.1
130.08653	5.8
131.07031	6.1
133.08609	83.7
141.16397	4.9
147.10229	1.2
149.09645	1.4
161.11766	1.9
175.09622	5.2
177.11241	36.6
184.07333	2.3
199.20564	5.6
219.12292	3.4
221.13858	7.8
226.01135	1.3
239.14813	2.6
243.23187	5.6
265.16437	1.3
267.15887	3.2
283.17535	4.0
309.19232	2.0
313.27432	1.5
327.20096	2.6
340.70377	1.0
353.21698	1.5
415.25375	2.0
459.27982	2.4
485.29446	1.6
503.30743	13.3
503.37646	1.6
543.33954	1.5
701.49976	1.9
718.54425	9.1
719.41138	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
57.03438	0.7
57.07072	0.8
67.05519	2.8
69.07061	1.6
71.59404	0.8
79.05515	2.1
81.03429	1.0
81.07059	3.1
83.08618	1.4
91.05485	1.8
93.07040	1.3
95.04970	1.0
95.08610	1.6
97.02868	0.6
97.10188	0.5
105.07034	1.0
107.08582	1.1
109.06536	0.6
109.10170	1.1
117.07050	0.8
119.08602	1.3
131.08595	1.2
133.10138	1.5
139.75568	0.5
143.08568	0.7
147.11691	0.7
159.11708	0.6
169.10217	0.5
171.11736	0.4
203.05344	1.7
253.38171	0.4
259.08054	1.4
275.20139	0.5
277.21732	0.7
287.05521	0.8
291.19522	0.7
311.26077	0.7
341.25174	0.6
347.09637	1.2
365.10629	3.8
379.61646	0.5
421.13483	1.6
541.33557	25.0
542.33698	1.7
653.25830	1.0
703.38770	100.0
704.28064	0.8
704.39166	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	707.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
62.65683	0.4
65.18383	0.4
69.03420	0.8
70.06590	0.9
70.19480	1.0
70.19880	1.2
74.12173	0.4
82.99861	0.9
85.02891	1.6
94.99875	0.4
97.02888	1.5
101.00894	1.8
103.02397	0.5
109.02888	0.5
110.24970	0.5
113.00883	0.5
119.01923	9.2
119.94609	0.4
125.49054	0.5
127.02455	0.6
127.03848	0.7
131.01924	2.8
137.01920	0.8
137.02945	1.1
143.01892	10.3
145.03471	5.9
147.01367	1.6
149.01822	0.6
149.02939	0.8
155.01895	6.1
157.03493	3.5
161.02979	17.2
163.04501	1.4
167.01884	4.4
169.03461	1.5
171.05029	2.1
173.02975	14.6
175.04535	1.2
175.11896	1.5
179.01920	1.6
184.04630	0.8
185.02948	32.5
186.03064	0.6
187.04556	3.8
191.04073	1.1
196.04509	1.1
197.02971	13.4
203.03708	9.3
203.05392	5.4
208.04565	1.1
209.02972	1.1
215.04027	9.8
220.04640	0.5
221.05074	1.2
227.04027	8.0
239.04022	0.8
245.05092	100.0
246.05283	2.8
257.05109	5.2
263.06146	14.4
264.06552	0.5
275.06158	11.5
282.07382	0.5
284.06635	1.0
286.07773	1.5
293.07178	2.9
295.25763	0.5
305.07208	13.7
305.10510	0.5
306.07294	0.5
316.08786	0.9
317.07257	0.7
335.08398	3.1
347.08109	1.3
353.14716	0.6
362.09567	1.0
364.58948	0.5
365.09601	47.9
366.09555	2.0
383.10324	4.8
406.12299	0.5
407.10251	0.7
425.11441	51.3
426.11667	1.3
437.11450	3.7
455.12567	3.9
475.23904	0.5
485.13608	1.9
707.14203	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.3
53.03931	0.9
55.01851	0.4
57.03429	0.6
59.36910	0.3
65.03929	1.3
67.05492	1.2
69.03439	1.8
69.07066	0.4
69.33723	2.8
70.06580	0.6
71.04975	0.6
73.02903	0.3
77.03931	0.5
79.05502	0.7
81.02982	0.4
81.03426	4.8
81.07050	1.3
85.02905	1.6
91.05485	22.5
93.07032	0.5
95.04955	0.8
95.08585	0.5
97.02885	0.7
97.05495	0.3
99.04445	0.3
103.05436	0.9
105.03372	0.9
105.07019	0.8
107.04948	0.8
107.08587	0.7
108.79421	0.3
109.02865	1.4
109.06490	0.3
109.10134	0.6
118.04120	0.5
119.04951	31.1
120.05298	0.4
121.02831	0.3
121.06532	0.3
125.79822	0.3
127.03922	0.6
131.04922	0.7
132.02049	1.6
133.02834	0.4
133.10112	0.5
135.04388	0.4
135.11737	0.4
136.05190	0.5
137.06017	0.7
145.02841	1.0
146.03609	0.4
147.04416	27.0
147.11810	0.3
148.04752	0.7
149.02319	0.9
151.03963	0.5
151.62712	0.3
157.03964	2.0
161.09705	0.3
162.03122	0.3
162.05498	0.4
163.07475	0.3
164.04683	0.8
167.07076	0.9
175.03915	45.2
176.04277	0.8
177.05464	0.6
179.07050	2.6
184.07343	0.6
191.03915	0.3
191.07001	0.5
192.04207	0.7
203.07063	0.4
203.40416	0.3
207.06531	100.0
208.07036	1.7
225.07631	0.3
231.06564	1.4
242.05403	0.3
259.06033	5.6
271.05948	0.3
287.05521	7.1
300.06430	0.6
301.07065	1.3
302.07803	0.5
315.05017	21.4
315.08463	1.2
316.05380	0.5
317.06689	0.5
329.06625	1.6
330.07352	28.3
331.07715	1.1
345.09702	92.2
346.10114	2.6
351.10767	6.1
369.11899	4.1
447.27258	1.0
448.27600	0.8
507.14706	0.4
641.31104	0.4
713.33105	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	714.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05512	5.3
56.05027	2.4
56.77412	0.7
57.07068	2.9
58.06612	1.2
60.04518	2.0
65.03933	0.8
67.05501	9.4
68.05022	0.9
69.03434	0.9
69.07066	5.1
69.12263	0.7
70.00185	2.8
70.06578	1.6
71.08627	1.5
79.05486	7.8
80.05013	3.4
81.05801	1.1
81.07063	10.6
81.64516	0.8
82.06600	7.2
83.08616	4.2
85.02913	1.7
85.10174	0.8
86.24451	0.8
91.05472	6.6
93.07043	7.5
94.06565	15.2
95.04934	1.8
95.07357	7.1
95.08620	8.0
96.08133	4.7
97.02905	0.9
97.10185	3.2
98.21404	1.4
105.07036	4.8
107.07317	0.7
107.08609	6.0
108.08115	3.1
109.10162	3.5
119.08617	5.0
121.10133	6.0
122.09670	2.3
123.11759	1.6
124.63432	0.8
133.10109	4.3
135.11684	2.4
136.11165	0.8
147.11740	1.4
154.12245	0.8
161.13210	1.0
219.21222	0.7
233.22652	3.6
245.22676	4.0
250.25284	8.3
254.24826	1.4
262.25311	100.0
263.25745	1.6
272.25891	4.7
280.26337	7.7
338.23178	0.8
357.78604	0.8
504.47696	4.0
516.47736	30.1
518.49426	3.8
534.48798	19.7
696.53394	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	699.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58671	0.1
53.62710	0.1
57.80360	0.1
62.26580	0.1
64.27274	0.1
66.83025	0.1
67.05454	0.3
70.03777	0.1
70.32524	0.3
70.32932	0.2
70.82632	0.1
73.02882	0.2
79.05445	0.2
81.06997	0.2
93.06992	0.3
95.08559	0.2
109.10091	0.1
119.08534	0.1
121.06596	0.1
128.83466	0.1
133.03429	0.2
161.02896	0.1
183.96407	0.2
185.04228	0.8
203.05273	0.1
214.27072	0.1
230.34904	0.1
240.23387	0.1
259.07990	0.7
277.07608	0.2
301.20071	0.6
319.21298	0.3
347.09601	1.0
360.16672	0.1
375.24963	0.3
421.12744	0.2
536.79987	0.2
537.30359	21.3
538.30646	1.3
617.81958	0.2
699.35590	100.0
700.35956	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	701.371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05506	0.4
57.03442	0.4
67.05492	1.3
70.63005	0.8
70.63368	0.7
79.05504	1.1
81.03457	0.5
81.07053	1.2
82.75354	0.3
85.02882	0.4
87.91662	0.3
91.05475	0.7
91.64216	0.3
93.07038	0.5
95.08611	0.5
105.06984	0.7
105.75956	0.4
107.08611	0.5
109.10179	0.7
117.06998	0.4
119.08622	0.5
121.10141	0.4
133.10201	0.5
135.54944	0.4
145.10005	0.4
157.20476	0.4
185.04317	0.4
195.10062	0.4
229.14461	0.8
249.87817	0.3
321.22855	0.6
347.09604	1.0
400.84927	0.4
409.27493	0.4
503.33417	0.4
504.34308	0.7
539.31952	22.8
540.32306	0.7
701.37170	100.0
702.37543	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	701.372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02798	0.2
55.05508	0.3
58.60366	0.2
67.05502	0.8
68.11636	0.2
69.03405	0.3
69.07076	0.3
77.90414	0.2
79.05502	0.2
81.07072	0.9
83.01064	0.2
83.08617	0.2
91.05509	0.5
93.07053	0.6
95.08624	0.3
105.07046	0.4
107.08601	0.3
109.10174	0.2
119.08590	0.4
121.10205	0.2
125.09691	0.2
131.08575	0.3
133.10229	0.2
135.11755	0.2
149.02368	0.3
152.42505	0.2
181.76335	0.2
185.04311	0.8
203.05304	1.5
259.07968	1.0
305.08160	0.3
309.22446	0.2
321.22833	0.4
333.18002	0.2
339.23914	0.2
347.09363	1.3
365.10535	3.1
365.14828	0.3
421.13052	1.0
446.41827	0.2
508.95584	0.2
539.31940	20.9
540.32275	0.9
551.73322	0.2
603.46948	0.2
701.37201	100.0
702.37573	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	699.1921
Annotation	CHEBI:75353
Peak:m/z	Relative Intensity
51.02404	0.1
53.03935	0.2
53.77372	0.1
57.03420	0.2
65.03925	0.5
67.05493	0.2
68.99802	0.2
69.03416	0.6
69.07070	0.1
69.82979	0.7
71.04972	0.1
77.03918	0.2
79.05495	0.1
81.02976	0.2
81.03413	2.0
81.07046	0.3
85.02910	0.8
89.03914	0.3
91.05479	6.7
93.07032	0.3
95.04977	0.1
95.08584	0.2
97.02890	0.2
99.04446	0.2
99.78420	0.1
103.05471	0.3
105.03374	0.2
105.06998	0.2
107.04968	0.2
107.08603	0.2
109.02870	0.8
109.10146	0.3
117.03340	0.1
119.04940	10.9
120.05254	0.2
121.02856	0.2
121.06509	0.1
122.03657	0.1
124.05195	0.4
127.03905	0.3
129.03343	0.1
131.04915	0.2
132.02057	0.4
133.02827	0.3
134.03625	0.2
135.04399	0.2
136.05194	0.2
137.02318	0.3
137.05972	0.4
145.02888	0.5
147.04407	10.3
148.04648	0.1
149.02345	0.3
151.03909	3.0
151.05023	0.2
151.07501	0.2
153.01807	1.2
157.03960	0.8
161.05939	0.2
162.03154	0.3
163.03902	0.3
164.04649	0.8
165.01813	0.2
167.07080	0.2
171.02898	0.7
175.03903	19.0
176.04274	0.2
177.05415	0.9
179.03345	0.2
179.06989	0.8
181.04906	0.2
187.07515	0.4
189.05431	0.2
191.07010	0.2
192.04134	0.3
194.02023	0.2
199.03888	0.2
201.05400	0.3
207.06520	51.9
208.06859	0.7
217.05017	1.0
218.05702	0.3
219.06546	0.1
225.07573	0.4
227.03226	0.1
228.04140	0.7
229.05035	0.5
230.05693	0.2
231.02953	0.2
231.06401	0.2
239.03435	0.2
242.05809	0.2
243.06557	0.9
245.04459	2.8
247.05948	0.1
248.06943	0.2
256.03714	0.3
257.04312	0.6
258.05276	0.2
259.05927	0.2
269.04422	0.3
270.05066	0.3
271.05972	1.2
272.06833	0.3
273.03946	3.3
274.04327	0.2
285.04010	0.5
285.07169	0.1
286.04694	0.2
287.05496	1.7
288.06271	1.6
297.03894	0.2
299.05475	0.6
300.02673	0.3
301.03427	8.5
302.04041	0.4
303.23212	0.2
315.04971	10.8
316.05765	36.8
317.06113	0.9
321.23993	0.2
331.08102	100.0
332.08423	2.3
351.10736	3.8
361.09265	0.2
369.11813	3.0
391.47559	0.1
431.58572	0.1
579.49603	0.1
613.53973	0.1
650.42566	0.1
699.19098	0.3
699.38477	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	699.1923
Annotation	CHEBI:75353
Peak:m/z	Relative Intensity
53.03927	0.2
56.04456	0.1
63.02367	0.2
65.03931	0.2
67.01879	0.2
68.99795	0.2
69.03432	0.6
70.19028	0.2
70.19421	0.4
74.65273	0.1
78.04687	0.2
81.03426	2.0
81.07057	0.2
82.22337	0.1
85.02912	1.0
89.03399	0.2
89.03918	2.7
90.04697	0.1
91.05475	0.4
93.07031	0.2
97.02882	0.2
98.21507	0.1
99.04445	0.2
103.05510	0.1
106.04161	0.2
107.04962	0.2
109.02888	0.9
109.10162	0.2
111.04473	0.2
117.03384	8.0
118.04134	0.2
119.04945	0.2
121.02887	0.1
121.06510	0.2
127.03907	0.4
131.04932	0.3
133.02867	0.2
134.03632	0.8
135.04413	0.8
137.02347	0.4
137.05977	0.3
139.03915	0.4
145.02849	21.1
146.03572	0.3
147.04410	0.4
149.02344	0.2
149.05978	3.1
150.03160	0.2
151.03894	0.3
153.01831	4.7
154.06253	0.5
158.05974	0.2
163.03906	0.5
163.07635	0.1
164.04672	1.5
165.01842	0.2
165.05479	0.7
167.07094	0.2
171.02859	0.6
174.03029	0.2
177.05475	53.2
178.05795	0.4
179.03416	0.7
181.04970	2.7
181.06506	0.2
185.05960	0.1
186.05505	1.0
187.03940	0.2
191.07039	0.2
192.04167	1.0
193.04927	0.2
194.05743	0.8
195.06509	0.6
197.04416	0.1
201.05415	0.2
203.07146	0.1
207.06535	0.3
209.08327	0.1
212.04570	0.2
213.05411	0.3
215.03447	0.2
216.04219	0.2
217.04901	0.2
217.08530	0.2
219.06429	0.1
221.08116	0.2
223.11627	0.1
229.04959	0.9
230.05885	0.2
231.06677	0.1
232.03627	0.2
240.04094	0.1
241.04951	0.3
243.02896	0.3
244.03755	0.2
244.07259	0.2
245.04398	0.3
247.06023	0.2
253.04747	0.1
254.05791	0.3
257.04498	1.4
258.05173	0.5
259.05991	0.5
260.03119	0.6
269.04504	0.7
270.05109	0.2
271.02417	0.5
271.06012	1.2
272.06805	0.5
273.03995	0.2
273.07550	0.5
275.05533	2.1
279.08652	0.2
283.06058	0.3
285.03946	1.4
286.04761	1.1
286.35703	0.1
287.05511	1.3
288.02762	0.7
297.03864	0.2
299.01859	0.3
299.05569	0.7
300.02722	4.2
300.06256	0.8
301.03436	1.4
301.07120	1.3
302.04214	0.6
302.07654	0.2
303.04987	3.0
311.05203	0.1
313.03436	0.5
314.04044	0.3
315.04977	2.8
316.02304	0.3
316.05719	0.3
317.03195	0.2
317.06512	1.1
318.07324	1.1
321.05936	0.3
321.09708	4.1
321.13385	0.3
327.05136	0.8
328.05902	0.2
329.06473	0.8
330.03650	0.4
331.04501	4.6
331.08002	0.4
332.05170	0.3
339.10809	2.7
345.06061	5.9
346.06845	31.3
347.07205	0.6
361.09174	100.0
362.09503	1.2
391.10254	0.1
403.10510	0.1
699.19073	0.4
699.42993	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	698.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
53.91946	0.8
55.01862	1.4
55.05511	23.5
57.03434	6.7
57.07077	18.2
61.02926	27.4
65.82647	0.7
67.05505	39.0
69.03416	4.0
69.07068	48.0
69.84693	4.7
71.04977	2.9
71.08630	10.5
71.67079	0.8
73.02919	10.0
75.04461	2.3
79.05490	16.0
81.03412	2.1
81.07057	45.9
83.04990	1.3
83.08620	40.2
85.02905	34.7
85.06547	2.8
85.10185	5.8
91.03957	31.3
91.05476	2.4
93.07047	24.0
95.08607	45.6
96.04463	0.9
96.08924	1.0
97.02895	16.0
97.06536	8.8
97.10169	26.4
98.91012	0.7
99.04472	1.6
99.08064	1.6
100.90823	0.7
103.03915	0.9
105.06975	0.8
107.08596	19.9
109.02880	1.4
109.10157	24.8
111.08061	6.9
111.11719	10.4
113.09623	1.0
115.03940	1.2
119.08598	0.8
121.10145	43.9
122.10532	0.9
123.11701	9.3
123.78426	0.7
125.09603	2.4
125.13264	2.8
127.03909	11.0
135.11697	34.8
137.13303	3.6
139.11162	3.0
143.10652	0.8
143.14323	0.7
145.04961	17.4
149.13257	13.7
151.14815	6.0
153.12730	2.7
163.06017	29.1
163.14804	7.4
165.16396	5.6
167.14307	2.2
177.16319	4.1
179.17924	0.8
181.15894	1.4
185.15329	1.0
191.17941	2.5
195.17476	1.0
199.16910	0.9
204.08774	1.1
205.19662	1.0
213.18582	1.1
228.42838	0.8
247.24207	39.4
248.24467	1.2
265.25269	100.0
266.25534	4.2
283.26328	22.8
324.28644	1.0
339.28949	92.6
340.29327	4.1
357.29999	93.7
358.30429	4.2
501.33951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1919
Annotation	CHEBI:75353
Peak:m/z	Relative Intensity
53.03942	0.7
55.05497	0.9
57.03428	0.6
58.62569	0.5
64.78912	0.6
65.03931	1.8
67.05505	1.1
69.03412	2.0
69.07062	0.7
71.24065	1.4
79.05481	1.3
81.03427	5.1
81.07045	1.5
83.08598	0.6
85.02904	3.2
89.03912	1.3
89.53005	0.6
91.05482	21.4
93.07024	1.3
95.04972	1.1
95.08602	1.1
97.02856	0.7
99.04489	0.6
105.03407	0.8
105.07030	1.0
107.04942	1.0
107.08588	0.6
109.02888	2.6
109.10154	1.2
117.03410	1.0
119.04942	28.5
121.02853	0.7
121.06501	0.8
121.10212	0.8
127.03913	1.0
127.07396	0.5
129.03311	0.6
131.04961	0.6
132.02145	1.0
135.04410	2.0
137.02319	1.1
137.05969	1.6
145.02864	3.4
147.04413	28.5
149.02316	1.3
151.07542	0.8
157.03929	2.7
161.05975	1.0
162.05478	0.6
163.03912	8.8
163.11205	0.6
164.04681	1.0
175.03911	47.7
177.05487	3.9
179.07016	2.5
181.04967	0.7
192.04022	1.2
207.06534	100.0
208.06915	1.1
219.10120	0.8
221.08142	1.0
229.04817	0.6
243.06696	0.7
259.06046	0.9
271.05954	0.5
273.03961	2.3
286.05066	0.6
287.05417	2.3
288.06253	2.2
299.05533	0.8
315.05032	6.4
316.05783	24.6
317.06519	1.8
329.06387	0.7
331.08124	61.6
332.08389	1.1
345.05988	1.3
351.10706	6.2
360.08490	1.0
361.09088	3.1
369.11844	5.0
371.17325	1.8
375.10785	7.4
412.35452	0.6
493.13446	1.5
631.73285	0.6
655.87384	0.6
698.40845	0.8
699.19965	1.2
699.33441	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	698.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46907	0.5
53.03939	1.1
55.01854	1.0
55.05512	25.4
56.67174	0.6
57.03438	7.6
57.07077	15.7
61.02928	25.8
65.03912	0.7
67.05506	34.2
69.03440	3.0
69.07069	48.5
71.05000	3.4
71.08630	11.8
71.22759	1.0
71.58943	0.5
73.02557	0.9
73.02921	9.8
73.06568	0.7
74.09695	0.7
75.04446	2.0
79.05493	16.3
81.03390	1.5
81.07060	44.3
83.01294	0.8
83.04961	1.6
83.08621	38.6
85.02907	30.9
85.06514	2.4
85.09710	0.6
85.10180	6.7
87.04417	0.7
91.03957	24.5
91.05457	2.2
93.07049	23.4
95.04952	0.6
95.08610	45.8
95.56511	0.5
96.04507	0.6
97.02295	0.8
97.02893	14.6
97.06534	6.9
97.10171	28.1
99.04440	1.6
99.08063	2.4
101.06016	0.5
105.07015	0.7
105.70686	0.5
107.08595	19.2
109.02872	0.6
109.10159	23.2
111.08092	5.5
111.11011	0.8
111.11720	8.9
113.09644	0.8
114.38380	0.5
115.03917	1.1
121.10146	39.2
122.10431	0.9
123.11715	9.9
125.09635	2.6
125.13243	2.3
127.03916	9.5
129.09091	1.2
129.12830	0.6
135.11699	31.3
137.13274	4.9
137.38663	0.6
139.11186	3.5
141.12733	0.9
143.10655	0.9
143.14236	1.2
145.04944	11.6
149.13257	13.0
151.14799	5.0
153.12715	2.3
155.14307	0.6
157.15788	0.7
163.06029	21.9
163.14798	6.1
165.16422	3.8
167.14342	1.7
171.13776	0.6
171.95432	0.5
177.16383	3.2
191.17918	2.5
195.17477	1.1
199.16949	1.0
205.19609	1.5
209.19046	0.7
213.18599	1.4
247.24226	34.9
259.22607	0.8
264.14810	0.6
265.25269	93.7
266.25613	2.3
283.26324	19.2
324.29065	0.9
339.28955	100.0
340.29330	3.3
357.29999	73.4
358.30383	2.0
417.42972	0.6
494.33060	0.6
501.34189	6.0
556.66565	0.7
663.39093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01878	0.7
55.05258	0.7
55.05511	9.2
57.03436	3.4
57.07078	4.8
59.05016	0.5
61.02925	15.3
65.03943	0.7
67.05504	35.8
69.03421	2.1
69.07066	13.0
69.07448	0.6
69.34327	0.7
69.34659	3.5
71.04983	1.1
71.08630	3.8
73.02546	0.5
73.02915	5.4
75.04462	0.5
77.03918	0.4
77.20519	0.3
79.05489	9.0
81.03421	1.1
81.07056	45.7
82.07411	0.4
83.04973	0.9
83.08620	10.6
83.73609	0.3
85.02903	20.8
85.06550	1.7
85.10172	2.0
85.46782	0.4
91.03954	19.3
91.05472	8.3
91.06003	0.6
93.07041	11.2
95.04986	0.5
95.08605	42.7
96.08936	0.5
97.02894	10.2
97.03516	0.7
97.06531	3.2
97.10165	7.4
99.04479	1.6
99.08080	2.7
101.02393	0.6
105.07024	5.8
107.08591	10.0
107.09290	0.7
109.02887	0.7
109.06559	0.7
109.10155	22.7
111.08074	2.4
111.11717	2.2
113.09651	1.4
115.03943	1.0
115.07574	0.4
117.05502	0.4
119.08581	6.8
121.10141	14.3
123.08095	0.9
123.11698	12.5
125.09626	1.1
125.13266	1.3
127.03912	6.8
127.11195	0.9
131.08571	0.7
133.10129	10.0
135.11688	8.4
137.09589	1.5
137.13251	5.1
139.11171	0.7
141.12730	3.1
145.04961	11.3
147.11699	6.9
149.13254	7.8
151.11165	1.1
151.14813	4.6
153.12755	1.0
153.16522	0.4
155.14297	2.5
157.12206	0.3
159.11757	0.3
161.13255	9.4
163.06018	22.3
163.14812	8.0
165.12730	0.8
165.16377	7.5
167.14348	0.7
168.96843	0.3
169.15904	0.4
171.13788	0.5
171.66589	0.3
175.14822	7.8
177.16408	1.0
179.14330	1.5
179.17953	5.8
181.07063	0.3
181.15852	1.2
185.15392	0.4
189.16360	3.7
191.17839	0.5
193.15961	0.8
197.15298	0.3
199.17043	0.4
203.18004	0.9
204.08650	0.7
207.17499	0.9
209.13242	0.4
217.19501	0.9
221.18874	0.5
241.18115	0.4
245.22646	55.7
246.22981	0.8
247.24295	0.8
263.23697	100.0
264.24020	1.4
265.25296	2.3
281.24747	3.8
291.19711	0.4
312.64444	0.4
337.27368	41.9
338.27838	0.8
355.23972	0.7
355.28415	14.7
367.88266	0.4
463.30527	0.4
481.31943	0.4
499.32739	1.5
598.49390	0.3
618.95575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01871	1.3
55.05510	15.6
55.05782	0.8
57.03181	0.6
57.03440	6.3
57.07074	10.2
59.05002	0.4
61.02924	24.6
65.03938	1.4
67.05503	61.6
69.03430	2.7
69.07067	24.2
70.31759	1.3
70.51678	0.4
71.04999	2.2
71.08631	5.5
73.02919	8.0
73.34644	0.4
75.04472	1.2
79.05492	15.3
80.59849	0.4
81.03428	1.7
81.07053	78.6
82.07377	0.5
83.04984	1.4
83.08618	18.8
85.02904	28.2
85.06551	2.6
85.10180	2.6
91.03956	23.9
91.04876	0.7
91.05478	13.0
93.07044	22.1
93.67687	0.4
95.04966	1.1
95.08604	67.9
97.02888	13.0
97.06528	6.6
97.10164	11.5
98.20602	0.4
99.04458	1.6
99.08076	3.4
101.02367	0.6
103.03947	0.7
105.07030	10.7
107.07861	0.9
107.08591	15.9
107.18032	0.5
107.54736	0.4
109.02866	1.1
109.06534	0.7
109.10154	35.3
110.07185	0.5
110.10481	0.7
111.08086	3.6
111.11730	4.0
113.09651	2.0
115.03938	1.7
115.07578	0.7
117.07031	0.5
119.08578	12.6
121.10144	21.7
123.08049	1.1
123.11708	18.7
125.09657	1.8
125.13291	1.9
127.03917	7.7
127.11206	1.4
129.05524	0.6
131.08531	0.5
133.10130	14.1
135.11687	11.0
137.09639	1.4
137.13263	7.4
139.11197	1.3
141.12775	3.1
145.04956	10.7
147.11688	9.0
147.12798	0.8
149.13255	10.2
151.11157	1.5
151.14816	6.8
153.12743	1.4
155.14294	3.5
157.12286	0.5
161.13257	14.8
163.06013	21.0
163.14806	10.2
165.12756	1.6
165.16403	9.7
167.14291	1.0
167.17928	0.4
175.14832	9.7
175.16269	0.8
177.16393	1.5
179.14389	1.3
179.17934	6.3
181.15900	1.6
189.16388	4.6
191.18031	0.6
193.15874	1.7
203.17973	2.1
204.08797	0.5
207.17482	1.2
210.18462	0.4
217.14430	0.5
217.19496	1.4
219.21028	0.5
221.22363	0.4
245.22649	60.1
246.22923	0.7
247.24240	0.8
263.23697	100.0
264.24081	1.4
265.25244	1.7
277.46826	0.5
281.24762	3.0
317.24689	0.4
319.26407	0.6
337.27359	66.9
338.27658	1.3
355.28439	19.6
371.25668	0.6
407.27594	0.4
463.30649	0.9
499.32727	6.7
661.38184	0.7
696.46814	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10368	1.8
55.05509	9.3
56.96546	2.7
57.03428	4.7
57.07068	5.7
61.02927	21.0
65.03955	2.0
67.05508	57.3
69.03431	4.7
69.07068	8.9
69.69621	1.7
71.04965	2.2
71.60365	3.3
73.02921	8.1
79.05491	30.6
80.68496	1.7
81.03430	3.3
81.07055	63.3
83.08620	7.7
85.02407	3.5
85.02910	34.8
91.03943	25.0
91.05481	19.8
91.41816	2.0
93.07047	49.9
95.04951	2.7
95.08611	48.7
97.02881	11.4
97.06564	3.4
97.10157	2.5
105.07007	15.2
107.08597	30.4
109.06573	2.7
109.10162	28.8
117.07011	10.8
119.08584	17.5
121.10125	27.5
123.11686	16.4
123.39525	2.3
127.03954	13.7
131.08565	16.2
133.10126	12.1
135.11678	26.3
137.09518	2.4
137.13258	7.6
139.11186	2.2
145.04941	13.6
145.10103	14.9
147.11713	11.7
149.13266	19.4
151.11211	3.7
159.11752	11.2
161.13269	12.3
163.05994	27.7
163.07236	3.1
163.11206	2.5
163.14833	14.3
165.12708	2.5
173.13229	14.5
175.14839	4.3
177.12798	2.2
177.16377	10.0
179.14288	2.1
187.14839	10.6
201.16331	2.7
202.87637	2.0
205.59236	2.5
215.17912	2.8
232.51808	2.2
233.22676	2.7
243.21100	37.6
261.22134	100.0
262.22464	6.0
263.23645	2.6
335.25787	22.1
353.26901	66.0
354.26996	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	695.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
56.96570	21.1
60.41068	0.4
67.05456	1.3
69.80019	1.0
69.80441	1.9
71.04993	0.5
71.08599	1.8
71.95258	0.9
74.97585	1.4
79.05455	1.5
79.52307	0.4
81.03385	0.8
81.07022	1.9
85.02892	0.5
91.05453	0.8
93.07032	0.8
95.04932	0.7
95.08578	0.8
97.96815	0.6
98.20738	0.8
98.97565	0.4
100.19828	0.5
105.07003	0.6
107.08553	0.7
109.10114	0.9
115.00735	0.6
123.01235	0.5
125.61178	0.4
127.00629	0.4
128.98636	0.6
129.02190	1.6
133.01695	1.8
133.10092	0.9
137.05991	0.5
141.02158	0.8
145.01706	1.0
145.67517	0.4
146.99588	1.1
147.03290	4.1
155.03763	1.7
157.01741	0.9
159.03253	1.7
161.01274	0.7
161.04832	0.5
165.04327	1.4
167.03734	0.5
169.01738	1.2
171.03340	2.5
173.03804	0.4
173.04904	4.6
175.02704	0.5
175.06476	0.6
177.04330	1.1
181.05339	1.0
183.03334	0.7
183.06908	0.7
184.07407	0.6
185.04849	2.1
187.02855	1.1
189.04372	4.0
191.05952	3.1
195.06851	0.8
196.06442	0.8
197.04887	1.1
199.06412	5.0
201.04350	1.5
201.07967	3.5
203.05952	5.0
203.33467	0.5
207.05316	0.5
211.06371	1.2
211.09967	0.9
213.04460	0.5
213.07964	5.3
217.07498	7.3
219.05272	0.5
219.09096	3.0
222.08098	0.5
223.06430	0.9
225.07861	2.1
227.05907	1.2
227.09560	1.2
229.07477	5.4
229.11139	1.2
231.09047	9.6
235.08542	0.7
236.09627	0.9
237.07948	9.6
239.09561	2.9
241.07497	1.9
241.11189	0.9
243.09074	6.9
247.08528	4.6
248.09471	0.5
251.09555	1.6
252.09212	0.6
253.07742	0.5
253.11058	0.7
254.10704	1.5
255.09062	100.0
256.09494	2.3
257.10660	4.0
259.08600	0.9
261.10071	5.0
262.11060	0.6
265.07553	0.9
266.10605	1.0
267.09067	2.7
269.10629	7.3
269.13690	0.7
269.14694	0.7
271.12540	0.6
273.10110	81.1
274.10437	2.2
278.10657	16.3
279.11020	0.8
283.08600	3.2
284.11682	0.8
285.10071	4.3
285.14703	0.6
287.11636	2.5
292.12341	1.0
293.14236	0.7
296.11734	6.5
301.09531	1.7
303.16364	0.7
305.17862	0.6
306.10260	0.9
313.14679	0.7
319.12976	0.6
321.17392	1.4
323.19058	1.3
331.15842	8.0
339.18478	2.4
346.20059	0.5
349.16888	39.0
350.17200	1.2
355.18082	0.8
357.19519	1.0
362.20078	0.6
367.17935	86.4
368.18396	3.3
372.18533	5.2
385.18991	68.0
386.19556	2.8
390.19540	9.3
391.19971	0.9
403.20157	2.8
408.20602	24.2
409.20581	1.3
482.30115	0.5
659.38757	0.7
677.39313	8.0
695.40460	86.4
696.40906	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.01876	7.8
55.05508	35.1
57.03426	20.1
57.07066	2.4
59.04993	4.1
61.02922	9.6
63.00773	0.8
65.03925	3.5
67.05502	100.0
68.05835	1.1
69.03430	4.7
69.07066	19.8
70.79462	1.6
70.79820	2.3
71.01352	2.3
71.05002	8.2
73.02924	5.8
79.05489	41.4
81.03416	15.9
81.07054	80.5
83.04984	10.5
83.08619	22.1
83.63490	0.9
85.02424	1.4
85.02904	22.1
85.06541	5.5
87.04466	5.8
91.03970	2.9
91.05479	27.3
93.07043	44.4
95.04971	10.1
95.08606	23.5
97.02882	8.6
97.06528	12.7
97.10171	16.9
99.04418	1.2
99.08094	2.1
101.76552	0.9
103.03967	1.7
105.04548	1.0
105.07032	11.4
107.04945	3.8
107.08590	29.8
109.02892	1.0
109.06540	4.4
109.10152	59.3
111.04443	2.8
111.08061	7.5
115.05441	1.0
117.07018	9.1
119.06142	0.9
119.08580	10.1
121.06509	3.0
121.10131	12.6
123.08076	3.1
123.11708	3.8
125.09637	14.7
127.03941	1.2
129.05492	6.0
129.07001	1.7
131.08580	9.8
133.06427	1.0
133.10127	14.3
135.08104	2.1
135.11693	11.8
137.09631	3.1
143.07071	1.8
143.10649	2.5
145.04942	1.4
145.06462	1.0
145.10141	5.6
147.08025	1.1
147.11676	4.0
149.09660	2.6
149.13261	14.0
151.07581	1.0
151.11153	3.1
153.12758	3.7
155.08632	0.9
155.10669	3.1
157.08655	1.2
157.10107	2.4
159.11655	9.0
161.09648	0.9
163.11201	9.4
165.12726	2.8
173.09593	1.6
173.11739	16.3
175.11121	2.0
177.12682	4.7
181.12286	2.5
185.11690	2.2
185.37105	0.9
189.11237	1.0
191.10675	3.0
193.12183	5.5
195.13792	16.4
199.13277	8.4
209.11754	7.3
211.13275	3.1
213.14835	1.7
227.12772	10.7
229.14345	57.6
239.16475	4.1
265.14410	1.2
267.15887	12.4
269.17477	64.3
270.17807	1.5
273.18848	1.0
283.15314	7.2
297.16977	1.7
301.16406	19.8
313.16272	1.1
323.18408	2.4
331.69861	1.0
353.19608	1.1
357.24313	1.7
393.26361	3.6
402.42615	1.0
411.22562	1.2
411.27325	6.5
423.21710	2.1
423.27414	37.1
431.28058	2.1
449.29086	1.9
459.26974	1.4
477.28168	3.5
495.29520	72.6
496.29401	1.6
513.30585	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01879	7.5
55.05263	2.1
55.05514	34.3
57.03153	1.4
57.03434	21.2
57.07065	2.1
59.05004	2.6
61.02927	10.5
65.03902	1.2
65.88924	1.1
67.05506	100.0
69.03418	4.9
69.07065	19.1
69.24475	7.0
69.24899	6.7
71.01372	1.5
71.04984	8.4
73.02924	5.9
79.05492	37.8
81.02966	2.1
81.03410	17.0
81.07059	80.3
82.07388	1.3
83.01330	1.3
83.04980	11.9
83.08618	23.3
85.02905	19.1
85.06535	5.6
87.04472	5.4
90.23507	1.2
91.03946	3.4
91.05481	29.3
93.07044	40.7
95.04993	7.9
95.08611	25.1
97.02885	9.3
97.06519	14.1
97.10167	16.5
98.21574	2.5
99.08081	2.0
105.07026	13.7
107.04936	4.5
107.07877	1.8
107.08593	34.8
109.02843	1.3
109.06514	4.0
109.10159	55.7
111.04445	2.5
111.08060	8.7
117.06986	9.5
118.07417	1.4
119.08572	9.9
121.06484	4.4
121.10152	11.3
123.08040	3.5
123.11729	4.9
125.09628	14.7
127.03902	1.4
129.05484	4.7
129.07031	2.2
131.08586	10.2
133.10156	13.6
135.08073	2.7
135.11703	13.6
137.09644	3.4
143.10651	3.1
145.10115	4.6
147.08060	2.6
147.11676	6.8
149.09604	1.8
149.13286	12.0
153.12729	3.0
155.08501	1.5
155.10641	3.0
157.10107	1.9
159.11633	6.4
163.11169	11.5
165.12770	3.0
167.14415	1.3
173.09589	2.6
173.10318	1.6
173.11763	19.1
175.11191	1.6
177.12770	3.5
181.12184	3.5
189.11166	1.9
191.10699	3.7
193.12267	4.3
195.13791	14.9
199.13286	10.9
209.11697	8.7
211.13271	3.6
213.14958	2.5
227.12720	12.3
229.14351	54.8
239.16435	4.1
265.14288	1.8
267.16003	11.3
268.34549	1.3
269.17480	68.9
283.15436	5.9
285.16675	1.4
301.16467	19.1
304.72638	1.5
313.16269	2.1
323.18594	1.4
393.26321	2.9
402.00522	1.3
411.27435	6.9
422.26999	1.8
423.27451	36.4
423.32593	1.2
431.28177	3.3
449.28568	2.4
477.28259	3.5
495.29523	70.8
496.29697	3.0
513.30591	30.8
665.40131	1.6
692.40771	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	691.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	18.0
67.05485	0.4
69.07030	1.0
70.24160	1.2
71.95257	1.5
72.96008	0.6
74.97572	0.7
79.05479	0.4
81.07047	0.3
84.96016	0.6
91.05426	0.4
93.07025	0.4
95.04943	0.3
95.08556	0.4
97.96810	0.5
97.99197	0.3
98.97564	0.5
107.15230	0.3
110.97551	0.7
115.00665	0.8
116.98620	0.4
119.01723	0.3
119.68578	0.3
123.01201	0.5
127.00642	0.5
128.98621	2.1
129.02237	1.8
129.03046	0.3
131.08539	0.3
133.01706	1.1
133.10121	0.3
134.99602	0.3
137.02754	0.6
139.00764	0.4
141.02179	0.8
143.00050	0.5
145.01678	0.4
146.99677	1.7
147.03293	3.8
151.02792	0.4
152.14491	0.3
153.02188	0.5
155.03795	1.6
157.01762	0.8
159.03273	1.7
161.01251	0.5
161.04842	0.9
165.00746	0.5
165.02170	0.3
165.04332	0.9
167.03751	0.5
169.01788	0.7
169.05304	0.5
170.04895	0.4
171.03313	2.8
171.43639	0.3
173.04868	4.4
175.02728	0.8
175.06400	0.4
177.04259	0.4
181.05270	0.8
183.03299	1.0
183.06923	0.8
184.00418	0.5
184.03975	0.5
185.01086	0.4
185.04916	1.7
186.02011	1.0
187.02742	1.3
187.06415	0.6
189.04378	4.0
191.05870	2.1
195.03276	0.4
195.07013	0.4
197.04868	0.9
199.02783	1.2
199.06424	3.4
201.04314	1.3
201.07962	3.6
203.05916	3.6
204.03041	1.0
205.05302	0.3
207.05220	0.4
207.06972	0.4
209.04843	0.5
209.08522	0.4
211.06407	1.4
211.09985	0.7
213.04395	0.5
213.07948	1.9
215.05969	0.8
217.05383	0.6
217.07413	4.4
219.07013	0.6
219.08899	1.8
221.08595	0.6
222.07965	0.4
223.06367	1.2
225.04469	0.3
225.07941	1.5
227.05930	2.1
227.09512	0.5
229.07466	3.5
229.11008	1.7
231.08971	2.4
234.07901	0.3
235.02858	0.5
235.06425	0.6
237.07912	9.3
239.09546	3.1
241.07501	0.9
241.11130	0.3
242.08237	0.6
243.09052	7.7
244.65057	0.3
245.06966	1.4
247.06396	0.5
247.08548	2.1
247.12129	0.3
249.04221	0.4
249.07947	0.5
251.09630	0.6
253.07570	0.4
254.10570	0.4
255.09048	100.0
256.09354	1.6
257.07013	0.3
257.07742	0.4
257.10626	4.5
260.09317	0.7
261.10083	4.7
265.07535	1.5
266.10565	1.2
267.09070	3.9
269.10605	2.2
273.10092	65.1
274.10449	1.1
277.07452	0.8
278.08334	0.7
278.10678	11.7
279.08908	0.6
283.08560	5.5
285.10117	3.7
287.11566	0.9
295.08621	3.0
295.11844	0.6
296.09439	0.4
296.11826	3.7
301.09564	3.1
303.16324	0.4
305.14221	0.5
306.10193	0.7
308.11823	0.7
313.09555	2.1
313.12784	0.4
314.10352	0.6
315.08694	0.3
318.09903	0.4
319.16049	0.5
321.17432	0.7
323.15234	1.6
329.14261	9.0
337.16843	0.8
347.15302	24.4
348.15710	0.8
365.16373	63.4
366.16718	2.0
370.16870	2.3
383.17426	52.8
384.17883	1.5
388.17923	3.5
401.18658	1.6
406.19012	11.1
407.19550	0.5
655.35345	0.7
673.36279	5.8
674.36707	0.5
691.37286	62.9
692.37982	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	690.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01870	9.0
55.03284	0.8
56.05019	2.7
57.03420	3.5
58.99587	4.0
60.04516	1.6
61.02915	3.9
61.48235	0.8
66.61839	0.7
67.05511	1.2
68.99784	2.5
69.03072	1.0
69.03429	12.0
69.07050	2.5
69.55185	6.3
70.02951	16.3
70.06575	1.0
71.04991	2.0
73.02912	1.6
74.00654	1.6
74.02444	2.3
76.02227	25.0
76.03998	8.6
79.05495	2.3
80.05010	2.0
81.03411	6.7
82.06603	1.1
83.06102	7.6
84.04507	19.0
85.02426	1.4
85.02909	22.6
85.04015	2.6
86.99066	1.1
87.04465	1.4
88.02188	1.0
88.03992	1.7
92.01717	0.9
95.04946	0.8
96.04519	1.2
96.08129	1.4
97.02902	7.5
97.06532	27.7
98.20830	1.8
99.04470	1.2
99.05579	8.5
105.06995	1.2
107.06059	1.9
108.04478	1.1
108.08151	0.9
109.02862	2.2
109.07639	10.9
110.06045	1.3
111.99797	1.2
112.03988	5.8
112.96774	0.7
113.03516	1.2
114.05530	1.0
116.01676	8.0
116.03429	2.0
119.04975	1.3
125.07084	1.8
127.03927	4.4
127.05024	2.4
129.06587	13.3
130.04042	1.5
130.05005	23.7
131.04556	2.8
133.06511	4.6
133.07333	0.8
133.87721	0.8
135.02597	1.2
135.05479	1.3
136.03973	1.5
137.00563	1.9
137.06001	1.0
139.02126	3.6
139.03894	1.2
142.03262	1.3
144.01172	4.6
145.05052	2.2
145.06076	63.3
147.04347	2.2
151.02130	1.3
151.05821	0.9
153.06578	9.4
155.01620	2.0
155.08141	14.7
156.99562	7.5
157.06451	1.2
159.04416	1.1
159.08055	2.0
161.05989	1.5
162.02196	20.5
163.02156	3.5
163.03816	4.5
165.00037	8.7
165.03702	3.2
166.04958	1.0
167.07034	1.7
169.06125	2.1
171.01035	0.9
173.05984	2.6
174.06725	0.9
175.03853	1.8
175.07526	11.5
176.04723	1.4
177.03325	6.7
177.05501	4.4
179.01624	10.4
179.04863	38.5
180.99513	3.2
181.03316	0.9
181.06123	3.7
182.00311	3.0
183.01115	4.6
186.74030	0.9
187.05620	1.5
187.07541	4.7
189.03761	5.8
189.05261	1.3
191.01614	6.1
191.03232	1.4
191.05209	1.0
191.07039	3.3
192.07872	5.5
192.99629	1.2
193.03218	12.1
195.01115	12.5
199.02992	0.9
199.07172	13.5
200.03828	0.8
201.05424	1.7
203.07034	34.3
204.07779	2.4
205.08585	3.7
206.00421	5.2
207.01073	2.4
207.04747	11.6
209.02681	43.7
209.99803	1.6
210.03342	1.3
211.00618	2.0
211.04318	4.0
211.07175	1.8
215.05199	1.9
217.03183	11.3
218.02632	1.1
219.01259	1.2
219.04710	2.0
220.01935	2.5
221.08040	1.0
223.04198	3.8
224.01381	2.7
225.05872	4.5
225.67633	0.9
228.07826	1.4
231.04631	1.0
232.01897	1.8
232.09688	1.3
233.06018	3.8
235.04251	44.1
236.04578	1.3
237.05821	5.4
243.04668	4.4
244.07916	1.8
247.04362	1.1
249.05748	2.8
250.09059	2.9
251.07355	3.0
252.06946	1.5
253.05264	12.5
256.09241	1.8
259.04074	0.9
260.07452	2.6
261.05838	9.6
274.10382	9.0
278.08453	16.0
278.11206	1.4
279.06778	11.2
279.09415	1.0
289.05411	1.0
296.09479	8.4
302.05630	3.0
307.06332	2.3
307.63055	0.9
335.10596	1.0
343.40176	0.9
345.09091	3.2
356.06644	1.7
363.10086	2.1
364.08481	4.3
381.11154	100.0
382.09366	6.6
399.07089	1.7
399.12189	26.3
407.12659	1.7
431.09882	1.5
435.12384	6.9
440.12857	0.9
453.13321	21.6
454.13571	1.2
458.14938	2.3
465.13144	1.6
468.12781	0.9
507.14563	1.0
510.15405	10.5
511.14261	1.4
518.11786	1.0
528.16479	24.2
543.16437	28.7
561.17810	1.8
615.18500	13.3
672.20618	5.6
690.21863	15.1
691.20959	1.1
716.61188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
53.26360	0.6
54.76342	0.7
55.01867	5.7
56.05008	2.1
57.03411	3.0
58.99584	4.1
59.09285	0.7
60.30758	0.6
61.02902	3.3
65.03880	0.7
68.05020	0.7
68.99776	3.3
69.03430	9.5
69.07031	1.2
69.95543	3.3
69.95956	1.7
69.98460	0.7
70.02956	14.0
70.06561	2.5
71.04996	0.9
73.02905	1.6
74.00647	1.8
74.02429	2.1
76.02229	22.5
76.04002	7.3
79.05481	1.5
80.05003	1.3
81.03395	3.4
82.06581	1.4
83.04972	1.5
83.06111	7.6
84.04501	15.4
85.00001	0.7
85.02439	1.0
85.02907	16.3
85.04004	2.1
86.99062	1.3
87.04456	2.1
88.02229	1.1
88.04012	0.8
91.03945	0.7
91.05458	1.9
95.04946	1.1
96.08117	0.9
97.02882	5.9
97.06547	4.6
97.07042	0.8
98.21404	1.1
99.04427	1.0
99.05565	6.9
105.07019	1.4
107.04925	1.0
107.06051	1.2
108.04491	0.9
109.02860	2.1
109.07647	10.2
110.06049	1.1
112.03957	6.1
115.05453	0.9
116.01659	7.7
116.03427	2.4
117.06519	0.9
117.68996	0.8
121.06471	0.9
123.08013	0.8
125.00565	0.9
125.07054	0.9
127.03912	3.0
127.04948	1.6
129.06566	13.2
129.07979	0.9
130.05005	16.9
131.04492	1.5
133.06490	6.5
135.02640	0.7
135.05492	1.0
137.00533	1.5
137.05946	1.0
139.02106	3.2
139.03864	1.3
142.03052	0.7
144.01169	4.4
145.05101	2.1
145.06078	48.2
147.04422	1.8
147.07973	1.2
148.05141	0.9
149.05978	1.1
151.02129	1.2
151.03905	0.8
153.06592	8.3
155.01624	1.1
155.08168	13.2
156.99512	2.0
159.04453	1.1
159.08038	1.2
160.00676	0.9
161.06003	1.3
162.02202	17.8
163.02129	3.2
163.03870	3.7
163.07542	1.6
165.00044	6.8
165.03712	2.3
167.07065	1.4
169.06097	1.5
171.01160	1.0
173.05988	3.0
174.06715	1.6
175.03915	1.0
175.07574	13.0
177.03300	5.8
177.05470	3.4
179.01598	6.5
179.04858	30.2
180.99506	1.7
181.03195	1.1
181.06071	3.2
181.08527	0.9
182.00310	3.2
183.01096	3.6
185.06032	1.5
187.05627	1.6
187.07529	3.6
189.03665	5.2
189.05380	1.6
191.01622	6.5
191.07047	3.2
192.07768	5.8
192.99466	1.0
193.03212	12.4
193.08609	2.1
195.01123	11.0
195.10130	1.4
197.02605	1.1
199.03085	0.8
199.07147	13.4
201.05420	1.8
203.07037	29.0
204.07733	2.7
205.03221	1.3
205.06775	0.8
205.08617	3.1
206.00299	4.4
207.01115	2.7
207.04755	11.8
209.02670	41.7
209.08008	1.5
210.03110	1.6
211.00558	1.2
211.04225	3.2
211.07242	1.4
215.05176	1.9
215.07053	1.0
217.03212	10.4
218.02646	0.9
219.01132	1.3
219.04683	1.9
220.01877	2.4
220.07384	1.0
221.02603	1.0
221.08142	2.2
223.04269	2.9
224.01471	2.0
225.05807	6.4
225.31110	0.9
228.07721	0.8
231.04309	1.4
232.01913	0.9
232.07852	1.5
233.02779	1.0
233.06091	2.6
235.04247	40.1
236.04633	1.3
237.05853	4.9
243.04643	3.8
244.07973	1.6
245.06128	1.1
245.10564	1.1
247.04370	0.8
249.05782	2.7
250.09039	3.0
251.07434	2.6
253.05305	9.7
256.09192	0.9
260.07425	1.8
261.05835	9.1
274.10324	6.5
278.08459	14.3
279.06836	7.0
296.09424	7.9
302.05774	1.3
308.09091	1.2
312.08942	1.6
330.10153	1.2
338.06885	1.5
345.09244	1.0
363.10196	1.7
364.08490	2.5
381.11160	100.0
382.10205	4.1
399.12219	21.6
407.12781	1.1
425.13721	1.4
435.12112	6.5
440.13788	1.3
446.76016	0.9
447.11514	1.8
453.13284	18.2
458.14810	3.8
465.13284	2.2
492.15311	0.7
510.15451	12.3
511.13763	1.3
528.16516	28.9
529.17139	1.2
543.16461	27.0
544.16339	1.0
561.17462	2.2
564.93323	0.9
597.17371	2.7
615.18616	14.7
672.20819	5.1
690.21661	26.4
691.21930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01867	1.0
55.05512	11.6
57.03429	0.9
57.07084	4.8
59.45398	0.7
61.02941	1.1
65.03950	1.2
67.05167	1.4
67.05509	23.4
68.05789	0.9
69.03446	4.4
69.07069	32.2
70.06590	2.7
71.05004	3.9
71.08632	1.9
71.59701	0.8
71.60110	1.3
73.02895	1.0
73.06561	0.8
79.05494	9.5
79.83086	0.9
81.03409	2.9
81.07059	100.0
83.04967	1.0
83.08615	12.2
85.02906	15.6
85.06549	7.0
91.05480	4.9
93.07046	21.8
95.04988	1.4
95.08609	90.0
96.08932	0.9
97.02910	4.4
97.06528	3.2
97.10167	11.6
99.04444	1.0
99.08102	8.8
105.07024	6.4
107.04955	1.9
107.08595	29.7
109.02876	2.7
109.06550	1.1
109.10156	62.8
111.04475	0.9
111.08102	3.9
111.11723	7.6
113.09646	2.1
114.10291	1.0
117.07001	1.1
119.04957	2.0
119.08578	3.6
121.06488	1.2
121.10144	18.8
123.11710	41.8
124.12004	0.9
125.09653	2.4
125.13281	1.9
127.03926	3.4
127.11172	3.2
133.10143	3.6
135.11688	19.8
137.06009	4.2
137.13255	15.4
139.11192	1.9
141.12747	2.0
145.04964	3.3
147.04416	8.3
147.11693	4.0
148.04794	1.2
149.13263	28.3
151.03897	2.0
151.14824	17.3
152.04286	0.9
152.69707	0.9
153.12729	6.0
155.14360	1.7
161.05925	0.7
161.09642	0.9
161.13243	4.2
163.06113	1.4
163.14828	27.5
165.16411	3.3
167.07112	2.3
167.14346	3.9
169.12253	0.9
169.15900	1.1
171.13864	4.0
173.13249	1.2
175.03923	1.9
175.14893	1.7
177.05495	2.6
177.09143	0.8
177.16411	10.8
179.17964	2.6
181.04904	1.8
181.15886	3.5
187.13275	4.4
189.16377	2.4
191.17950	6.2
193.19565	1.4
195.17612	1.1
203.17986	4.3
205.19452	1.8
207.06531	3.6
217.19531	7.6
219.21164	2.4
220.10501	0.8
221.19057	1.0
235.20532	3.0
247.24225	0.9
261.25797	2.9
273.25748	17.3
279.26837	3.6
291.26840	51.2
303.04364	0.8
309.27881	43.5
319.04489	1.1
327.28937	4.0
345.29977	7.3
417.29871	2.1
435.31122	2.0
453.31982	1.5
579.90192	0.9
589.48212	1.4
687.47675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01866	1.0
55.05510	12.4
57.03437	1.1
57.07073	5.5
61.02924	0.9
65.03931	1.7
67.05505	25.9
69.03435	3.4
69.07071	24.5
69.07460	1.2
70.06593	1.6
70.14902	2.9
71.04996	4.5
71.08633	1.6
73.02904	0.7
73.06573	0.6
79.05489	16.8
81.03423	2.0
81.07059	100.0
82.07387	0.9
83.04993	1.5
83.08621	11.9
85.02905	11.3
85.06551	3.7
91.05467	8.8
91.05914	0.7
93.07048	42.3
94.07344	0.9
95.04986	2.8
95.08609	76.5
96.08924	1.4
97.02892	3.4
97.06532	5.7
97.10173	8.1
98.09707	2.0
99.04481	0.8
99.08092	3.1
105.07034	17.2
107.08600	36.5
109.02878	0.8
109.06553	1.4
109.10159	51.4
111.08095	4.0
111.11732	6.6
113.09629	0.7
117.07011	0.7
119.04981	1.2
119.08591	14.3
121.10151	31.6
123.04456	0.6
123.08107	1.0
123.11713	34.8
125.09630	4.6
125.13309	1.8
127.03911	2.2
127.11195	2.4
131.08594	3.0
133.10127	9.9
135.11697	26.3
137.06012	0.6
137.09645	1.1
137.13266	12.6
139.11220	2.4
141.12717	0.7
145.02910	1.4
145.04980	2.2
145.10103	5.7
147.04417	1.2
147.11703	9.7
149.13261	40.1
151.11209	1.1
151.14804	4.5
153.12723	3.2
155.10706	1.4
159.11717	5.1
161.13272	11.1
163.03906	4.2
163.06068	1.4
163.11166	1.2
163.14839	12.3
165.12785	3.3
165.16470	2.1
167.14330	0.8
169.12328	1.0
173.13260	4.7
175.14821	6.4
177.05530	0.9
177.16405	7.8
179.14366	1.8
179.18002	2.6
181.12288	2.7
187.13382	0.8
187.14877	2.8
189.16380	3.8
191.18011	3.4
193.15938	0.8
195.17381	1.0
197.15524	0.7
201.16452	2.6
203.18069	2.2
205.19595	1.2
207.06544	1.0
207.17468	1.0
215.17972	4.1
217.19627	0.9
219.10246	0.8
229.19609	1.5
231.21164	1.0
233.19029	2.0
245.22768	2.2
251.20116	1.4
259.24271	1.7
261.25830	2.3
263.23685	3.6
271.24200	14.9
271.26953	1.0
277.25266	8.5
279.26819	0.9
289.25269	47.0
290.25665	0.8
295.26401	5.8
307.26324	69.8
308.26782	1.1
317.06744	1.1
325.27429	7.1
343.28662	1.1
361.29691	1.3
396.04672	0.6
397.28455	0.5
451.30505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
53.79908	1.1
55.01867	1.3
55.05514	10.9
56.59241	0.8
57.03432	1.7
57.07067	4.1
57.66264	0.9
61.02932	2.1
61.41906	1.0
65.03929	1.6
67.05176	1.9
67.05509	26.9
69.03423	4.2
69.06724	1.6
69.07072	24.3
69.45774	8.8
69.46117	1.3
70.06586	2.7
71.04996	4.5
71.08617	1.7
73.01045	1.0
74.09682	0.9
79.05502	17.9
81.03431	2.1
81.07063	100.0
82.07387	1.8
83.04987	1.8
83.08626	12.3
85.02908	15.6
85.06545	3.6
86.09686	1.6
91.05472	10.7
93.07053	41.8
94.07384	1.0
95.04991	6.2
95.08612	84.0
96.08919	1.6
97.02892	3.8
97.06532	4.5
97.10165	9.8
98.09714	7.6
99.04482	1.5
99.08089	1.4
105.07049	15.6
107.08603	44.7
109.02885	1.7
109.06519	2.9
109.10163	54.1
110.10509	1.3
111.08086	3.4
111.11729	6.1
119.08587	15.0
121.10152	47.7
123.04421	7.7
123.11719	28.6
125.09642	4.5
127.03922	3.1
127.11154	2.4
131.08556	3.1
132.04503	1.3
133.06421	1.1
133.10149	10.6
135.11700	28.4
137.06007	3.1
137.09636	1.8
137.13263	13.8
139.11176	4.2
145.02855	1.6
145.04956	3.9
145.10135	3.8
147.04343	1.3
147.11678	11.8
149.13269	30.3
151.14825	3.2
153.12756	1.8
159.11676	3.9
160.12498	0.9
161.05942	1.2
161.13266	10.2
163.03941	2.0
163.06046	2.3
163.14813	10.1
165.12775	3.2
165.16461	1.6
173.13278	3.0
175.14786	5.9
177.05554	1.2
177.16408	33.0
177.17987	1.7
179.14326	2.5
179.18019	1.9
183.13747	1.3
187.14729	1.7
189.14804	1.4
189.16328	5.3
191.18034	5.0
194.53674	1.0
195.17451	6.2
201.16396	2.2
203.18033	1.6
207.06551	1.7
207.17375	1.5
215.17946	2.4
217.19467	1.0
219.62372	1.4
227.76163	1.0
245.22688	1.5
261.25839	2.2
263.23669	2.7
271.24274	10.8
277.25357	6.9
287.27875	1.1
289.25275	38.1
290.25662	1.1
295.26376	5.9
307.26331	69.2
309.29721	1.0
325.27408	11.7
346.06821	2.8
347.07422	1.3
361.09207	14.9
361.29700	1.9
362.09555	1.4
419.26447	1.1
469.31406	1.3
523.14337	2.6
685.38318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.05516	9.9
57.03181	1.0
57.03440	12.1
57.07073	2.9
57.35510	0.5
59.05003	3.1
61.02927	4.3
65.03952	1.7
67.05508	86.5
68.05840	0.9
69.03451	1.3
69.07072	7.4
70.55070	2.1
71.04996	2.9
71.08617	0.9
73.02929	1.3
79.05495	14.3
81.03419	1.2
81.07062	34.3
83.04994	0.6
83.08623	8.3
85.02907	4.5
85.06543	2.6
85.62640	0.5
87.04459	0.7
91.03970	1.9
91.05483	11.0
93.06462	1.2
93.07047	19.5
95.04976	2.0
95.08611	24.0
97.02892	2.0
97.06541	1.8
97.10164	2.7
99.08138	1.2
105.07041	5.5
107.08600	12.4
109.06548	1.2
109.10159	75.0
110.10490	1.6
111.08079	3.4
117.07017	2.7
119.08582	10.2
121.10149	10.5
123.08086	0.6
123.11673	3.8
125.09655	1.3
131.08565	5.0
133.10118	4.3
135.11681	6.4
137.09615	4.0
137.13239	0.9
145.10141	3.7
147.11705	3.6
149.13237	4.5
151.14848	0.8
155.08606	0.6
155.10681	3.3
159.11707	2.2
161.13304	1.8
163.14807	2.6
169.09911	0.6
170.11467	0.5
173.11766	21.3
173.13264	2.9
175.14801	1.6
177.16443	0.7
187.14827	2.0
189.11151	0.8
227.12729	5.6
229.14363	100.0
230.14749	1.5
243.21126	5.4
261.22156	16.6
278.36154	0.6
283.72055	0.6
317.24844	2.3
335.25815	67.3
336.25977	2.7
379.29993	1.1
397.31342	1.2
415.31833	1.3
471.34445	1.7
489.35803	41.0
490.35800	2.0
507.36789	4.2
677.79218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.0
55.05513	9.6
57.03154	0.9
57.03437	13.7
57.07076	2.3
59.05000	4.4
61.02937	4.6
61.72939	0.8
65.03935	2.4
65.49446	0.8
67.05508	94.6
68.47726	0.8
69.03425	2.3
69.07070	7.2
69.29689	9.3
71.04987	3.4
73.02929	1.8
79.05496	17.4
81.03437	0.8
81.07061	37.3
82.07415	0.9
83.04990	1.5
83.08632	9.1
85.02910	4.2
85.06549	3.0
86.27480	0.8
91.03950	1.0
91.05478	12.3
93.07047	24.1
95.04979	2.1
95.08608	27.8
97.02876	1.5
97.06534	2.2
97.10170	1.9
105.04574	0.9
105.07043	6.7
107.08595	14.4
109.06518	0.9
109.10159	83.9
110.10509	1.6
111.08072	4.5
117.07033	2.3
119.08581	11.9
121.10140	12.7
123.11716	5.3
125.09624	1.1
127.11240	0.9
131.08554	5.3
133.10153	4.5
135.11705	7.5
137.09599	4.1
137.13234	0.9
145.09135	0.7
145.10110	4.4
147.11703	3.9
149.09566	0.7
149.13284	5.1
152.47862	0.7
155.10686	3.6
159.11728	3.0
161.13286	2.9
163.14848	3.1
173.11761	24.7
173.13274	3.3
177.16451	1.1
187.14760	1.2
189.11194	1.1
191.39111	0.9
201.16508	0.9
227.12819	5.4
229.14351	100.0
230.14709	1.6
233.22624	1.0
242.95030	0.8
243.21092	4.9
261.22156	16.0
317.24799	2.1
331.61063	0.8
335.25815	68.2
336.26151	3.2
398.27756	0.8
415.32169	1.6
471.34906	1.0
489.35803	42.9
490.36142	2.5
507.36591	3.7
682.48492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46675	0.1
53.03945	0.3
55.05497	0.5
63.02394	0.3
64.38302	0.2
65.03928	0.2
65.48328	0.1
67.01897	0.2
67.05518	0.8
68.48738	0.2
68.99789	0.2
69.03436	0.9
69.07077	0.9
69.95750	0.4
69.96159	0.7
70.06583	0.5
71.04994	0.2
73.02926	0.2
79.05479	0.4
81.03419	2.8
81.07058	1.8
83.04992	0.2
85.02903	1.3
85.06538	0.2
89.03917	2.9
91.05482	0.7
93.07040	0.8
95.04979	0.3
95.08602	1.8
97.02882	0.4
97.06530	0.2
99.04434	0.3
103.05447	0.3
105.07026	0.5
106.04184	0.3
107.04935	0.2
107.08573	0.7
109.02871	0.9
109.06512	0.2
109.10151	1.3
110.10475	0.2
111.11694	0.2
117.03384	9.5
117.07037	0.2
119.04914	0.3
119.08549	0.3
121.06572	0.3
121.10145	0.8
122.10517	0.2
123.04416	0.4
123.11691	0.7
127.03903	0.5
131.08510	0.2
133.02849	0.2
133.10117	0.3
134.03635	0.6
135.04401	0.9
135.11694	0.5
137.02364	0.5
137.05980	0.8
137.13246	0.3
139.03885	0.2
145.02849	25.0
145.10129	0.2
146.03262	0.3
147.04399	0.9
147.11729	0.2
149.05991	3.8
149.13287	0.5
150.03114	1.1
151.03893	0.6
151.07529	0.2
151.14806	0.2
153.01846	2.9
153.03032	0.1
157.04979	0.4
158.06010	0.3
161.06017	0.2
161.13278	0.2
163.03909	1.0
167.03407	1.9
167.05630	0.2
167.07056	0.5
171.02882	0.6
175.03914	0.4
177.05472	67.3
178.02620	0.6
178.05800	0.5
179.03404	0.3
180.04147	0.3
181.04906	0.2
186.05531	1.7
189.09065	0.2
191.03418	0.3
195.06560	0.5
203.07054	0.2
205.05046	0.4
207.06531	0.9
215.03413	0.3
216.04163	0.2
217.05006	0.2
219.03111	0.2
219.28928	0.2
227.03276	0.2
229.04955	0.4
230.05730	0.3
232.53217	0.2
233.04480	0.9
234.05208	0.2
235.05991	0.2
241.04922	0.2
243.02951	0.5
244.03642	0.6
245.04521	0.4
257.04501	0.7
258.05255	2.1
259.06046	1.0
261.03909	2.5
269.04434	0.3
272.03253	0.5
273.03894	0.6
275.05560	0.2
285.03967	0.3
286.04700	1.6
287.05478	1.2
289.03445	2.7
289.25229	0.5
300.02594	0.3
301.03455	0.8
301.06879	0.3
302.04413	0.8
302.07111	0.2
303.04984	1.4
304.05740	1.4
305.24673	0.2
306.25082	0.4
307.26208	0.7
313.03467	0.4
315.04916	1.4
316.02295	0.3
317.03006	7.4
317.06561	1.6
321.09702	4.4
325.27271	0.4
326.65637	0.2
331.04510	4.5
331.08337	0.3
332.05276	31.1
333.05688	0.6
339.10760	2.9
346.06882	0.4
347.07617	100.0
348.08130	1.3
361.09122	1.1
389.08377	0.3
685.37921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05515	0.2
57.03411	0.4
63.99662	0.2
64.00828	0.2
65.03930	0.8
67.05485	0.8
68.99805	0.3
69.03419	0.8
69.07056	0.6
70.06590	0.4
71.04987	0.3
71.59603	0.2
71.60044	0.2
73.02909	0.3
77.03950	0.4
79.05503	0.5
79.40894	0.2
79.95261	0.3
80.98734	0.2
81.03416	3.1
81.07061	2.2
83.08614	0.3
85.02904	0.9
89.03919	0.6
91.05483	9.4
93.07027	0.9
95.04966	0.4
95.08600	1.3
97.02886	0.5
97.10193	0.3
97.15692	0.2
99.04455	0.2
103.05488	0.4
105.07035	0.5
107.04962	0.4
107.08590	1.0
109.02859	1.2
109.06511	0.2
109.10176	1.3
110.03689	0.4
114.10290	0.2
117.03386	1.3
119.04948	14.8
119.08610	0.4
121.10174	0.4
122.03679	0.3
123.11701	0.7
127.03887	0.6
131.04915	0.3
132.02132	0.3
133.02852	0.3
133.10159	0.3
135.04401	0.4
135.11670	0.4
136.05171	0.3
137.02339	4.3
137.03374	0.3
137.05951	0.8
145.02853	3.8
145.10104	0.2
147.04417	13.5
148.04712	0.2
149.02336	0.5
149.05965	0.7
149.13278	0.6
150.03122	0.5
151.03911	0.4
153.01808	1.5
153.05429	0.4
153.35225	0.2
157.03990	1.1
159.11679	0.2
161.06000	0.2
162.03133	0.4
163.03938	1.2
163.07645	0.2
164.04698	0.3
167.07030	0.6
171.02946	1.0
173.06003	0.5
175.03917	24.3
177.05482	6.2
178.05806	0.2
179.06982	1.1
181.04971	0.3
191.07072	0.3
192.04225	0.5
200.04674	0.6
204.04189	0.8
205.04784	0.3
207.06540	62.0
208.06831	0.5
210.08549	0.3
219.10248	0.3
225.07539	0.4
228.04160	2.1
229.04953	2.1
230.39485	0.2
245.04584	1.0
246.05215	0.3
256.03714	0.6
257.04437	1.9
258.05231	0.5
271.05856	0.4
271.24200	0.4
273.03976	0.9
274.04730	3.6
285.03888	1.1
289.25262	0.6
301.03458	10.1
302.04227	42.1
303.04721	1.0
307.26245	1.0
317.06570	100.0
318.06903	1.8
321.09723	0.4
325.27380	0.4
332.05328	0.4
347.07687	1.9
351.10727	4.8
359.07813	0.2
369.11816	3.1
470.08249	0.2
685.17957	0.4
685.36194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01873	3.5
55.05501	0.7
57.03429	0.7
57.07067	2.4
61.02921	0.5
67.05505	2.4
69.03420	3.2
69.07072	3.7
70.02946	2.4
71.04997	0.6
71.60036	0.5
72.04147	0.7
72.04517	8.2
73.02915	4.3
76.85729	0.4
79.05489	1.0
81.03419	5.5
81.07069	2.3
83.04986	2.8
83.08601	0.6
84.04483	1.1
85.02895	2.9
85.06550	2.8
85.10162	0.6
86.09672	1.7
87.08087	1.0
90.05557	10.4
91.05469	1.2
93.07043	1.3
95.01370	0.4
95.04965	3.7
95.08601	0.7
96.08109	0.8
97.02898	3.0
97.06537	0.4
98.02416	4.2
99.04449	1.9
99.08083	0.6
100.04000	2.0
102.05545	0.5
103.03929	0.4
103.07571	0.9
105.07029	1.2
105.29379	0.4
106.20835	0.4
107.04949	0.7
107.08601	0.7
109.02877	8.6
109.06526	0.4
109.10146	1.0
111.04420	0.8
111.08098	0.4
112.07603	0.8
113.06017	2.3
115.03914	0.5
116.03461	8.4
119.08559	0.8
121.02881	1.6
121.10146	0.9
123.08102	0.4
124.07595	8.8
127.03083	0.5
127.03921	4.9
130.05000	0.6
130.08549	0.5
131.07011	1.1
131.08527	0.4
132.06573	2.9
133.10098	0.8
135.08101	0.4
135.11693	0.5
137.05983	0.5
138.05501	0.8
139.03862	0.4
142.08632	6.7
145.04965	3.6
145.10132	0.6
146.01576	0.3
147.11662	0.4
148.06038	0.8
149.09663	0.5
156.10193	0.8
160.09668	2.4
163.11182	0.5
165.12759	0.6
166.08643	1.9
167.06970	0.8
169.05006	0.4
172.09679	1.5
174.11238	1.4
177.05472	1.0
180.06636	0.5
181.04938	1.3
184.07289	0.5
184.09695	11.8
187.05972	0.4
193.08635	0.7
198.07611	1.6
199.06041	1.8
202.10745	30.7
203.11511	0.9
211.09692	4.0
216.08707	2.1
217.07077	1.3
220.11790	5.3
224.03226	0.4
227.07063	0.4
229.05063	1.9
230.10199	3.0
234.09776	3.4
241.04958	0.4
242.06383	0.4
243.06673	0.5
244.11847	1.0
257.04489	3.1
262.12881	6.4
270.05148	0.6
271.05966	4.0
272.06805	3.4
299.05508	7.9
300.06284	43.5
301.06638	1.2
301.21771	0.4
310.12845	3.0
315.08618	100.0
316.09000	3.6
328.13925	14.6
346.14871	3.5
351.25211	0.6
357.09802	0.7
364.16107	3.8
427.28549	0.8
444.13992	0.4
445.29694	3.8
463.30835	4.0
477.13629	0.8
481.28778	0.4
513.13281	0.4
516.31476	0.7
548.17780	3.1
615.12067	0.4
660.22864	11.6
661.23309	0.9
678.23828	1.5
678.39380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01870	0.3
55.05496	0.3
57.03430	0.4
59.55916	0.2
63.02397	0.3
67.05479	0.7
68.30425	0.2
69.03421	1.3
69.07068	0.3
69.95413	1.1
70.06583	0.2
71.04996	0.3
76.17645	0.2
78.04710	0.3
79.05498	0.4
81.03416	4.7
81.07046	0.8
83.04993	0.3
83.08657	0.2
85.02907	1.7
85.57160	0.2
89.03913	6.7
91.05470	0.8
93.07018	0.6
95.04962	0.7
95.08598	0.4
97.02885	0.7
98.20817	0.3
99.04446	0.5
101.09202	0.2
103.05486	0.3
105.07036	0.4
106.04160	0.3
107.08599	0.6
109.02908	1.5
109.10139	0.6
117.03380	20.9
118.03695	0.3
119.04916	0.3
119.08614	0.3
121.06480	0.2
121.10140	0.3
124.05173	0.4
124.12006	0.2
127.03873	0.5
133.10118	0.3
134.03632	1.6
135.04427	1.8
137.05937	0.4
145.02844	55.4
146.03172	1.2
147.04422	0.5
149.04787	0.4
149.05981	7.7
151.03906	0.5
158.05986	0.6
159.11604	0.2
162.03226	0.2
163.03902	1.0
163.11238	0.2
165.08929	0.2
167.03365	0.5
167.07045	0.3
177.05466	100.0
178.05798	1.8
181.04808	0.3
186.05524	3.6
191.07062	0.4
195.06490	1.0
207.06519	0.3
231.06483	1.5
253.12766	0.3
259.06042	5.3
271.05948	0.3
271.14227	0.3
285.07620	0.2
286.04251	0.2
287.05478	7.8
288.05838	0.3
301.07031	1.0
302.07587	0.3
305.24707	0.2
313.07022	0.3
315.04980	21.9
316.05365	0.9
321.09698	6.4
323.25760	0.4
329.06589	1.6
330.07330	28.7
331.07959	1.4
335.20554	0.5
339.10724	2.8
345.09683	85.9
346.09976	3.1
353.21771	0.9
364.52182	0.2
371.22668	0.6
683.35217	1.1
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
53.03939	2.3
55.01868	1.6
55.05264	1.0
55.05515	15.3
57.03439	8.0
57.07076	3.8
58.84146	0.7
59.31480	1.0
61.02645	1.3
61.02928	20.4
64.21225	0.7
65.03941	2.4
66.96419	0.7
67.05505	81.4
69.03418	3.4
69.07072	15.8
69.41796	6.7
71.04993	2.7
71.08620	1.8
73.02913	7.2
75.04471	1.7
78.39410	0.7
79.05497	39.6
79.05959	2.1
79.50233	0.7
80.05827	0.9
81.03414	3.0
81.07060	90.4
83.04977	2.6
83.08625	9.6
85.02422	1.4
85.02906	21.0
85.06535	3.0
91.03956	19.3
91.05479	23.4
93.07047	59.8
95.04980	6.1
95.08609	72.5
96.08910	0.8
97.02889	11.0
97.06522	3.7
97.10177	5.5
99.04432	1.8
99.08098	2.4
103.03944	1.2
105.04509	1.1
105.07034	21.1
107.05005	0.8
107.08600	37.7
109.02856	1.0
109.06517	2.4
109.10161	40.9
111.08089	2.0
111.11697	1.6
113.09660	1.5
115.03941	1.7
117.07027	7.8
119.08577	19.4
121.10145	36.0
123.08099	1.9
123.10812	1.3
123.11711	20.9
125.09630	1.9
127.03912	7.3
131.08575	20.0
133.10139	16.7
135.08070	1.1
135.10674	1.9
135.11696	29.6
137.09633	2.3
137.13255	7.7
139.11174	1.3
143.08554	0.9
145.04959	8.6
145.10123	17.3
147.11679	11.9
149.09650	1.6
149.13266	20.1
151.11195	2.7
151.14790	3.2
153.12772	1.2
157.10194	1.2
159.11694	15.3
161.13263	11.7
163.06032	12.6
163.11217	1.4
163.14824	15.1
165.12778	2.8
171.11690	0.8
173.13287	16.6
175.14807	4.9
177.12750	2.8
177.16376	5.2
179.14264	2.2
187.13313	1.1
187.14848	9.3
189.16284	1.6
191.14377	2.1
201.16357	4.4
205.15965	1.7
215.17856	1.2
218.88974	0.8
219.17467	1.5
233.22632	3.0
243.21091	36.8
244.21451	0.9
261.22147	100.0
262.22491	2.3
263.23758	1.8
277.21887	0.9
279.23181	6.0
309.15857	0.9
317.24957	1.6
335.25818	36.0
336.26111	1.5
338.65250	0.9
353.26892	41.2
354.27292	2.0
443.27719	1.3
461.28702	1.4
479.29666	1.8
497.31064	6.7
537.06067	0.9
629.60645	1.0
677.34088	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2182
Annotation	6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-robinobioside
Peak:m/z	Relative Intensity
53.03930	0.4
55.05510	0.4
57.03438	1.6
58.16491	0.2
61.02925	0.3
63.74556	0.2
64.12006	0.2
67.05490	0.7
68.63918	0.2
69.03432	1.1
70.06570	0.2
70.74809	0.2
71.04998	7.5
71.59850	0.3
72.35204	0.2
73.38695	0.2
75.04484	0.6
79.05481	0.5
81.03403	0.7
81.07048	0.6
83.04958	0.8
85.02909	10.7
85.50340	0.2
87.04477	0.3
91.05488	0.6
93.07065	0.4
94.71915	0.2
95.04939	0.3
95.08600	0.4
97.02899	1.2
99.04443	0.3
105.07041	0.4
107.08597	0.6
109.02895	0.5
109.10154	0.4
109.69978	0.2
110.51237	0.2
110.63617	0.2
110.74552	0.2
111.04437	0.7
115.18469	0.2
117.03377	0.2
118.04153	0.6
119.08547	0.4
121.10152	0.3
123.04466	0.5
127.03902	0.5
129.05507	2.2
131.08560	0.2
133.10132	0.3
135.08069	0.4
135.11725	0.2
136.07535	0.2
137.05984	0.9
145.04929	0.4
146.03629	0.5
146.62991	0.2
147.04381	0.4
147.06520	0.4
149.02397	0.3
150.50957	0.2
151.03923	1.0
153.05472	3.4
163.07463	0.2
164.04732	0.8
166.06273	0.2
167.03423	4.2
167.07045	2.7
168.07828	0.7
174.03148	0.2
176.04730	1.6
177.05481	0.8
178.06284	0.2
179.03435	1.3
179.07021	0.3
181.08595	0.2
191.07074	0.3
192.04187	0.7
195.06546	1.1
197.04477	0.6
207.06602	0.5
215.06912	0.3
221.04642	0.3
221.08134	0.6
243.06517	0.7
257.08185	0.2
258.08850	0.6
271.06128	1.2
272.06766	0.3
273.07626	0.4
274.04694	0.3
275.05539	1.3
275.08121	0.2
285.04184	0.4
285.07602	2.0
286.08417	0.7
287.09348	0.3
289.07126	0.5
292.19006	0.4
297.07425	0.3
299.05487	1.1
300.06329	0.4
301.07132	1.2
311.05603	0.4
312.06207	0.3
313.07178	1.3
313.10336	0.2
314.04422	0.4
314.07892	0.9
315.05240	0.4
315.08667	2.6
316.09296	0.5
317.06531	2.0
319.11826	1.9
323.26105	0.3
327.04993	0.7
328.06168	0.3
329.06580	4.9
331.08160	2.0
341.06375	1.1
342.07336	0.8
343.08099	1.1
344.08768	1.6
345.06104	5.0
345.09332	0.2
346.06720	0.3
346.10547	0.6
359.07593	2.3
360.08362	3.4
360.12665	0.4
361.08981	0.2
375.10764	100.0
376.11087	3.3
683.34802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01886	1.4
55.05499	2.8
56.96555	1.0
57.03438	4.0
61.02695	0.5
61.02932	5.1
62.45606	0.5
63.45257	0.5
67.05498	5.9
69.03442	2.9
69.07056	1.9
70.06573	2.3
71.04977	0.9
71.57404	0.9
73.02934	3.6
79.05487	6.7
81.03418	62.1
81.07065	5.9
82.03741	1.4
83.04992	2.1
83.08138	1.1
83.08620	18.1
84.04480	0.6
85.02907	10.0
85.06570	0.5
91.03956	7.0
91.05483	8.7
93.07047	3.6
95.01286	0.6
95.04969	21.9
95.08587	2.2
97.02901	6.0
97.06503	1.5
97.10170	1.1
99.04420	1.1
103.03975	0.7
103.05450	0.8
105.07011	5.8
107.04948	4.5
107.08571	2.7
109.02872	1.7
109.06506	1.9
109.08596	0.5
109.10140	1.3
111.04433	1.6
111.08080	9.8
113.06078	0.6
113.18331	0.5
115.05438	0.6
117.06991	0.9
119.04922	1.0
119.08598	7.3
121.02842	0.5
121.06488	1.6
121.10134	3.7
123.04438	3.0
123.08083	0.7
125.09613	0.9
127.03915	3.7
129.07010	5.4
131.04918	1.2
131.08574	5.2
132.04431	1.3
133.06473	2.1
133.10103	3.4
135.07973	0.9
137.02364	1.1
137.06004	2.6
139.03900	1.9
142.07733	1.1
145.04942	4.0
145.10101	1.6
147.04379	1.3
147.08064	2.1
147.11682	6.3
149.05939	0.8
149.09653	4.2
151.03911	2.9
157.10150	8.2
161.06015	1.3
163.03897	1.3
163.06017	5.7
163.07512	2.4
163.11206	1.1
165.12706	1.5
167.07048	0.8
173.09665	0.8
175.11174	12.2
177.05426	0.7
181.04936	1.6
189.09106	0.8
189.12781	0.8
191.03539	0.5
193.12245	59.9
194.12631	0.9
207.13881	0.7
209.08006	0.8
211.13252	6.0
225.09164	0.9
235.13290	4.7
242.51610	0.5
249.11198	0.8
252.71562	0.6
259.13159	1.6
267.15918	36.7
268.16309	1.4
273.14862	1.4
285.16965	100.0
286.17227	2.7
295.09882	0.7
301.14456	1.1
309.16940	19.0
319.15393	0.7
327.18100	2.2
333.05917	0.7
351.17911	2.6
363.17996	5.5
375.18063	2.8
389.09912	0.6
393.18973	3.6
411.20160	3.0
429.21167	10.9
488.12827	0.7
497.14334	1.2
591.26428	1.6
674.90167	0.6
676.26379	0.9
677.28241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53333	0.3
56.87701	0.2
63.13542	0.2
64.91777	0.2
67.05502	0.9
69.03442	0.3
69.07086	0.4
70.06616	0.2
79.05487	0.6
81.03432	0.4
81.07063	1.0
82.77267	0.2
83.08634	0.3
85.83146	0.2
88.48493	0.2
90.67773	0.2
91.05477	0.6
93.07039	0.7
95.04970	0.5
95.08619	0.6
97.10174	0.3
98.20688	0.4
105.07030	0.5
113.97067	0.2
119.08636	0.4
121.10159	0.2
127.94918	0.2
159.75896	0.2
185.04225	0.7
232.91286	0.3
259.07877	0.4
291.19281	0.4
309.59784	0.3
333.24805	0.6
347.09427	1.5
515.31927	27.3
516.32367	1.1
677.37170	100.0
678.37286	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	675.3957
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
53.03922	0.3
55.01837	1.1
55.05490	0.9
56.05789	0.3
57.03412	0.4
58.99837	0.9
61.02895	0.8
67.05515	2.2
69.03400	0.7
69.07071	5.6
70.56161	0.9
70.56522	0.7
77.00912	6.6
77.69612	0.4
79.05446	1.5
79.05855	0.3
80.00049	0.4
81.03386	1.3
81.07062	3.6
83.08578	0.4
85.02854	1.3
91.05476	1.8
93.07056	2.3
95.01952	4.4
95.04930	1.4
95.08570	1.7
97.02847	0.8
97.06506	0.6
97.10159	0.8
97.30067	0.4
100.02452	0.5
105.06989	1.7
107.08607	1.9
109.02798	0.5
109.06461	0.6
109.10110	1.1
110.81516	0.3
115.02398	0.8
118.03528	0.6
119.08545	1.3
121.06532	0.5
121.10081	1.0
125.09669	0.5
127.03874	0.4
129.03972	1.7
131.01878	0.4
131.05606	1.8
131.08510	0.5
133.03482	0.4
133.10129	1.0
135.05032	0.4
135.11696	0.9
139.06015	0.4
141.03934	0.8
143.05562	0.7
145.03366	0.4
145.10107	1.2
147.05115	1.7
147.11674	0.8
149.06595	2.7
149.13243	0.6
153.03967	0.5
155.05545	1.1
157.03423	0.7
158.04364	0.3
159.05022	1.2
159.11726	0.4
161.06586	0.8
163.08162	0.6
163.11160	0.5
169.03438	1.0
169.07050	1.2
171.04997	1.5
171.08594	0.4
171.11661	0.7
172.08160	0.4
173.06624	1.9
173.09714	0.4
179.09108	0.5
181.07085	0.6
183.05048	0.7
183.08653	1.1
185.06581	1.2
185.10237	1.3
187.08226	2.7
189.05998	0.4
189.07568	0.4
191.07637	1.6
193.07054	0.6
194.53882	0.4
195.08667	0.9
197.06573	1.3
197.10194	1.6
199.08145	1.7
201.09731	7.5
203.07596	0.5
203.09392	0.8
203.11295	4.1
205.09175	1.4
205.10817	0.8
207.08705	1.0
209.06581	0.4
209.10146	0.7
211.08163	7.7
212.08408	0.4
213.09747	2.7
213.13318	1.1
215.11278	8.2
216.11557	0.5
217.09100	0.6
217.10924	0.7
219.08717	0.7
219.10770	5.3
219.14384	0.6
221.06609	0.5
221.10158	4.8
222.10274	0.5
223.08339	0.4
223.11783	3.0
224.11252	0.7
225.09645	2.4
227.11185	3.1
229.09241	4.1
231.10759	1.6
231.14410	4.5
233.06538	0.5
233.10231	0.8
233.12355	2.9
234.07396	0.5
234.09805	1.2
235.11833	0.7
237.09712	0.9
238.12758	1.1
239.11293	47.0
240.11519	1.7
241.12784	2.4
243.10808	1.9
243.14444	1.0
245.12428	2.9
248.11362	0.4
249.09666	3.3
251.11237	2.0
253.09166	0.4
253.09830	0.4
253.12823	6.5
255.10922	0.6
257.12354	59.0
258.12576	2.9
259.13834	0.5
261.09763	1.0
262.10492	0.9
262.12903	9.0
263.11060	0.5
267.10837	6.6
267.14069	0.8
269.12354	4.1
271.13885	6.6
272.14032	0.4
275.14905	0.8
275.20081	0.5
276.14557	0.6
279.10828	5.8
279.13919	0.7
280.11353	1.2
280.13956	2.8
281.12396	1.2
283.15530	0.5
285.11890	4.4
287.15039	0.5
289.13068	0.7
289.16516	0.7
290.12387	0.8
291.19507	0.6
293.15906	0.8
294.15417	0.4
297.11880	3.2
297.15027	0.6
298.12677	0.7
301.16440	0.7
302.12476	0.5
303.18124	0.9
305.19373	0.6
307.14218	0.8
307.17557	3.3
313.16464	7.0
320.13165	0.5
321.19180	0.9
325.18588	0.5
330.07025	0.9
330.19168	0.5
331.07956	1.2
331.17554	33.9
332.17749	2.1
345.09692	1.6
346.10062	1.9
348.65472	0.7
349.18610	100.0
350.18832	5.1
354.19229	3.7
367.19675	43.4
368.19928	2.8
372.20224	10.4
373.20572	0.8
390.21280	13.6
391.21368	1.3
439.85065	0.5
459.27582	0.6
460.27826	1.8
478.28882	2.1
503.28296	0.8
521.29688	0.7
621.36340	1.1
639.37372	7.3
657.38519	17.1
658.38892	1.7
675.39563	44.0
676.39679	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	670.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	3.3
55.05513	37.0
57.03427	10.6
57.07080	19.5
61.02935	29.4
67.05511	35.9
69.03431	3.7
69.07072	49.5
69.07420	5.4
70.87518	6.0
70.87875	4.0
71.08646	9.5
73.02916	12.7
76.93466	3.0
79.05493	20.0
81.03442	4.0
81.07063	46.6
83.08629	38.4
85.02908	35.1
85.10197	4.2
91.03965	28.4
91.05489	4.8
93.07055	30.0
95.08612	38.5
97.02914	13.7
97.06541	12.3
97.10184	26.1
102.08044	3.0
105.07016	3.3
107.08590	18.7
109.10156	20.6
111.08094	6.8
111.11726	6.9
112.87458	3.1
113.09649	2.9
121.10152	43.8
123.11716	13.9
125.09612	4.2
127.03921	10.5
135.11690	36.3
137.13242	7.2
145.04984	11.4
149.13290	12.8
163.06042	20.4
163.14813	3.9
217.71826	2.9
219.21059	38.9
220.33946	3.5
237.22137	92.9
238.22456	4.5
255.23192	24.3
311.25809	100.0
311.86038	2.8
329.26892	88.0
329.30817	5.6
473.31201	8.0
489.30066	3.7
617.20154	3.5
670.39429	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	674.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05505	3.0
57.03446	0.9
57.07077	61.6
59.05005	13.3
67.05521	4.6
69.03402	1.3
69.07069	2.7
69.33614	9.0
71.08633	62.8
73.06553	4.7
79.05481	2.7
81.03420	1.4
81.07057	3.2
83.05000	1.1
83.08636	2.7
85.10186	54.4
87.04476	13.7
89.06036	100.0
90.06392	1.0
91.05463	3.0
93.07045	3.1
95.04979	2.4
95.08596	2.1
97.06527	0.9
97.10185	2.6
99.11747	5.2
103.07577	6.5
105.07036	2.4
107.04938	0.8
107.07085	5.2
107.08603	1.8
109.06461	1.0
109.10183	1.8
115.85928	0.7
116.33062	0.8
117.07018	0.9
117.09100	3.9
119.08557	1.7
122.90106	0.8
129.07053	1.0
130.07826	0.8
130.08627	5.2
131.07050	4.9
133.08609	74.2
141.16367	4.6
145.10120	1.0
149.13158	0.8
157.10172	0.9
161.11775	1.5
173.11769	1.0
175.09662	4.9
177.11234	37.3
184.07315	1.1
199.20619	7.1
217.72751	0.9
219.12308	2.3
221.13846	7.6
239.14915	3.5
243.23224	4.9
265.16394	1.6
271.01968	1.0
283.17545	3.2
291.19604	2.0
309.19061	1.5
353.21649	0.9
371.22934	1.8
415.25488	2.2
441.26981	1.4
459.28009	14.9
499.30957	2.3
503.37054	1.0
577.77295	0.9
657.48010	2.4
674.40680	3.0
674.51349	6.5
675.39886	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35578	0.2
53.03950	0.2
55.01880	0.4
55.05510	3.7
57.03191	0.5
57.03444	3.3
57.07076	35.6
58.07414	0.4
61.02928	13.7
65.03941	0.2
67.05505	9.9
69.03431	1.6
69.07070	7.1
69.95431	1.1
71.04993	0.5
71.08632	29.4
73.02914	5.0
75.04485	2.2
79.05495	0.7
81.03403	1.0
81.07058	14.3
83.08619	11.9
85.02906	16.0
85.06553	0.6
85.10182	17.2
86.03230	0.2
87.04469	0.3
89.06033	0.9
91.03955	16.2
91.05473	0.5
91.81470	0.2
92.05786	0.2
93.07045	1.4
95.04988	0.4
95.08607	23.6
96.08928	0.4
97.02896	8.2
97.03514	0.5
97.09554	0.3
97.10171	6.0
99.04451	1.2
99.08073	0.5
99.11742	1.3
103.03926	0.4
103.07603	0.5
105.07036	0.5
107.04945	0.3
107.08596	0.3
109.02882	0.7
109.10157	11.8
110.10493	0.3
111.11732	1.6
113.13269	0.4
115.03935	0.9
119.08551	0.3
121.10143	0.5
123.11711	4.6
125.13270	0.9
127.03918	7.0
127.14821	0.2
133.10071	0.3
135.11708	0.4
137.13232	2.2
139.14838	0.4
141.16435	0.3
145.04964	7.7
146.05280	0.2
151.14818	1.1
156.92981	0.2
163.06020	13.4
164.06508	0.4
165.16420	0.8
184.87007	0.2
202.47711	0.2
204.08746	0.5
221.22629	0.8
239.23694	20.4
240.24097	0.6
257.24753	3.8
275.25635	0.3
298.27411	0.8
313.27365	100.0
314.27695	4.5
331.28424	53.5
332.28757	2.1
416.64514	0.2
475.32687	0.8
636.39294	0.3
672.41284	0.6
673.42212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01875	2.6
55.05512	18.4
57.03431	5.1
57.07075	10.4
59.04987	1.5
61.02927	4.2
65.03945	1.9
67.05169	2.7
67.05505	35.6
69.03423	10.6
69.07066	41.0
70.06585	3.9
71.04974	2.8
71.08629	6.4
71.29107	2.6
79.05495	21.1
81.03428	9.4
81.07059	92.9
82.07370	1.7
83.04985	3.5
83.08620	26.3
85.02904	38.7
85.06513	2.2
85.10173	3.5
87.04432	1.7
89.03905	2.7
91.05474	17.1
93.07047	43.9
95.04987	8.5
95.08609	100.0
96.08862	1.5
97.02878	9.0
97.06541	3.0
97.10168	15.8
99.04414	3.9
103.05484	2.9
105.07028	25.6
107.04921	3.0
107.08597	40.4
109.02894	5.4
109.06517	4.2
109.10159	57.7
111.08071	4.0
111.11712	11.8
116.98563	1.9
117.03391	8.8
117.06992	2.6
118.39364	1.7
119.04951	3.2
119.08578	13.7
121.10136	40.7
123.04455	1.9
123.08009	2.2
123.11703	37.9
124.11981	2.1
125.09627	2.9
125.13229	9.3
127.03940	8.5
127.68951	1.7
129.07121	1.6
131.04936	2.5
131.08565	2.0
132.04446	2.2
133.06494	2.4
133.10121	11.9
135.11687	45.1
137.05968	11.2
137.13258	30.7
137.14252	3.0
139.11171	6.6
139.14883	2.2
145.02855	27.1
145.04938	10.7
145.10170	2.2
147.04424	9.1
147.11708	23.1
149.06012	6.2
149.13264	40.1
151.03922	5.7
151.07552	2.7
151.11150	1.6
151.14821	10.5
153.12738	4.1
161.05936	3.9
161.13235	7.4
163.06104	3.3
163.07539	4.0
163.14824	20.5
165.12802	8.2
165.16417	4.6
167.07051	5.8
167.14314	2.1
173.06096	2.0
173.13354	2.0
175.03897	2.3
175.07541	3.2
175.14861	4.9
177.05467	52.7
177.16382	12.6
178.05923	2.2
179.17793	2.1
180.90781	1.7
181.04898	1.8
183.13814	14.8
187.07622	2.7
189.05550	1.7
189.16374	3.9
191.06985	2.3
191.17946	7.6
193.19363	1.9
203.17920	6.0
206.98802	1.6
207.06476	3.2
209.19067	2.3
217.19545	9.0
219.21091	2.0
233.22701	2.1
247.24269	5.0
273.25757	41.1
286.04666	1.8
290.05936	1.8
291.26788	32.7
301.07159	2.6
305.08255	2.4
307.09714	1.9
309.27896	11.5
318.08701	3.5
320.10410	1.8
321.10870	1.8
327.29086	7.6
329.16083	1.9
331.08258	6.0
331.15195	1.7
333.11020	9.6
337.10767	2.6
339.12018	3.7
361.09161	7.1
365.13913	9.9
383.14883	22.8
417.30167	1.6
488.90463	2.1
489.18893	2.9
523.16919	1.9
669.24860	4.5
669.38245	6.2
669.50989	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.26249	0.3
55.01858	0.3
55.05507	1.0
56.36388	0.3
56.96543	0.3
57.03407	0.3
64.93699	0.3
67.05515	1.6
69.03416	1.4
69.07062	1.5
70.06593	0.9
71.04992	0.4
71.60595	0.4
73.02921	0.4
79.05477	0.6
81.03409	2.1
81.07047	3.1
83.04984	0.4
83.08604	0.7
83.94176	0.3
85.02904	2.0
89.03922	1.3
91.05479	1.5
93.07066	1.8
93.07567	0.3
95.04944	0.6
95.08609	3.4
97.02890	1.0
97.06536	0.5
105.07043	1.5
107.04948	0.8
107.08604	1.6
109.02883	0.9
109.06539	0.3
109.10143	2.5
111.11729	0.5
114.56693	0.3
117.03384	3.9
117.06931	0.3
119.04912	0.9
119.08577	0.7
121.06548	0.5
121.10142	1.3
123.04408	0.5
123.11696	0.9
127.03921	1.0
131.08557	0.6
133.10133	0.8
134.03664	0.5
135.04355	0.4
135.08028	0.4
135.11687	1.3
137.05994	1.8
137.13242	0.9
139.03850	0.3
145.02846	10.1
145.06503	0.5
147.04405	3.5
147.11687	0.7
149.05975	2.0
149.13292	1.0
151.03949	0.7
151.07550	0.5
153.01854	1.4
163.03947	0.6
163.07509	0.4
163.14815	0.7
165.09221	0.4
167.07071	0.4
171.02853	1.0
175.03969	0.3
177.05473	32.4
177.08861	0.8
178.05849	0.5
179.07027	0.5
181.04947	0.9
186.05467	0.8
191.17894	0.4
203.07207	0.4
205.04991	0.8
207.06490	0.4
242.05714	0.9
247.24301	0.3
258.05215	1.3
269.77228	0.3
270.05252	6.7
271.05701	0.6
273.04068	0.8
273.25797	0.6
285.07376	0.5
286.04593	0.7
287.05478	3.0
291.26678	0.8
299.05466	0.8
301.03525	2.1
301.06808	0.5
302.04211	3.0
309.27966	0.6
313.03329	0.9
315.04993	28.1
316.05643	4.3
317.06323	0.5
321.09622	2.4
331.08124	100.0
332.08490	2.7
333.11212	0.7
339.11026	1.1
365.13715	0.4
373.09644	0.4
383.14859	1.8
413.15887	0.4
434.66467	0.4
669.17737	0.5
669.38043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.1
53.03941	0.2
55.01875	0.1
55.05516	0.2
57.03440	0.1
57.07051	0.1
63.02383	0.2
65.03945	0.1
66.31142	0.1
67.01842	0.2
67.05502	0.3
68.99807	0.2
69.03432	0.6
69.07063	0.2
71.04980	0.1
71.32578	0.2
73.02935	0.1
78.04706	0.2
79.05492	0.1
81.03420	2.3
81.07057	0.4
83.08614	0.1
85.02895	0.6
89.03912	2.8
91.05466	0.6
93.07035	0.3
95.04962	0.3
95.08604	0.4
97.02881	0.4
97.10145	0.1
99.04457	0.3
103.05471	0.2
103.73356	0.1
105.07030	0.3
105.07706	0.1
106.04150	0.2
107.04970	0.2
107.08613	0.2
109.02885	1.0
109.10143	0.3
111.00803	0.1
111.04424	0.1
111.82841	0.1
117.03382	7.9
118.03723	0.1
119.04917	0.7
119.08614	0.1
121.02882	0.3
121.10157	0.2
123.04431	0.1
123.11699	0.1
124.05234	0.4
127.03907	0.2
133.06564	0.1
133.10136	0.2
134.03661	0.7
135.04433	0.9
135.11670	0.1
137.02328	0.5
137.05983	0.3
137.13257	0.1
137.24190	0.1
139.03922	0.1
141.05441	0.2
145.02847	21.9
146.03185	0.4
147.04424	0.8
147.11754	0.1
149.02342	0.2
149.05983	3.0
150.06288	0.1
151.03909	3.2
151.05003	0.2
151.07559	0.1
151.66460	0.1
153.01816	1.3
158.06044	0.2
161.09618	0.2
162.03133	0.2
163.03912	0.4
164.04683	0.6
165.01831	0.1
167.07025	0.2
171.02910	0.7
171.04315	0.2
173.05908	0.1
175.03909	0.8
175.11685	0.1
177.05470	56.4
178.05812	1.0
181.04875	0.1
186.05522	1.2
187.03920	0.1
187.07553	0.3
189.05434	0.3
191.07039	0.2
194.02119	0.2
194.05608	0.1
195.06548	0.5
199.03885	0.2
200.04459	0.1
201.05435	0.1
203.03278	0.1
203.06984	0.1
207.06538	2.6
215.03444	0.1
217.04951	0.9
218.05679	0.3
219.06514	0.2
227.03391	0.1
228.04195	0.8
229.04904	0.5
229.14238	0.1
230.05750	0.3
231.02937	0.1
241.04930	0.2
242.05753	0.3
243.06543	0.9
245.04437	2.7
246.05101	0.2
247.05943	0.1
256.03616	0.2
257.04422	0.7
258.05148	0.5
259.05988	0.2
267.02786	0.1
269.04456	0.3
270.05136	0.4
271.05991	1.0
272.06830	0.3
273.03934	3.7
274.04306	0.2
277.62515	0.1
279.08591	0.1
285.03906	1.0
285.07135	0.1
286.04718	2.1
287.05466	1.8
288.06253	2.0
288.09213	0.1
297.03992	0.1
298.04855	0.2
299.05515	0.7
300.02866	0.4
300.05832	0.1
301.03421	9.4
301.07059	2.5
302.03976	0.6
315.04987	10.9
316.05774	38.8
317.06091	1.2
321.09705	4.0
322.10028	0.1
331.08112	100.0
332.08453	3.4
339.10736	2.5
340.11200	0.1
346.06870	0.1
351.10699	0.2
361.09207	0.4
369.11612	0.2
373.09354	0.3
375.10760	0.2
490.18179	0.1
668.38666	0.2
669.18060	0.3
669.38898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80069	0.1
53.03952	0.2
55.01856	0.2
55.05506	0.4
57.03429	0.3
57.64727	0.1
60.05636	0.1
60.61711	0.1
61.02915	0.2
65.03934	0.6
66.01068	0.2
67.05481	0.6
68.99802	0.2
69.03423	0.6
69.07072	0.7
69.39562	0.4
69.39974	1.2
69.71215	0.1
70.06600	0.3
71.04989	0.2
73.02950	0.1
75.24656	0.1
77.03915	0.4
79.05485	0.5
81.03419	2.5
81.07070	1.2
83.08611	0.2
85.02910	1.0
85.06496	0.1
89.03911	0.5
90.24589	0.1
91.05482	7.2
93.07027	0.5
94.04140	0.3
95.04968	0.2
95.08630	1.2
97.02894	0.4
97.10163	0.2
99.04464	0.4
99.08102	0.1
103.05431	0.2
105.07021	0.5
107.04910	0.3
107.08574	0.7
109.02889	0.7
109.10142	0.7
109.18007	0.1
111.04393	0.2
111.11716	0.2
117.03384	0.9
119.04947	11.8
119.08568	0.4
120.05247	0.2
121.02855	3.8
121.06453	0.2
121.10146	0.5
123.04406	0.2
123.11698	0.6
127.03913	0.3
131.04919	0.3
132.02060	0.4
133.02852	0.2
133.06549	0.2
133.10190	0.3
134.03618	0.4
135.04379	0.2
135.11726	0.2
137.02332	0.6
137.05995	0.7
137.13242	0.2
141.07004	0.2
145.02846	2.5
145.10086	0.2
147.04411	10.9
148.04727	0.2
149.02344	0.6
149.05977	0.7
149.13234	0.3
151.07494	0.2
153.01810	1.1
157.04008	1.0
157.06511	0.6
161.05968	0.3
163.03900	0.4
163.07480	0.2
164.04680	0.3
167.07062	0.3
171.02956	0.8
171.04245	0.2
175.03909	21.4
176.04294	0.3
177.05478	5.8
179.07086	0.7
181.04938	0.3
184.05183	0.4
188.04643	0.9
189.05399	0.2
191.06931	0.3
192.04129	0.5
201.05435	0.2
207.06531	55.5
208.06854	1.0
209.08008	0.2
210.01472	0.2
210.05124	0.1
212.04663	0.6
213.05469	1.9
216.04185	0.3
225.07616	0.4
229.05017	0.8
229.14235	0.2
231.06522	0.2
240.04205	0.5
241.05002	1.5
242.05716	0.5
244.03387	0.2
245.04294	0.2
246.57607	0.1
255.06537	0.3
257.04495	1.0
258.05243	4.5
259.05713	0.2
269.04373	0.2
285.03955	10.8
286.04721	40.9
287.05084	1.4
291.26877	0.3
301.07062	100.0
302.04242	0.3
302.07416	2.7
309.27814	0.5
316.05768	1.0
317.06772	0.3
321.09558	0.3
327.28986	0.3
331.08099	3.2
334.99411	0.2
343.07977	0.2
346.06921	0.2
351.10739	4.3
352.10919	0.2
361.09146	0.2
369.11795	2.6
512.20001	0.2
521.97882	0.2
582.83606	0.2
638.08020	0.2
651.36328	0.3
669.27411	0.2
669.38452	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
55.01873	0.1
55.05491	0.2
63.02371	0.2
65.03925	0.1
67.05501	0.2
68.99787	0.2
69.03433	0.5
69.07101	0.1
70.12020	0.5
71.04987	0.1
73.02908	0.1
78.01097	0.1
79.05486	0.1
81.02972	0.1
81.03417	1.8
81.07051	0.3
83.08627	0.1
85.02898	0.6
89.03921	2.0
91.05473	0.5
93.07062	0.1
95.04971	0.2
95.08609	0.3
97.02890	0.2
99.04473	0.3
99.11151	0.1
105.06999	0.3
107.08617	0.1
109.02884	0.8
109.10130	0.2
117.03381	7.0
119.04945	0.4
119.08591	0.2
121.02856	0.2
121.06529	0.1
121.10108	0.2
123.04443	0.1
123.11703	0.1
124.05232	0.5
125.06010	0.1
127.03910	0.4
133.10158	0.1
134.03650	0.6
135.04434	0.6
137.02347	0.4
137.06039	0.1
139.03873	0.1
145.02843	21.5
146.03188	0.3
147.04378	0.6
149.05978	2.6
151.03900	2.6
151.05063	0.3
153.01817	1.6
158.06021	0.2
161.09683	0.1
162.03137	0.2
163.03937	0.3
164.04694	0.3
170.08159	0.1
171.02901	0.8
175.03885	0.7
177.05466	55.7
178.05824	0.7
181.54413	0.1
186.05473	0.9
187.03932	0.1
187.07599	0.3
189.05406	0.2
191.07074	0.2
194.02104	0.3
194.43462	0.1
195.06531	0.5
197.06096	0.1
199.03954	0.2
207.06529	1.5
213.05519	0.1
217.04913	0.7
218.05745	0.3
219.06477	0.1
228.04182	0.6
229.04907	0.5
230.05771	0.2
231.06523	0.1
242.05615	0.1
243.06541	0.8
245.04448	2.7
247.06021	0.2
248.06709	0.2
256.03802	0.3
257.04483	0.6
258.05142	0.3
259.05981	0.2
269.04465	0.2
270.05161	0.5
271.05991	1.1
272.03860	0.1
272.06793	0.4
273.03949	3.1
285.04004	0.8
285.06833	0.1
286.04666	1.2
287.05466	1.7
287.08475	0.2
288.06296	1.9
298.04691	0.2
299.05606	0.6
300.02737	0.3
301.03522	8.6
301.07062	1.9
302.04092	0.5
302.07193	0.1
315.02103	0.1
315.04993	9.5
316.05771	37.3
317.06067	0.9
321.09702	4.1
331.08109	100.0
332.08447	2.5
338.30679	0.1
339.10739	2.4
361.09192	0.2
373.09177	0.2
668.37854	0.1
669.17755	0.3
669.38391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01881	7.0
55.05515	20.1
57.03444	3.1
65.03947	1.6
67.05508	23.1
69.03428	3.1
69.07070	13.4
70.80437	2.8
70.80776	1.6
71.01357	2.1
71.04992	3.1
77.30113	1.2
79.05502	25.1
81.03424	6.4
81.06576	2.8
81.07063	51.4
83.04978	7.9
83.08623	12.9
85.02906	3.3
87.84467	1.2
91.05483	18.3
93.07055	18.7
95.04980	16.1
95.08619	9.8
97.02898	5.8
97.06522	4.7
97.10178	13.1
99.08099	1.3
105.07039	12.6
107.04961	9.8
107.08601	20.5
109.02890	2.4
109.06515	9.6
109.10162	10.1
111.04439	6.5
111.08102	4.0
117.07027	10.4
119.08588	18.6
121.06532	6.0
121.10146	8.2
123.04456	3.5
123.08080	11.8
123.11784	1.4
125.09644	15.1
128.06207	1.7
129.07008	4.2
131.08574	10.8
133.06526	3.6
133.10150	5.2
135.08064	9.6
135.11661	7.8
136.81129	1.2
137.09610	9.3
143.07300	1.2
143.08592	4.0
143.10727	1.6
145.06445	3.0
145.10152	11.0
147.08067	10.7
147.11658	2.9
149.09642	4.6
151.07661	1.5
151.11201	1.3
153.09106	10.2
153.12796	3.1
155.08565	2.5
157.10147	4.8
159.08067	3.0
159.11700	3.1
161.09631	8.8
163.11195	10.6
165.09131	5.8
169.10185	2.4
171.10191	1.3
171.11705	3.1
173.09712	2.3
175.11224	3.3
177.12831	2.5
181.12286	5.8
185.13261	2.5
187.11147	1.9
189.09441	2.2
189.11220	12.5
189.12747	2.2
191.10710	5.4
193.12230	11.5
199.11182	1.6
205.96979	1.2
209.11664	2.1
223.13345	5.0
227.12822	5.0
239.12886	1.4
244.33687	1.6
245.19077	3.4
249.14951	3.3
255.17465	3.0
272.47858	1.4
273.18533	34.5
289.18002	8.1
291.19568	100.0
292.19913	1.8
307.15735	1.2
307.19098	3.5
309.20706	7.0
597.49347	2.6
668.40070	2.1
669.71954	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.2
55.92344	1.8
57.03449	12.6
57.07078	22.5
59.04991	2.8
61.02919	5.7
67.05177	3.0
67.05509	56.2
69.07057	5.6
69.27679	15.2
69.28102	7.4
71.08637	21.0
74.51918	1.8
75.63733	2.0
79.05518	1.9
81.07056	13.5
83.08613	11.6
85.02888	3.9
85.06531	4.0
85.10172	6.8
91.03960	2.3
91.05486	4.1
93.07047	3.1
95.08622	13.3
96.05670	2.0
97.02887	3.8
97.10182	2.9
107.08616	2.6
107.45065	2.0
109.10163	66.4
119.08581	4.6
145.10095	2.6
147.03662	1.9
173.11804	18.7
229.14355	100.0
239.23621	2.8
245.97981	2.1
313.27377	78.7
314.27682	2.4
467.37320	59.1
664.46289	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	668.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
54.50160	0.6
55.01876	1.2
55.05513	7.4
57.03437	11.0
59.05007	3.2
61.02910	1.5
65.03947	1.0
67.05508	58.5
68.05828	0.9
69.03429	2.3
69.07076	2.5
71.04999	3.9
71.05318	0.6
71.59822	1.2
73.02901	0.7
79.00986	0.6
79.05502	7.3
81.03422	44.4
81.06579	0.9
81.07062	14.2
83.04980	2.6
83.08136	1.0
83.08623	14.0
84.04511	0.9
85.02914	3.0
85.06537	2.3
86.00658	2.9
86.09711	2.6
91.05484	12.4
93.07063	7.1
95.04971	14.4
95.08607	7.6
97.02904	2.6
97.06579	1.1
97.10169	2.1
99.98915	0.7
105.07044	7.9
107.04937	4.3
107.08602	4.5
109.02829	0.7
109.06516	3.0
109.10162	59.4
110.10500	0.8
111.04435	1.4
111.08071	5.5
115.05482	0.7
117.07019	1.7
119.04951	0.9
119.08594	9.5
121.06499	2.2
121.10171	3.8
123.08090	1.2
123.11710	0.8
124.99990	1.8
125.09647	1.5
127.03961	1.1
129.07008	4.9
131.04939	0.8
131.08560	4.2
133.06499	1.8
133.10123	4.2
135.08060	1.3
137.05959	1.3
137.09616	4.1
143.02727	1.9
143.08636	1.0
145.10138	1.3
147.04425	1.5
147.08105	1.9
147.11719	4.8
149.09610	3.3
151.11121	0.8
155.10674	2.6
157.10114	6.7
161.09647	1.1
163.11246	1.4
165.12790	1.5
167.07068	1.3
173.09471	1.0
173.11758	21.1
175.11176	6.1
184.07324	8.1
189.03241	4.5
189.09059	0.7
193.12248	18.4
203.96617	0.7
211.13261	1.6
229.14368	83.4
230.14774	1.2
249.14880	2.0
259.13324	1.2
267.15933	76.2
267.70993	0.9
268.16397	1.3
285.03922	0.8
286.04742	1.5
286.10526	0.6
301.07056	5.0
329.21240	1.8
355.20874	1.0
389.96945	0.8
403.24918	9.9
415.12057	0.7
421.25882	100.0
422.26199	1.9
463.26822	1.9
529.27765	0.8
547.29132	1.9
636.06244	0.7
649.45331	0.8
668.33887	2.5
669.37402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01867	3.8
55.05260	1.3
55.05517	18.0
57.03188	1.3
57.03442	19.8
57.07082	8.2
59.05004	1.3
61.02932	62.7
65.26688	0.9
67.05512	21.6
69.03431	25.1
69.06720	1.8
69.07073	25.9
69.07455	1.3
69.43499	2.1
69.43926	5.6
71.01352	2.8
71.04992	3.9
71.08632	4.2
73.02922	25.1
75.04487	1.8
79.05505	9.2
81.03417	20.7
81.06586	1.3
81.07063	26.7
83.04977	3.3
83.08620	19.3
85.02911	84.0
85.06543	1.8
85.10206	1.9
87.04457	2.9
91.03963	48.2
91.05501	2.6
93.07058	11.8
95.04957	2.8
95.08611	21.0
97.02901	65.5
97.06554	2.7
97.10172	10.6
99.04458	11.0
101.02393	7.5
103.03941	8.0
105.07044	1.4
107.08591	6.0
109.02881	13.5
109.06484	1.4
109.10159	10.2
111.04446	3.1
111.08099	1.6
111.11728	4.7
115.03946	7.3
117.05516	2.1
119.08573	2.0
121.06526	1.3
121.10149	13.7
123.11720	4.4
125.09668	1.5
125.13263	1.1
126.61265	1.2
127.03927	35.7
129.05469	5.4
129.06967	1.0
131.08614	1.4
131.18958	1.1
133.10146	2.3
135.08087	0.9
135.11702	8.6
135.98665	0.9
141.05476	1.0
145.04973	20.6
147.11792	1.0
149.13271	3.0
151.14832	1.7
155.06989	1.1
159.06535	4.3
163.06024	5.8
163.14799	1.6
165.16580	1.1
171.06537	2.8
174.66054	1.0
177.16435	1.6
183.06548	15.3
201.07596	9.6
219.08661	1.6
247.24315	7.6
265.25299	22.2
283.26370	1.6
291.19348	1.1
299.69852	1.1
316.19263	1.0
331.26572	1.0
332.49387	1.0
335.25824	1.2
337.27335	2.5
339.28964	100.0
340.29282	1.0
349.27475	2.1
355.26361	2.1
365.26996	1.2
367.28595	5.0
373.27322	4.0
381.29987	4.6
391.28384	1.8
393.29880	1.1
409.29547	1.9
411.31015	1.9
423.31122	2.5
447.31152	7.8
465.32190	7.4
483.33249	17.8
501.34259	3.5
663.39069	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	663.4147
Annotation	Unnarmicin C
Peak:m/z	Relative Intensity
50.16320	0.4
53.03916	0.5
55.05487	1.1
56.96571	15.5
67.05505	2.3
69.07039	0.5
69.76153	2.7
71.95265	2.1
72.96013	0.8
74.97600	0.7
77.00871	0.5
79.05466	0.9
81.03401	1.0
81.07022	1.7
83.08577	0.6
91.05458	1.2
93.07007	1.4
95.01913	0.7
95.04954	0.7
95.08591	0.6
97.02844	0.5
103.88094	0.4
105.06979	0.6
107.08571	0.4
109.02884	0.5
109.06533	0.7
109.09393	0.5
109.10124	1.0
110.97571	0.8
119.08589	0.9
128.98601	2.4
146.99640	2.7
147.07881	0.4
155.03734	0.6
169.05382	0.6
171.03317	0.8
175.02719	0.4
185.04816	1.2
189.04305	0.6
191.05901	0.5
199.06381	2.2
203.05917	1.8
204.06699	1.0
205.07451	1.0
211.06439	0.5
213.08008	2.1
217.07518	4.2
218.04585	1.5
218.18225	0.4
222.07787	1.1
223.10127	3.0
225.07951	1.6
231.08997	3.3
235.10205	0.5
236.05772	0.8
239.09557	3.3
241.11127	46.9
242.11485	1.0
243.09134	1.1
243.14465	3.2
251.09673	0.9
253.11124	2.5
257.10620	2.4
259.12195	66.0
260.12506	1.4
261.12793	0.6
261.15445	1.2
262.10995	0.6
264.12744	8.5
267.08978	0.8
269.10641	5.8
271.12152	1.2
281.10599	0.7
282.13812	8.9
285.10156	0.9
287.11685	3.0
291.19412	0.6
292.12152	1.3
299.11826	0.5
305.15256	1.2
309.17361	2.5
327.18301	0.6
332.18890	0.5
333.17227	4.5
339.18454	0.8
351.18414	45.2
352.18716	1.4
353.21802	5.2
368.21112	0.7
369.19510	100.0
370.19818	3.7
374.19974	5.3
376.23349	1.2
387.20529	9.6
392.21097	30.4
393.21399	1.8
410.22333	0.9
433.23795	0.5
501.32626	0.5
544.46088	0.5
645.40332	0.8
663.41492	66.5
664.41943	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	662.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.9
53.06291	3.2
55.01868	9.3
55.05509	19.1
57.03447	7.6
60.49938	3.2
60.71468	3.8
61.02918	5.7
67.05515	19.7
69.03430	15.0
69.07059	10.3
69.56873	28.4
77.54556	3.4
79.05509	20.4
81.03423	13.4
81.07064	24.4
83.04987	6.9
83.08630	12.7
85.02913	39.6
87.04514	3.1
90.77303	4.0
91.05469	18.2
93.07060	16.3
95.04980	12.9
95.08055	3.9
95.08620	15.2
97.02894	21.5
97.10204	8.5
105.07038	20.9
107.08590	11.9
109.02877	5.3
109.06522	3.3
109.10185	7.3
117.07023	12.0
119.08585	16.5
121.06487	3.6
121.10137	10.0
123.08070	3.9
125.09631	7.7
126.09181	4.6
127.03939	8.4
129.05782	4.6
129.07002	9.7
131.08580	13.9
133.06467	6.6
133.10130	15.2
135.08086	8.1
135.11705	6.1
137.09669	3.5
139.22548	3.5
140.10736	13.2
142.06595	4.8
143.08598	5.5
145.05026	6.1
145.10104	8.6
147.08031	7.4
147.11659	5.3
148.66451	3.6
149.09648	4.1
155.08569	4.6
157.10089	6.9
158.09534	4.9
159.11674	4.3
161.09639	18.0
163.11191	7.9
170.09644	7.1
171.11801	6.1
172.11192	4.6
184.07590	3.6
184.11266	11.0
185.04752	38.3
186.05560	11.1
188.07115	3.7
189.11214	6.3
189.12816	4.4
198.12729	5.9
216.01503	3.9
231.17535	3.8
249.14951	3.6
254.19073	6.9
255.17487	11.8
264.17365	6.8
268.13287	3.9
273.18558	56.0
282.18521	51.3
291.19547	57.6
300.19571	34.6
304.12921	3.7
309.13556	4.3
327.14597	29.1
328.15570	8.5
334.65292	4.5
368.14981	7.7
420.21503	16.3
429.22064	23.9
438.22772	100.0
447.22778	10.8
456.24536	3.9
465.17706	4.4
465.23932	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	662.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01881	7.2
55.05511	12.5
57.03429	4.4
61.02926	3.6
67.05523	14.7
68.32195	1.6
69.03436	15.7
69.07076	5.3
70.06583	2.0
71.05001	3.1
71.60001	3.3
73.02912	1.9
73.38945	1.8
77.36899	1.8
79.05502	15.3
81.03423	8.6
81.07063	18.7
83.08628	13.7
85.02917	39.9
88.26295	1.8
88.55441	1.8
91.03944	2.6
91.05488	15.1
93.07066	13.4
95.04977	11.1
95.08606	12.1
97.02881	16.9
97.06561	3.8
97.10181	9.0
99.04477	2.0
100.10759	1.9
105.07043	12.7
107.04951	2.6
107.08607	7.7
109.02894	4.5
109.06519	4.3
109.10169	5.7
110.09782	1.9
111.08076	3.2
115.05452	2.3
117.07033	9.7
119.08571	13.9
121.06517	2.1
121.10154	6.7
123.08102	6.1
125.09639	6.4
127.03930	7.9
129.05746	6.9
129.07018	7.9
130.06523	4.9
131.05000	2.3
131.08582	8.9
133.06499	2.5
133.10146	9.5
135.08086	5.8
135.11690	1.7
140.10695	13.7
141.06944	2.9
142.06548	3.0
143.08546	9.1
144.08096	3.4
145.04974	5.7
145.06470	2.3
145.10127	9.7
146.06065	1.9
147.08086	7.9
147.11700	5.1
149.02420	2.1
149.09648	4.9
151.11177	3.6
156.08177	4.2
157.10194	5.7
158.09669	4.3
159.08177	2.5
159.11716	3.6
161.09622	12.8
162.10464	2.7
163.11226	9.1
163.12393	1.7
167.08524	2.6
168.08139	3.2
169.10080	2.4
170.06003	3.3
170.09686	8.2
171.11751	4.2
172.07622	1.9
172.11172	3.1
173.09555	1.9
174.09135	2.5
175.03870	3.3
175.11238	5.5
183.11797	1.9
184.11177	10.7
185.04720	34.0
185.06277	3.6
185.13319	2.5
186.05421	8.9
186.12837	2.9
188.07097	4.8
188.10728	4.6
189.11319	3.2
194.50272	2.0
195.11772	2.3
198.12875	2.2
212.07095	4.6
213.16267	2.2
214.12331	3.5
222.12677	2.4
223.13277	2.0
227.17975	3.1
237.16357	4.4
242.15416	2.2
245.19084	2.9
254.19067	7.1
255.17456	6.8
264.17603	7.8
273.18506	47.5
282.18539	47.6
291.19589	44.9
292.20258	2.0
300.19592	31.3
304.13348	3.0
309.13611	4.5
318.20642	3.0
327.14688	21.2
328.15479	8.3
342.48425	2.0
350.14011	2.2
355.93124	1.7
368.15018	7.2
374.21133	2.7
379.39606	2.0
401.22324	5.0
402.20505	2.9
411.21188	3.8
420.21866	12.0
429.21848	24.2
438.22791	100.0
439.23096	2.9
447.22705	11.8
456.23767	6.3
465.23889	70.9
465.30521	4.5
593.56781	1.9
681.20026	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
53.72292	0.6
55.01869	4.5
55.05268	0.8
55.05515	13.9
57.03438	22.6
57.07078	3.3
57.34969	0.7
59.04987	0.9
61.02925	78.7
65.03929	1.7
67.05505	44.3
69.03429	32.8
69.03812	1.5
69.06719	1.1
69.07066	17.0
70.44133	1.3
70.44517	1.4
71.01356	3.8
71.04992	5.5
71.08617	1.9
73.02916	25.6
75.04491	1.9
79.05488	15.4
81.03418	24.7
81.07053	47.9
82.07410	1.0
83.01338	1.3
83.04984	5.9
83.08612	12.1
85.02902	100.0
85.06537	1.2
85.10147	0.9
87.04484	4.0
91.03953	59.3
91.05471	13.1
93.07043	16.7
95.04966	4.7
95.07981	1.0
95.08606	36.1
97.02888	77.2
97.06521	3.8
97.10164	7.4
99.04450	13.9
99.08092	2.7
101.02384	8.3
103.03942	10.6
105.07032	9.0
107.04981	1.2
107.08599	10.7
109.02876	12.1
109.06516	2.2
109.10155	19.3
111.04424	4.5
111.08084	2.1
111.11721	2.4
113.09626	1.3
113.57420	0.8
115.03938	6.6
117.05444	3.7
117.07009	2.4
119.08569	7.2
121.06549	1.1
121.10144	9.0
123.04447	1.3
123.08064	1.4
123.11711	8.8
125.09638	2.2
127.03913	37.6
127.11179	1.0
129.05475	6.7
129.07022	1.8
131.08559	2.2
133.06512	0.9
133.10133	7.5
135.11670	7.3
137.05975	0.9
137.09584	1.6
137.13225	3.7
139.03870	1.1
139.11185	0.8
141.05428	1.0
143.07043	0.7
143.08537	0.9
145.04961	26.6
145.06183	1.3
145.10139	3.1
147.06479	0.8
147.11685	5.9
149.13252	5.6
151.11180	1.2
151.14810	2.0
153.05516	0.7
153.12729	0.9
155.07034	1.2
157.10110	1.3
159.06558	3.7
159.07809	0.8
159.11702	2.5
161.13257	5.9
163.06018	8.5
163.11253	0.9
163.14812	3.3
165.16393	2.0
167.14334	0.8
168.06490	1.1
169.05132	0.6
171.06560	2.5
171.08009	0.9
171.11755	1.2
173.13200	1.8
175.14799	3.9
177.12740	0.6
177.16418	1.0
179.14325	0.7
179.17963	0.8
183.06526	12.7
185.13272	0.8
187.14758	1.2
189.16422	2.7
199.14929	1.1
201.07574	9.8
201.16441	1.5
203.17917	0.8
219.08636	2.0
243.21033	1.3
245.22638	12.8
247.99446	0.7
261.22119	2.5
263.23709	20.8
264.24142	0.8
275.19897	0.9
275.23697	1.2
279.23370	1.0
283.16818	0.7
287.23730	1.8
291.23181	1.4
293.24854	1.0
303.23135	1.7
305.24847	3.6
315.23077	0.9
317.24753	2.7
319.26324	1.0
325.24844	0.8
329.24792	2.1
335.25732	2.5
337.27359	96.1
338.27805	4.5
343.26230	1.4
347.25836	2.6
353.24762	3.2
359.25500	0.9
361.27261	1.0
365.27011	4.7
367.28018	0.9
371.25751	5.7
379.28497	3.7
383.96655	0.9
389.26740	2.3
391.28607	1.3
407.27792	2.9
421.29453	2.0
445.29529	6.7
463.30624	6.1
481.31616	15.8
499.32663	3.5
576.01648	0.8
661.36987	4.9
682.75659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
54.75440	1.2
55.01872	7.2
55.05513	18.9
55.36723	1.1
57.03436	3.2
57.07062	2.4
60.42511	1.3
64.52370	1.1
65.03933	1.5
67.05505	44.0
69.03427	1.8
69.07069	18.0
70.06577	1.2
71.04996	3.4
71.08642	2.2
71.60796	1.3
71.61212	1.6
79.05496	39.0
79.05961	2.0
79.88490	1.1
81.03422	4.4
81.07059	100.0
82.72254	1.1
83.04985	6.8
83.08618	12.1
85.06559	3.6
86.09719	2.9
91.05479	30.8
93.07045	29.4
94.07381	1.2
94.37554	1.3
95.04963	11.7
95.08604	26.0
97.06532	9.2
97.10181	3.9
99.08096	3.5
103.05457	1.2
105.07035	31.4
107.04945	7.0
107.08588	19.7
109.06516	18.3
109.10168	9.9
111.08109	2.7
115.05443	2.1
117.07027	5.2
119.08584	27.1
121.06508	6.0
121.10152	14.4
123.08088	5.6
123.11683	8.8
125.00011	1.9
125.09626	2.0
129.07027	2.8
130.07773	1.3
131.08571	11.4
133.10135	13.5
135.08038	3.1
135.11693	4.8
137.09636	6.0
145.10138	9.1
147.08092	2.1
147.11703	19.3
148.12012	1.8
149.08598	1.5
149.09633	7.8
149.13242	5.8
151.11131	2.9
157.10117	3.2
159.11720	7.6
161.09616	1.2
161.13274	3.3
163.11201	6.5
163.14813	2.2
165.12796	5.1
171.11716	2.1
173.13292	4.3
175.11215	2.9
175.14842	1.4
177.12785	2.5
179.14322	2.0
183.11812	1.6
184.07347	6.4
189.11226	1.2
189.12906	1.5
189.56244	1.2
193.12167	2.7
227.12802	1.5
239.17909	3.2
247.20546	5.0
257.19138	4.8
267.16043	2.4
275.20087	52.4
276.20377	1.3
277.21606	2.0
277.32318	1.2
286.84106	1.3
291.19504	3.3
293.21143	13.5
349.23709	23.6
367.24808	9.2
400.15192	1.3
427.13321	1.6
457.19208	2.1
511.15558	1.3
512.16180	2.1
561.37830	3.5
571.21356	4.1
599.20776	2.7
600.20660	1.8
623.43781	6.3
641.44006	14.0
659.23254	21.3
659.45709	21.7
660.23737	6.1
660.45410	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01862	1.1
55.05511	6.5
57.03437	1.7
57.07067	1.8
59.04989	1.1
61.02922	0.8
62.45358	0.8
65.03949	0.9
67.05502	7.1
68.80208	0.6
69.03436	3.7
69.06721	1.2
69.07072	15.6
70.06589	0.9
71.04248	0.7
71.04982	0.9
71.60104	1.1
79.05488	4.8
81.03416	2.3
81.07061	17.6
83.04981	1.4
83.08632	7.0
85.02905	6.7
85.06538	2.1
91.05493	3.9
93.07050	7.8
95.04980	2.1
95.08610	14.3
97.02895	2.7
97.06531	2.1
97.10184	5.5
99.08089	1.6
103.05479	0.8
105.07014	3.9
107.04984	1.3
107.08606	6.4
109.02867	1.6
109.06538	1.6
109.10159	10.9
110.10486	1.0
111.08057	5.7
111.11731	2.7
117.07065	1.1
119.04945	0.7
119.08585	6.2
121.06490	1.6
121.10142	6.1
123.04435	2.5
123.08076	2.5
123.11713	6.8
125.05967	0.7
125.09639	1.4
127.03929	1.6
131.08557	1.9
132.04456	0.8
133.10130	2.2
135.08049	1.9
135.11702	5.3
137.05991	1.9
137.09607	8.5
137.13252	2.6
139.07545	11.0
139.11220	1.5
145.04944	0.8
145.10129	1.6
147.04472	1.0
147.08055	0.9
147.11700	2.6
149.13304	3.2
151.07556	1.5
151.11192	2.0
153.09140	3.9
157.10153	1.6
159.11734	1.7
161.13304	2.1
163.11235	1.4
163.14929	0.8
165.09117	52.1
167.07002	0.7
167.10669	0.9
171.11681	0.9
175.10999	0.8
175.14920	1.0
177.05536	1.0
177.12732	1.1
177.16338	0.9
179.10701	1.3
179.14342	2.5
181.04962	0.8
189.12759	1.6
193.12190	0.8
193.15935	2.3
205.12279	1.1
207.13844	1.2
217.12280	1.3
221.15446	1.1
223.13452	0.8
228.90796	0.9
229.19560	0.9
263.23694	0.8
273.09772	0.9
275.20126	0.8
287.23242	0.7
297.27945	1.0
301.21628	0.9
304.23541	0.9
316.05530	0.7
319.22885	1.2
322.24716	0.9
331.08270	1.0
337.23764	0.8
357.98477	0.8
443.35236	2.1
461.36273	9.0
479.37378	14.9
480.37720	0.9
497.38397	100.0
498.38641	4.2
659.32104	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	659.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05059	0.3
55.01844	0.5
55.05480	1.2
56.96565	37.4
56.96964	1.2
57.03415	0.7
65.08514	0.3
67.05508	2.9
69.03397	0.4
69.07024	1.4
71.58971	0.6
71.95264	3.0
72.96011	1.5
74.97595	1.3
77.79437	0.4
79.05490	1.7
81.03381	1.0
81.07059	3.4
83.04945	0.5
83.08573	1.4
83.82741	0.3
84.95998	0.6
91.05446	1.6
92.98609	0.7
93.07050	2.1
95.04934	1.6
95.08547	1.1
97.06493	0.6
97.96844	1.1
97.99186	0.4
98.97523	0.5
103.00662	0.4
105.00092	0.4
105.07050	1.8
107.04920	0.6
107.07169	0.3
107.08616	1.6
109.06494	0.5
109.10115	0.8
110.97601	1.1
111.04414	0.4
111.08035	0.4
111.17305	0.3
115.00650	0.7
115.97804	0.4
116.98585	1.2
117.06998	0.5
119.08637	1.6
121.10114	0.8
123.01141	1.2
123.08026	0.5
127.00642	0.4
128.98621	1.9
129.02263	0.4
129.06940	0.4
129.99350	0.4
131.08539	0.9
133.01685	1.3
133.10110	0.8
135.08061	0.6
135.11717	0.5
137.02745	1.1
137.09616	0.4
139.00607	0.6
141.02187	1.1
145.01700	0.7
145.10086	0.9
146.99651	4.0
147.03314	0.7
147.04318	0.4
147.11650	0.4
149.01213	0.5
149.09564	0.9
151.02786	0.4
151.10977	0.5
153.02228	1.0
155.03778	2.6
157.01700	1.4
157.10216	0.4
158.11740	0.4
159.03294	1.3
161.01181	0.4
161.04848	0.9
163.11099	0.5
165.00716	1.2
165.02162	0.4
165.12738	0.3
167.02539	0.3
167.03764	1.9
169.01692	1.3
169.05243	0.6
170.01312	0.5
171.03278	4.8
173.04872	1.8
175.02744	1.0
177.04344	1.0
181.05336	1.1
183.03217	1.3
183.06897	0.8
185.04866	5.0
187.02753	1.5
187.06396	1.5
189.04364	7.0
191.05862	1.1
193.05377	0.7
194.04904	0.8
195.05362	0.6
195.06941	2.4
197.04851	1.1
197.08484	0.7
199.02715	0.4
199.06425	9.1
201.04314	1.3
203.05916	9.6
203.15346	1.6
205.07463	1.0
207.05347	0.9
207.06963	0.9
208.06487	0.7
209.04875	0.8
209.08531	0.8
211.02518	0.4
211.06389	4.7
213.07982	18.5
215.05957	0.9
215.09578	0.5
217.05650	0.7
217.07472	15.9
221.04868	0.4
221.06696	0.8
221.08501	1.4
222.08014	1.3
223.02742	0.6
223.06407	0.9
223.10114	0.8
223.13344	0.5
225.04482	0.6
225.07965	9.8
226.07465	0.8
227.05923	0.9
227.09505	3.0
229.07458	2.8
231.06953	2.2
231.09033	26.0
233.08466	0.6
235.06422	0.4
235.08495	0.5
236.09602	2.7
237.04274	1.0
237.07974	4.1
239.09528	7.4
240.09123	1.4
241.11201	2.0
243.09062	7.2
243.12630	0.5
245.10602	4.4
248.09584	1.2
249.07928	5.7
250.10976	0.7
251.05701	0.6
251.09503	16.2
253.07463	0.7
253.11159	0.6
254.10597	2.5
255.09027	24.0
256.09265	0.6
257.10614	5.2
259.12173	1.6
261.22018	0.6
262.08752	0.6
262.11212	0.8
263.09488	0.7
267.09033	30.9
268.09430	0.7
268.12186	0.8
269.10602	100.0
270.10971	2.2
271.08530	0.5
273.10077	17.4
274.10767	0.7
275.20007	3.2
278.10645	5.5
279.08951	1.2
280.09753	1.5
280.12387	0.4
281.10672	0.7
283.12180	0.6
285.10089	45.0
286.10544	0.9
287.11649	46.9
288.11969	1.1
289.14905	0.4
290.10648	5.1
292.12186	20.8
293.12518	0.6
293.21048	0.8
295.22653	0.6
296.11722	2.2
297.10086	1.3
299.11609	0.4
303.11093	5.5
307.15854	1.2
308.11667	7.6
310.09958	0.5
310.13290	4.9
313.14725	1.0
331.15814	9.8
333.14923	1.3
349.16840	28.4
349.23706	1.2
350.17200	1.0
367.17917	82.7
368.18164	2.2
372.18378	4.3
385.18979	11.0
386.19016	0.5
390.19516	26.0
391.19974	1.6
405.29776	0.5
408.20575	1.0
431.22247	0.8
463.23654	3.4
469.81610	0.4
517.52472	0.4
543.29730	0.5
543.37305	0.4
547.29541	1.5
561.30933	17.6
561.37811	0.9
562.31189	1.2
577.30518	0.9
641.35828	1.8
659.38251	66.2
660.38574	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	659.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50471	0.4
55.05490	1.0
56.96568	35.0
57.03434	0.5
67.05481	1.2
69.07043	1.3
69.47880	3.0
71.09498	0.5
71.95276	2.6
72.96011	2.0
74.97604	1.5
79.05463	1.5
81.03387	1.2
81.07043	3.3
83.08603	0.8
84.96021	0.7
91.05447	1.7
91.34085	0.4
92.98635	0.6
93.07007	1.7
95.04951	1.1
95.08586	1.0
97.02856	0.6
97.06533	0.6
97.10119	0.5
97.96826	1.1
98.97571	0.6
99.74486	0.4
103.29680	0.5
105.06994	1.2
106.33295	0.4
107.08566	1.0
107.80723	0.4
109.06537	0.5
109.10114	0.7
110.97556	0.9
115.00726	0.8
116.98609	0.7
119.08604	1.0
121.10096	0.9
123.01160	1.0
125.09573	0.8
128.98602	2.7
131.08562	0.7
133.01691	0.6
133.10143	1.0
137.02705	1.2
141.02209	1.3
145.10060	0.7
145.17267	0.4
146.99638	4.0
147.03276	0.6
149.09595	0.7
152.24835	0.6
153.02180	1.1
155.03789	2.3
157.01707	1.1
159.03230	1.3
159.11714	0.5
161.04829	0.8
163.11200	0.8
165.00766	0.6
167.03737	1.4
169.01697	1.6
169.05385	0.7
171.03302	5.8
173.04848	1.3
175.02797	0.7
177.04381	0.8
181.05380	0.9
183.03290	1.1
185.04883	4.7
187.02747	1.2
187.06424	1.5
189.04344	6.6
191.05870	1.1
191.11542	0.5
193.05325	0.7
194.04883	0.6
195.06905	2.6
197.04845	1.1
199.06430	8.1
201.04346	0.7
203.05933	8.8
203.15256	2.1
205.07457	1.0
207.05316	1.0
207.07054	1.1
207.08824	0.6
209.04916	0.8
211.06442	3.7
211.10027	0.6
213.07983	16.2
215.05865	1.2
215.09467	0.8
217.05588	0.6
217.07484	12.9
221.04913	0.5
221.06734	0.7
221.08603	1.1
222.08104	1.0
223.06390	0.5
223.10194	0.9
225.04420	0.5
225.08008	8.3
226.05215	0.5
226.07457	0.8
227.06087	1.0
227.09584	2.8
229.07465	2.6
231.07051	1.4
231.09045	24.9
232.09380	0.6
233.08510	0.7
235.06322	0.8
236.09575	1.9
237.07982	4.1
237.10011	0.6
239.09534	7.6
240.09117	0.7
241.11232	1.3
243.09053	8.1
245.10707	3.9
248.09586	0.9
249.08023	4.9
251.09531	14.5
253.07402	0.5
254.10674	2.4
255.09061	22.0
256.09238	0.6
257.10593	5.9
259.12183	1.8
261.22079	0.5
263.09354	1.0
266.10666	0.7
267.09048	32.5
268.09439	1.2
269.10620	100.0
270.10883	1.9
273.10098	16.1
275.20111	2.2
278.10641	4.1
279.09021	1.7
280.09683	0.9
281.10626	1.1
283.12210	0.5
285.10107	46.7
286.10446	1.2
287.11670	47.5
288.11890	0.9
289.15018	0.6
290.10623	5.0
292.12198	16.7
293.21097	0.9
296.11618	0.9
297.10092	0.9
298.10809	0.7
303.11206	4.3
307.15866	1.4
308.11716	6.5
310.13229	4.3
313.14780	0.9
330.40485	0.5
331.15845	9.9
333.14960	0.7
349.16861	27.6
350.17340	0.9
367.17941	83.5
368.18381	2.5
372.18390	3.0
385.19000	14.8
390.19543	22.1
391.19687	1.1
408.20599	1.4
463.23840	4.1
463.29938	0.8
479.22958	0.8
484.14301	0.5
547.29285	1.3
561.30981	18.5
561.37689	0.8
562.31274	1.1
577.30457	1.1
641.37000	2.0
659.38281	64.0
660.38629	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	659.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.4
56.96564	16.0
65.75610	0.3
67.05475	0.8
70.41683	0.6
71.95262	1.7
72.95995	0.7
74.97564	1.0
79.05475	0.6
81.03407	0.4
81.07016	0.8
83.08615	0.3
84.95988	1.2
91.05426	0.5
92.98625	0.5
93.07007	0.4
95.04931	0.5
95.08578	0.3
97.96780	2.9
97.99139	0.3
98.20825	0.2
98.97565	1.3
100.32442	0.3
102.15296	0.3
105.06993	0.5
107.08567	0.4
109.10105	0.3
110.97514	1.6
115.97842	2.1
116.98621	0.7
121.10136	0.3
128.98607	3.1
129.99348	0.3
131.00099	0.4
133.10114	0.3
133.98837	0.9
134.99644	0.5
137.02737	0.4
139.00603	0.3
141.02159	0.3
141.99361	0.4
143.00142	0.4
145.01704	0.4
146.99655	3.7
148.00481	0.5
149.01213	0.6
152.00140	0.4
153.02174	0.3
155.00136	0.6
155.03714	0.6
157.00491	0.3
157.01682	0.5
159.03276	0.5
160.00461	1.6
161.01163	0.8
161.04877	0.4
165.00713	0.6
167.03792	0.6
167.97260	0.5
169.01630	0.8
170.01254	0.4
171.03258	1.7
173.01195	1.2
173.04871	0.6
174.01869	0.3
175.02736	0.5
178.01579	0.3
179.99361	0.3
181.01674	0.4
181.05322	0.4
183.03297	0.7
185.01219	1.1
185.04900	2.5
185.06514	0.5
185.98308	1.0
186.02080	0.6
187.02763	1.2
189.04306	1.9
190.05104	0.4
191.05983	0.5
195.06844	0.5
196.02660	0.3
197.04910	0.5
197.08432	0.4
198.05640	1.2
199.02794	2.0
199.06442	2.1
201.04428	1.2
202.01602	0.3
202.05043	0.7
203.02309	0.4
203.05887	4.6
205.07457	1.1
207.05380	0.3
208.06300	0.5
209.06842	0.3
211.06390	0.9
213.04433	1.3
213.07915	3.8
213.11490	0.3
215.05829	1.0
216.02997	1.0
216.06677	1.2
217.03874	1.3
217.07486	3.9
220.06242	0.4
221.06799	0.6
221.08667	0.6
222.04341	0.3
223.02774	1.1
223.06468	0.6
223.08336	0.9
223.10146	2.6
224.07274	0.6
225.04279	0.3
225.07948	1.5
226.05090	0.7
226.08789	0.5
227.05952	1.4
227.09554	0.8
229.07465	0.6
231.05302	0.6
231.07034	0.6
231.09021	5.3
232.09839	0.3
236.09555	0.3
237.04359	1.4
237.07947	0.6
238.05008	0.4
239.09561	5.8
241.03772	0.7
241.07257	1.0
241.11107	31.5
242.08240	3.6
242.11440	1.0
243.08983	1.2
243.14493	0.6
244.06325	0.4
244.09787	1.0
245.06924	1.0
245.10622	1.0
249.08011	0.6
249.10468	0.4
251.05869	0.5
251.09549	0.9
253.11174	1.9
255.05411	1.3
255.08952	1.8
257.10580	3.5
258.11334	0.3
259.12173	47.3
260.09305	2.9
260.12463	1.1
262.08801	0.4
262.11221	0.5
264.12723	4.7
265.10065	0.4
267.09055	2.8
269.07230	0.4
269.10599	5.6
270.11288	0.4
271.12195	1.7
273.10046	1.0
275.20190	0.3
277.21750	0.4
279.09021	2.9
279.11996	0.4
280.09729	3.3
280.12341	0.4
281.10483	0.8
281.94659	0.3
282.13766	4.3
285.10114	1.9
287.11649	2.7
289.14728	0.5
290.10818	0.4
292.12238	0.5
293.10355	0.4
297.10104	6.8
298.10880	6.0
299.11606	0.9
303.11316	0.4
305.15005	0.4
307.15826	2.2
312.08835	0.6
313.14673	0.4
315.11160	1.0
316.11911	3.2
320.11682	0.8
321.12512	0.8
325.16910	1.2
330.09857	0.7
330.17349	0.4
331.15738	10.6
332.15909	0.4
333.19232	0.6
337.16739	0.6
339.13672	0.4
349.16833	60.6
350.17291	1.7
351.20282	1.5
365.16422	0.3
367.17914	100.0
368.18311	2.9
372.18512	3.8
373.18942	0.3
385.18967	7.2
390.19519	24.3
391.19806	1.2
397.61554	0.3
408.20663	0.5
528.29578	0.3
543.36597	0.5
641.37195	0.8
659.38251	64.5
660.38678	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	659.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01869	5.0
55.05298	1.0
55.05514	10.7
57.03195	1.6
57.03444	21.8
57.07063	4.0
59.04971	1.2
61.02930	76.7
65.03937	3.1
67.05508	47.1
69.03080	1.6
69.03436	28.1
69.07069	13.9
70.06603	7.2
71.01347	4.1
71.04999	5.7
71.06931	1.6
71.08623	1.1
71.61048	1.3
73.02920	24.3
74.23737	1.0
75.04472	2.4
79.05496	28.5
81.03420	25.0
81.07060	48.5
83.01321	1.6
83.05002	6.1
83.08620	6.8
85.02908	94.6
85.06547	2.3
87.04459	3.5
88.07643	5.6
91.03958	58.2
91.05487	18.6
93.06470	1.6
93.07050	34.2
95.04984	8.7
95.08611	41.2
96.54868	1.0
97.02896	77.4
97.06523	3.5
97.10165	3.7
99.04458	14.7
99.08090	2.9
101.02381	10.6
102.09182	6.0
103.03947	13.7
105.07036	16.2
107.04950	3.2
107.08599	18.3
109.02883	12.9
109.06516	3.9
109.10167	21.2
111.04432	4.3
115.03942	6.5
117.05524	2.6
117.07021	8.0
119.08585	12.8
121.10143	19.0
123.04486	1.9
123.08040	1.9
123.11710	8.9
125.05986	1.1
125.09602	2.4
127.03918	38.6
129.05518	6.7
129.07039	1.9
131.08580	13.7
131.83151	0.9
133.10141	12.0
135.08073	2.3
135.11705	13.7
137.05911	1.3
137.09686	1.1
137.13257	2.7
139.11198	1.8
141.05434	1.1
143.06996	1.7
143.08557	2.2
145.04964	20.0
145.10124	9.7
147.04456	1.3
147.07922	1.1
147.11664	8.7
149.02347	10.3
149.09650	1.5
149.13298	7.5
150.02676	3.1
151.14781	1.1
157.10118	3.1
158.94986	1.1
159.06549	3.8
159.08018	1.0
159.11710	8.3
161.09616	1.1
161.13335	6.9
161.51054	1.1
163.06000	8.5
163.11212	2.4
163.14815	5.9
165.12766	1.8
171.06529	3.2
171.11688	3.4
173.09616	1.8
173.13249	7.5
175.14822	2.6
177.12801	2.1
177.16454	1.3
179.10692	1.0
183.06543	14.8
183.11734	1.3
185.13228	2.0
187.11307	1.4
187.14803	4.9
189.12801	1.3
191.14232	1.3
193.04970	12.9
194.05203	4.5
194.96985	0.9
199.14771	0.9
201.07626	9.6
201.16402	1.7
215.17889	1.3
217.15915	1.0
219.08556	1.3
221.15526	1.0
229.15956	1.1
237.07582	3.2
238.07878	1.2
243.21069	8.0
256.26321	8.2
257.19119	1.6
257.26682	7.9
259.20609	3.3
261.22144	22.1
265.17566	1.1
273.18408	1.1
273.22125	1.8
275.20151	2.8
277.21640	2.3
279.23254	1.3
291.19519	1.6
293.21213	1.3
301.21719	2.2
303.23239	2.8
315.23264	2.1
317.24777	2.5
327.23065	3.0
333.24344	1.7
335.25809	100.0
336.26175	1.6
341.24814	1.8
342.06906	1.2
344.08582	1.0
345.24347	1.6
349.23755	1.2
351.22949	2.1
353.26755	1.2
359.07721	1.8
359.25787	1.2
360.07822	1.4
363.25201	3.8
365.26810	1.6
369.19626	1.9
369.24030	4.7
375.25592	1.2
377.26987	3.1
385.09174	2.4
386.09476	3.9
387.25278	2.2
389.26578	1.2
405.26459	1.9
419.28098	1.6
429.11813	3.2
430.12167	5.0
443.27994	4.5
461.28952	4.4
468.13480	1.1
479.29968	10.8
497.31201	4.5
561.37799	1.7
593.64081	1.2
641.43903	2.1
659.36029	46.1
660.36377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13046	0.2
55.05479	0.2
56.96512	7.4
56.96823	0.6
69.07052	0.2
70.16024	0.3
70.16438	0.6
71.95262	0.8
72.95992	0.1
74.97578	0.4
76.23667	0.1
79.05427	0.4
81.07014	0.3
84.95993	0.3
91.05440	0.2
93.07022	0.2
95.04912	0.2
95.08564	0.1
97.96797	0.4
98.20759	0.2
98.97564	1.1
105.06941	0.2
110.97517	0.9
115.00624	0.3
116.58743	0.1
116.98642	0.9
118.35336	0.1
123.01132	0.3
127.00628	0.3
128.98616	2.6
131.00093	0.4
133.01686	0.4
134.99588	0.5
135.11684	0.2
137.02678	0.3
137.29478	0.1
140.00130	0.2
141.02200	0.2
143.00092	0.4
145.01659	0.5
146.99663	3.5
147.03221	0.6
149.01189	0.7
152.00038	0.2
153.02280	0.2
155.03699	0.5
157.01704	0.3
159.03267	0.4
161.01225	1.0
163.02747	0.3
165.00742	0.8
167.03752	0.3
168.00902	0.2
169.01688	0.4
169.05380	0.2
170.01161	0.5
171.03278	1.2
172.94727	0.2
173.04770	0.4
175.02740	0.5
177.04324	0.4
179.02171	0.5
179.03615	0.2
181.05312	0.4
183.03264	0.7
183.06859	0.4
184.00377	0.3
184.03999	0.2
185.01151	0.2
185.04855	2.1
186.01976	0.2
187.02814	0.7
187.06390	0.3
189.04314	1.4
191.05823	0.5
193.03789	0.4
193.05302	0.2
195.05193	0.4
195.06908	0.3
197.04808	0.6
197.08522	0.3
199.02724	0.3
199.06378	1.6
200.03564	0.2
201.04388	1.0
201.07986	0.8
202.01474	0.2
202.05093	0.4
203.05920	4.0
204.06305	0.2
205.03741	0.2
205.05608	0.2
205.07463	1.9
207.05191	0.3
208.06471	0.3
209.04829	0.3
209.06871	0.4
211.02727	0.2
211.06364	1.0
211.10020	0.2
212.03712	0.2
213.04317	0.3
213.07968	0.9
214.05106	0.2
215.05905	0.4
215.09566	0.4
217.07480	1.9
219.03117	0.2
219.07024	0.2
219.09004	0.4
221.06851	0.6
221.08673	0.2
222.08037	0.3
223.02806	1.1
223.06395	0.5
223.08488	2.0
224.03569	0.3
225.04298	0.5
225.08003	0.6
226.05093	0.6
226.07480	0.4
227.05905	0.6
227.09546	0.3
228.08904	0.3
229.07460	1.3
231.09012	0.7
237.04344	3.2
237.07880	0.9
238.05003	0.3
239.05917	0.2
239.09573	1.9
241.03845	0.2
241.07448	0.7
243.05319	0.3
243.09013	0.7
245.10628	0.3
247.08446	0.3
249.07982	0.3
251.05869	0.6
251.09462	0.2
252.06621	0.4
253.11070	0.5
255.05362	1.8
255.09012	2.4
255.12227	0.2
256.09641	0.2
257.10596	1.3
260.05856	0.2
261.10229	0.2
262.08737	0.2
263.09497	0.4
265.07498	0.4
267.09006	0.7
267.12561	0.2
269.06885	0.3
269.10605	0.4
271.12079	0.2
273.10059	1.3
275.09277	0.3
278.10501	0.3
279.08932	0.6
280.09851	1.4
281.10526	1.1
283.08517	0.3
285.10175	0.5
293.10596	1.1
293.13742	0.2
297.10101	0.4
298.10925	0.8
299.11649	1.2
303.11557	0.3
303.16116	0.2
305.17938	0.4
307.15823	0.4
311.08490	0.2
311.11667	1.0
313.14725	0.4
323.18866	0.5
325.16885	0.2
330.17337	0.2
331.15796	27.0
332.16150	1.0
347.15216	0.2
349.16858	100.0
350.17245	2.7
367.17938	28.2
368.18176	0.6
372.18478	5.1
373.18811	0.3
385.19379	0.2
390.19550	11.0
391.19797	0.5
593.10986	0.2
641.37268	0.7
659.38312	22.6
660.38666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89252	1.3
53.03941	2.3
55.01865	3.8
55.05517	21.0
57.03423	3.5
61.02920	2.9
65.36051	1.4
67.05166	1.7
67.05508	20.6
69.03424	3.4
69.07067	6.6
69.55991	12.2
71.04967	1.7
79.05495	19.1
81.03411	5.2
81.07063	18.8
83.04974	5.1
83.08631	12.5
85.02905	4.3
85.06534	2.3
91.05477	15.7
93.07040	15.7
95.04967	4.1
95.08592	6.2
97.02875	2.9
97.06524	2.0
97.10188	20.2
103.05463	7.2
103.99466	1.3
105.07021	12.3
107.04948	3.3
107.08593	11.3
109.02895	1.6
109.06554	3.8
109.10152	7.0
111.08108	3.3
115.05470	3.3
117.07024	25.1
119.08588	7.2
121.06492	2.6
121.10133	2.4
123.08083	1.8
123.11659	2.2
125.09640	19.2
129.06998	10.8
131.04921	2.6
131.08569	17.6
131.44452	1.5
133.06520	6.0
133.10123	3.3
135.08069	7.1
137.05907	1.5
141.07005	4.3
143.08525	6.7
145.06488	4.9
145.10139	6.0
147.04405	1.6
147.07986	2.9
147.11617	1.9
153.09073	2.3
155.08548	7.7
157.06482	3.4
157.10147	3.4
159.07996	2.3
159.11668	1.8
167.08578	2.2
169.10133	5.3
171.08041	1.8
171.11664	2.8
173.13258	1.5
179.08499	1.6
179.26085	1.3
181.10143	3.7
185.09662	2.1
187.14815	5.0
189.11203	10.2
195.11618	2.4
197.13335	7.2
203.38022	1.4
209.13374	1.3
213.12653	2.6
215.14316	22.7
227.12741	18.7
233.13203	1.6
239.14291	1.6
241.12314	1.6
245.13849	1.6
271.16959	1.6
308.22739	1.3
315.08716	1.6
339.23416	1.7
339.63263	1.4
349.21722	3.7
367.22739	10.8
372.22305	1.6
385.23624	6.1
403.24542	1.4
441.26370	45.1
442.26736	3.0
459.27423	100.0
460.27664	4.0
477.28491	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	657.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01875	0.3
55.05512	1.1
57.03431	0.4
57.07058	0.2
65.38476	0.2
67.05504	2.4
67.13168	0.1
69.03436	0.2
69.07066	1.0
69.39248	1.6
79.05495	2.4
80.21163	0.2
81.03422	0.4
81.07056	4.6
83.04977	0.3
83.08611	0.7
85.02906	0.3
85.28423	0.1
91.05475	1.3
93.07053	1.6
95.04972	0.7
95.08620	1.4
97.06509	0.5
97.10156	0.5
102.02105	0.2
105.07034	1.3
107.04929	0.6
107.08586	1.0
109.06509	1.5
109.10137	0.4
111.04482	0.3
111.08106	0.2
115.05427	0.2
117.07027	0.5
119.08589	1.5
121.06548	0.3
121.10158	0.8
123.08084	0.5
125.09641	0.3
129.07008	0.5
131.08594	0.8
133.10126	0.7
135.08073	0.4
135.11671	0.5
137.09636	0.2
143.08521	0.3
145.10141	0.9
147.08049	0.4
147.11687	0.5
149.09583	0.5
151.11255	0.2
157.10143	0.3
159.07996	0.3
159.11737	0.2
161.09671	0.2
163.11211	0.7
165.09027	0.2
165.12991	0.2
173.13316	0.2
175.11253	0.3
177.12691	0.2
187.11166	0.2
193.12233	0.2
219.09979	0.2
227.12836	0.4
228.08823	0.2
239.11275	0.2
249.11064	0.3
257.12433	0.5
267.10815	0.3
273.18518	1.2
275.19958	1.5
276.05322	0.2
279.12027	0.4
285.11703	0.2
291.19525	3.2
293.21118	0.3
313.16486	0.3
315.08798	0.2
331.18677	2.4
347.14554	0.2
347.18274	0.7
347.22043	0.3
349.19110	3.3
349.23877	0.7
350.19492	0.3
365.23401	0.5
367.19699	0.4
372.20200	0.6
390.21118	0.2
403.21088	0.5
417.22681	0.2
426.23779	0.2
459.27243	0.6
473.28857	0.4
541.31628	0.2
549.90820	0.2
559.36993	0.2
587.31647	0.4
616.08606	0.2
621.41272	0.2
639.43512	0.9
657.39709	100.0
658.40009	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	656.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01862	0.7
56.05033	0.3
56.36182	0.2
57.03431	1.1
61.02934	1.9
69.03433	5.1
69.96407	1.3
70.06600	2.2
71.04990	0.6
72.08150	0.6
73.02908	1.1
74.00659	0.3
79.05514	0.3
81.03020	0.4
81.03433	2.7
81.07034	0.5
83.01348	0.3
83.04954	0.3
84.04502	2.4
85.02908	14.4
87.04462	0.6
88.38662	0.3
91.03941	0.7
93.07027	0.3
94.02901	0.3
97.02892	5.2
99.04453	1.1
104.66338	0.3
105.07046	0.4
109.02870	1.6
112.08725	0.6
114.10265	0.4
116.07113	0.3
119.08538	0.3
127.03911	2.5
130.04169	0.3
130.05032	1.8
131.04938	2.2
133.74933	0.3
135.11673	0.3
137.06006	0.5
137.09639	0.4
140.04930	0.7
145.04971	2.9
147.04391	0.4
147.05643	0.4
149.06018	0.4
159.04424	3.8
161.05980	0.5
163.03928	0.5
163.06004	0.3
168.04478	0.8
168.08052	0.4
176.03416	0.3
176.09648	0.4
177.05492	1.5
177.16585	0.3
181.08722	0.7
186.05557	1.4
187.03940	3.1
188.20743	0.3
190.09464	0.5
190.20674	0.3
195.05540	0.7
196.03992	2.4
196.05641	0.4
198.05537	0.9
199.03851	0.5
205.05006	2.6
209.08055	0.3
212.74498	0.2
214.02928	0.4
214.04987	7.0
215.03410	10.2
215.05772	4.0
217.05060	0.4
220.62048	0.6
223.05040	1.5
224.03470	6.3
224.11551	0.2
225.34853	0.3
233.04527	2.5
235.04938	0.3
241.06088	0.3
242.04500	10.9
243.02876	1.3
243.05200	6.4
247.44658	0.2
251.04512	3.0
252.02934	2.2
253.06107	0.8
253.62494	0.3
257.03174	0.2
259.04791	0.3
260.05551	0.8
261.03952	14.1
269.05597	4.6
270.03989	11.6
272.13303	1.7
279.04019	1.1
281.05585	0.7
288.05078	1.1
297.05075	29.3
298.05344	0.4
315.06119	100.0
316.06403	2.3
317.06229	0.3
319.04565	1.9
327.60446	0.3
331.08081	0.8
332.08505	1.3
333.06284	0.3
336.65530	3.1
337.15710	0.9
370.87689	0.3
373.10541	0.3
393.01035	0.6
394.01761	0.3
423.16415	0.5
459.10379	3.8
684.83301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01862	0.7
56.05033	0.3
56.36182	0.2
57.03431	1.1
61.02934	1.9
69.03433	5.1
69.96407	1.3
70.06600	2.2
71.04990	0.6
72.08150	0.6
73.02908	1.1
74.00659	0.3
79.05514	0.3
81.03020	0.4
81.03433	2.7
81.07034	0.5
83.01348	0.3
83.04954	0.3
84.04502	2.4
85.02908	14.4
87.04462	0.6
88.38662	0.3
91.03941	0.7
93.07027	0.3
94.02901	0.3
97.02892	5.2
99.04453	1.1
104.66338	0.3
105.07046	0.4
109.02870	1.6
112.08725	0.6
114.10265	0.4
116.07113	0.3
119.08538	0.3
127.03911	2.5
130.04169	0.3
130.05032	1.8
131.04938	2.2
133.74933	0.3
135.11673	0.3
137.06006	0.5
137.09639	0.4
140.04930	0.7
145.04971	2.9
147.04391	0.4
147.05643	0.4
149.06018	0.4
159.04424	3.8
161.05980	0.5
163.03928	0.5
163.06004	0.3
168.04478	0.8
168.08052	0.4
176.03416	0.3
176.09648	0.4
177.05492	1.5
177.16585	0.3
181.08722	0.7
186.05557	1.4
187.03940	3.1
188.20743	0.3
190.09464	0.5
190.20674	0.3
195.05540	0.7
196.03992	2.4
196.05641	0.4
198.05537	0.9
199.03851	0.5
205.05006	2.6
209.08055	0.3
212.74498	0.2
214.02928	0.4
214.04987	7.0
215.03410	10.2
215.05772	4.0
217.05060	0.4
220.62048	0.6
223.05040	1.5
224.03470	6.3
224.11551	0.2
225.34853	0.3
233.04527	2.5
235.04938	0.3
241.06088	0.3
242.04500	10.9
243.02876	1.3
243.05200	6.4
247.44658	0.2
251.04512	3.0
252.02934	2.2
253.06107	0.8
253.62494	0.3
257.03174	0.2
259.04791	0.3
260.05551	0.8
261.03952	14.1
269.05597	4.6
270.03989	11.6
272.13303	1.7
279.04019	1.1
281.05585	0.7
288.05078	1.1
297.05075	29.3
298.05344	0.4
315.06119	100.0
316.06403	2.3
317.06229	0.3
319.04565	1.9
327.60446	0.3
331.08081	0.8
332.08505	1.3
333.06284	0.3
336.65530	3.1
337.15710	0.9
370.87689	0.3
373.10541	0.3
393.01035	0.6
394.01761	0.3
423.16415	0.5
459.10379	3.8
684.83301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
56.96288	1.7
56.96566	28.5
58.42672	0.8
67.05495	3.3
69.03454	1.5
69.07076	1.0
69.45089	6.8
71.04926	0.7
71.95250	2.4
72.96043	1.2
74.97616	1.0
75.40854	0.7
78.57218	0.7
79.05477	2.6
80.11597	0.8
81.03432	4.3
81.07053	5.4
83.04973	1.3
83.08606	1.8
85.02889	1.1
91.05486	2.7
93.07040	2.5
95.04984	1.1
97.02863	1.5
97.10168	0.9
105.07063	4.2
107.08586	1.8
109.06494	0.9
109.10165	1.5
116.98648	1.2
119.08598	2.1
121.10139	1.0
128.98628	1.6
129.07098	0.9
133.01761	0.8
133.10146	1.6
134.99640	1.4
139.72363	0.9
141.02208	1.1
146.99672	2.8
149.01295	1.2
149.02368	3.6
155.03828	2.5
157.01759	1.5
159.03252	1.0
161.01248	0.9
165.00696	1.0
171.03310	2.9
173.04788	1.2
177.02460	0.8
183.03415	1.4
185.04922	2.6
187.02791	1.2
189.04346	4.3
191.05980	1.7
193.05125	4.6
193.12314	1.3
195.07011	0.9
197.04904	1.3
199.06284	3.9
201.04407	2.1
201.07922	1.1
203.05943	5.7
209.04955	1.7
211.06445	2.2
213.08099	1.8
215.05962	2.4
217.05598	1.0
217.07532	4.0
219.07101	1.5
221.04895	1.0
223.02890	1.4
223.06471	1.5
223.08665	1.0
227.05986	3.0
229.07465	3.6
237.04480	1.3
237.07777	5.5
237.09966	1.0
239.09634	1.7
240.35045	0.9
241.07608	1.1
243.09073	3.2
245.06952	1.5
247.08638	1.7
255.08920	4.2
257.10699	1.9
261.10165	2.2
269.10669	1.0
273.10245	2.4
285.10321	0.9
291.13199	0.9
329.14236	28.0
331.16006	1.0
347.15314	93.5
348.15842	2.5
349.16971	2.7
365.16385	100.0
366.16742	3.1
370.16870	10.1
383.17551	1.7
385.08881	1.3
388.17969	24.9
461.28967	1.9
473.14615	0.9
485.18930	1.2
497.18716	1.0
519.26440	1.0
557.33459	0.9
616.69666	0.8
621.15259	1.1
637.34399	2.7
655.35193	54.2
656.24408	1.7
656.35321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01874	0.5
55.05304	0.5
55.05515	5.4
55.50702	0.4
57.03443	4.0
57.07078	31.4
58.07414	0.5
61.02932	7.5
64.61954	0.4
64.70392	0.4
65.48036	0.4
67.05173	0.6
67.05508	10.9
69.03434	1.3
69.07069	6.9
69.89246	2.1
69.89671	0.8
70.06564	0.4
71.04994	0.7
71.08633	26.8
72.79810	0.4
73.02925	3.1
75.04475	1.7
79.05489	2.4
81.03411	1.1
81.07056	17.1
83.08618	9.2
84.21002	0.4
85.02904	9.6
85.06545	0.5
85.10182	15.0
89.06033	0.7
91.03960	9.5
91.05482	2.3
92.03793	0.4
93.07026	2.0
93.07580	0.5
95.04984	0.7
95.08611	20.5
97.02892	4.8
97.06590	0.7
97.10170	5.7
98.21437	0.7
99.04463	0.5
99.11707	0.8
101.89637	0.5
103.03876	0.5
103.07560	0.5
105.07058	1.3
107.04970	0.9
107.08601	1.2
109.02856	0.6
109.06521	1.4
109.10162	9.3
111.11716	1.0
116.93250	0.5
117.07014	1.3
119.08572	1.3
121.10136	0.8
123.07986	0.5
123.11716	4.9
125.09600	0.7
125.13272	0.8
127.03930	3.3
129.07045	0.6
131.08559	1.1
133.10097	0.7
137.13217	2.5
143.08496	0.5
145.04958	2.7
145.10156	1.2
147.11696	0.7
149.13284	0.5
151.14821	0.8
157.10147	0.8
163.06017	5.7
165.16391	0.5
171.11703	0.6
213.56638	0.5
221.22652	1.1
223.13274	0.5
237.11838	0.4
239.23714	25.5
257.24774	2.7
273.18433	1.3
275.20111	0.7
291.19537	1.4
298.27444	1.1
313.27371	100.0
314.27762	1.7
315.21924	0.5
331.28421	20.0
457.31442	0.6
475.32602	2.8
637.39374	0.5
655.41199	1.4
656.40857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1869
Annotation	Syringetin 3-rutinoside
Peak:m/z	Relative Intensity
52.06776	0.1
53.03935	0.2
55.01857	0.1
55.05499	0.2
56.28926	0.1
57.03187	0.1
57.03436	1.8
59.04970	0.2
61.02924	1.4
68.99782	0.3
69.03425	0.8
69.87321	0.8
71.01334	0.2
71.04992	10.9
73.02917	0.6
75.04466	0.5
78.34929	0.1
80.67799	0.1
81.03401	0.3
83.04964	0.5
85.02904	14.3
87.04470	0.3
91.03939	0.6
97.02880	1.1
98.21468	0.3
99.04427	0.1
105.03361	0.2
107.04969	0.2
109.02871	0.3
111.00806	0.3
111.04462	0.6
120.02085	0.2
121.02884	0.6
127.03903	0.5
129.05479	3.1
133.02808	0.3
135.04427	0.1
137.02328	0.6
139.02913	0.2
139.03902	2.6
145.04945	0.4
147.06474	1.0
149.02357	0.2
150.03096	0.4
151.03943	0.2
153.01830	4.8
153.05452	3.5
154.06265	0.8
163.03914	0.3
165.01820	2.1
166.02654	0.2
167.07048	0.2
169.33754	0.1
178.02534	0.2
179.03278	0.1
181.05002	1.3
183.02907	0.8
185.05937	0.3
191.20409	0.1
194.02138	0.2
201.05502	0.2
207.02960	0.3
207.06464	0.8
213.05473	0.5
216.04233	0.3
217.04979	0.1
227.03389	0.2
229.04976	0.8
230.05748	0.4
231.06442	0.6
233.04478	0.2
241.04942	0.5
243.02831	0.3
243.06482	0.1
244.03630	0.9
245.04474	0.2
247.02322	0.1
255.02936	0.6
257.04486	0.8
258.05243	4.5
259.05972	1.7
261.04016	0.3
269.04434	1.2
271.06073	0.2
272.03146	0.4
273.03912	0.3
282.99649	0.1
283.02417	0.6
284.03146	0.5
285.03903	1.2
286.01498	0.2
286.04700	3.5
287.05499	7.1
288.05792	0.3
289.03372	0.5
291.05371	0.1
291.08575	1.7
297.03879	0.2
300.02707	0.3
301.03345	0.2
302.04114	0.4
303.04956	2.0
304.05585	0.2
313.03555	0.3
314.04144	0.7
315.04959	2.5
316.05814	0.2
317.02853	0.4
318.07245	0.6
326.35413	0.1
331.04483	4.6
332.05231	2.2
347.07599	100.0
348.07968	2.6
389.08792	0.2
509.12866	0.2
634.62323	0.1
649.44586	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	654.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01883	6.8
55.05515	17.8
55.82288	1.3
56.05844	1.2
57.03441	2.7
57.07078	2.3
67.05505	22.9
69.03439	3.2
69.07066	9.1
70.20879	2.7
70.21293	3.5
71.05000	2.5
71.08639	2.4
79.05492	19.6
79.65372	1.1
80.05838	1.6
81.03421	4.8
81.07056	31.8
81.49430	1.3
83.04987	5.7
83.08624	14.5
85.02918	1.4
85.06552	2.1
91.05485	12.9
93.07047	13.7
95.04364	2.2
95.04973	40.7
95.08624	9.1
97.06542	2.8
97.10176	19.0
99.08099	1.9
105.07040	10.6
107.04984	8.7
107.08602	12.9
109.06538	4.9
109.10172	4.9
111.04452	4.1
111.08096	4.6
117.07027	6.2
119.08591	10.5
121.06520	5.5
121.10149	7.1
123.08096	7.3
125.09643	12.7
129.06984	1.5
131.08549	7.5
133.10141	5.3
135.08066	4.7
135.11742	4.7
137.09648	3.0
138.32451	1.2
139.11186	1.9
143.08589	2.8
145.10159	8.7
146.10498	1.4
147.08046	6.0
147.11696	3.0
149.09612	7.6
151.11223	1.5
153.09125	8.7
153.12723	1.2
155.08551	1.5
157.10123	2.6
159.08102	1.3
159.11705	4.2
161.09634	5.0
161.10913	1.3
163.11203	15.1
165.09119	1.3
165.12799	3.6
169.10089	1.8
171.10175	1.4
171.11671	1.2
173.09587	3.5
173.13257	1.9
175.11157	1.5
177.12776	2.5
178.15924	2.6
181.12296	2.3
187.11273	1.8
189.05608	1.2
189.11244	12.0
189.12781	2.1
191.10680	3.4
193.12285	2.9
197.13344	1.3
205.12164	2.1
223.13339	13.2
227.12827	4.7
247.20619	1.1
249.14839	1.3
255.17439	1.7
257.18964	1.5
273.18530	18.4
275.20059	19.2
276.13693	2.1
289.18033	1.5
291.19550	37.9
292.20047	1.3
293.21115	100.0
294.21506	1.7
309.20718	6.0
311.22131	3.5
320.16089	3.6
372.52859	1.2
560.68781	1.3
565.38831	2.1
578.26501	1.2
583.39923	4.2
601.40814	2.6
636.40533	2.5
654.41144	6.1
655.37811	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.166
Annotation	isorhamnetin 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
51.55595	0.3
53.03936	0.4
55.01857	0.4
55.05501	1.1
57.03451	0.7
57.95696	0.3
65.03934	0.6
67.05505	2.4
69.03437	1.3
69.07056	1.7
70.06583	0.8
70.76473	0.7
70.76837	0.8
79.05486	1.2
81.03416	2.9
81.07057	2.6
83.04982	0.5
83.08638	0.4
85.02892	2.1
85.06554	0.4
89.03922	1.8
91.05480	2.9
93.07059	1.0
95.04963	1.0
95.08597	1.5
97.02883	0.8
97.06460	0.5
97.38047	0.3
99.04401	0.5
105.07028	1.5
107.04964	1.0
107.08569	1.2
109.02880	1.0
109.10166	1.7
110.03652	0.6
111.11787	0.4
117.03383	5.8
119.04940	3.4
119.08537	0.6
121.02905	0.5
121.06491	0.6
121.10163	0.9
123.04420	0.4
123.11739	0.8
127.03926	1.1
131.08511	0.8
133.10127	0.7
134.03638	0.5
135.04399	1.3
137.02338	3.0
137.06050	0.9
137.13257	0.5
145.02853	13.8
145.10123	0.9
147.03255	0.6
147.04414	11.9
147.08105	0.4
149.05986	2.6
150.03157	0.8
151.03894	0.9
152.04630	0.4
153.01840	2.5
163.03931	4.3
165.09152	0.9
167.03432	0.7
171.02928	0.4
177.05481	37.6
178.05902	0.5
186.05511	0.8
195.06483	0.5
204.04178	1.0
205.04836	0.5
207.06425	0.6
209.11696	0.5
211.13284	0.5
215.03307	0.4
223.09602	0.4
228.04123	2.0
229.05077	1.9
229.14272	0.4
245.04520	1.3
245.95766	0.4
256.03665	0.8
257.04489	1.8
258.05258	0.6
259.05832	0.4
261.04007	1.2
267.16019	0.5
273.03955	1.7
274.04752	4.3
277.37613	0.3
285.04010	1.0
286.04678	0.6
287.05655	0.9
287.37555	0.4
289.03445	1.3
301.03464	10.2
302.04227	39.0
303.04742	1.1
315.05063	1.2
316.05768	2.6
317.03348	3.7
317.06564	100.0
318.06927	2.0
321.09579	2.1
325.53162	0.4
331.04477	1.4
331.08087	8.1
332.05301	10.0
339.10849	1.3
347.07626	39.2
348.07761	0.4
388.20969	0.4
473.93463	0.4
493.31558	1.6
580.31799	0.4
637.31403	0.5
655.16711	0.6
655.40070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81758	0.5
53.03942	2.4
55.01874	6.1
55.05513	22.9
57.03428	1.6
57.07076	1.0
59.05010	0.7
65.03945	1.0
67.05507	18.2
69.03422	2.4
69.07065	7.9
70.66060	2.0
71.04980	1.6
71.08624	1.8
72.46149	0.6
78.31993	0.5
79.05495	16.5
81.03419	6.4
81.07062	31.4
82.07385	0.9
83.04982	5.7
83.08138	0.9
83.08622	15.2
84.08939	0.8
85.02902	1.8
85.06545	2.3
85.10187	1.0
91.04957	1.0
91.05483	11.5
93.07050	15.0
95.04974	41.9
95.08615	11.0
96.05334	0.7
97.06520	3.1
97.10177	15.8
99.04472	1.0
99.08068	1.9
104.08508	0.5
105.07037	9.4
105.23330	0.5
107.04962	8.8
107.08595	11.8
109.06533	7.1
109.10159	5.1
111.04432	5.4
111.08093	7.0
113.09662	0.8
117.07018	6.2
119.08584	9.4
121.06519	4.2
121.10152	7.3
123.04459	1.0
123.08056	7.0
123.11713	1.0
125.09641	11.9
128.06207	0.8
129.07025	2.5
131.08572	6.9
133.06470	1.2
133.10139	4.8
133.49234	0.6
133.90565	0.6
135.08075	4.2
135.11696	4.7
137.09590	2.1
139.11176	0.6
141.06972	1.1
142.07712	0.6
143.08560	2.5
143.10556	0.7
145.06456	1.2
145.10135	10.1
147.08063	6.0
147.11710	3.3
149.09612	8.7
149.13194	0.7
151.11203	1.9
153.09106	9.7
153.12756	1.7
155.08549	1.1
155.10704	0.7
157.10138	2.2
159.08025	1.2
159.11726	3.0
161.09621	4.5
161.13310	1.2
163.11191	17.0
165.09105	1.0
165.12776	2.5
167.10677	0.9
169.10109	1.0
171.10272	1.3
171.11708	1.6
173.09666	2.6
173.11786	0.7
173.13237	1.6
175.11201	2.4
175.14717	0.8
177.12733	3.3
178.16006	0.7
181.12248	2.8
185.13269	0.7
187.11142	1.3
187.14799	0.7
189.11232	13.7
189.12793	0.8
191.10707	2.8
191.14256	1.0
193.12247	2.2
195.11670	0.8
195.13756	0.7
205.12259	2.7
209.11778	1.3
211.13202	0.8
213.16397	0.8
215.25119	0.6
223.13300	13.2
227.12714	3.4
227.17844	0.9
229.19478	1.0
245.19043	1.5
247.20631	1.7
255.17493	2.2
257.19003	1.5
263.19934	0.6
268.61255	0.6
273.15491	0.9
273.18488	16.3
275.20096	15.6
276.13678	1.0
289.18045	1.2
291.19553	35.4
292.19958	1.9
293.21118	100.0
294.21487	2.5
309.20642	5.7
311.22162	4.2
320.16238	1.1
443.28024	0.6
497.32367	0.6
547.37689	1.8
565.38733	2.4
583.40088	4.8
601.41241	2.7
654.40405	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2082
Annotation	Nevadensin 7-rutinoside
Peak:m/z	Relative Intensity
50.66407	0.3
55.05499	0.6
57.03426	1.3
61.02919	0.6
66.42123	0.3
67.05492	1.0
69.03423	1.2
69.07063	0.9
70.06584	0.6
71.05000	7.3
71.32220	0.7
75.04466	0.3
79.05482	0.8
81.03416	1.1
81.07055	0.7
83.05000	0.8
83.08647	0.3
85.02429	0.6
85.02914	10.8
91.05491	0.7
93.07055	0.7
95.04982	0.6
95.08620	0.9
97.02873	1.1
99.04454	0.4
105.07003	0.6
107.04947	0.4
107.08590	0.7
109.10169	0.8
111.04469	0.6
113.09724	0.3
119.04908	0.4
119.08580	0.7
121.06531	0.3
121.10155	0.6
123.04427	0.3
127.03933	0.9
129.05508	2.0
131.04918	0.5
133.10158	0.4
135.08052	0.5
135.11688	0.3
137.05962	0.6
145.04993	0.7
146.03674	0.5
147.04436	0.6
147.06584	0.5
151.03946	0.7
151.07552	0.6
153.05492	2.1
161.05981	0.5
161.09543	0.3
163.03880	0.4
165.05479	0.9
167.03427	1.2
167.07050	0.6
173.52899	0.3
177.05504	0.7
179.03389	1.0
190.18552	0.3
191.07013	0.6
207.06595	0.4
208.03682	0.3
238.73322	0.3
263.58228	0.4
283.05978	0.8
284.06860	0.6
285.07516	0.7
286.04739	0.9
287.05487	0.3
299.05545	0.4
300.06345	0.3
301.03918	0.2
301.07053	5.8
311.05524	0.5
312.06305	1.3
313.07062	1.9
314.07874	0.6
315.05005	0.9
316.05716	0.6
316.09186	0.4
329.06586	15.1
330.07300	2.4
332.24658	0.3
345.09711	100.0
346.09915	1.5
376.18542	0.3
379.33252	0.3
491.33533	0.6
507.14822	0.4
653.39630	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01862	3.5
55.05513	17.4
57.03441	2.4
57.07056	2.1
65.03924	1.9
67.05505	22.4
69.03417	2.1
69.07076	10.3
70.78574	3.8
71.04993	6.7
71.05312	1.1
79.05492	16.9
81.03413	5.2
81.07062	23.7
82.07372	1.4
83.04987	5.9
83.08621	16.4
85.06532	1.8
91.05482	18.1
93.07047	21.1
95.04967	16.4
95.08616	15.6
97.02904	1.3
97.06528	5.9
97.10175	2.7
99.08085	1.3
103.49757	1.1
105.07043	19.3
107.04963	9.1
107.08599	13.0
109.06529	4.5
109.10159	8.6
111.08064	3.0
115.60204	1.1
117.07012	8.4
119.08593	18.2
120.08967	1.3
121.06542	3.2
121.10125	10.2
123.08084	3.9
123.11726	2.6
125.09630	5.2
129.07024	5.0
131.08563	9.9
133.10144	17.8
135.08054	4.4
135.11670	5.4
137.09607	3.5
139.11140	1.4
143.08569	3.8
145.10143	13.2
146.20387	1.2
147.08054	1.9
147.11731	8.3
149.09628	15.9
151.11156	3.5
153.09096	1.4
155.08531	2.0
157.10152	4.3
159.11681	8.1
161.13246	2.6
163.11194	18.5
165.12756	3.4
169.10092	1.6
171.11751	2.1
173.09549	2.7
173.13242	5.0
175.11186	3.7
177.12773	2.9
180.44861	1.2
181.12270	1.4
183.11688	3.7
187.11169	1.6
189.11238	3.7
195.13893	2.4
197.13187	2.6
201.52222	1.1
223.13283	11.8
227.16464	2.2
229.19595	3.3
239.18059	5.7
241.90471	1.2
247.20534	1.9
249.14864	1.6
257.19016	9.9
273.18649	1.7
275.20074	100.0
275.58893	1.4
276.20398	3.4
291.19601	2.3
293.21133	45.7
295.03400	1.3
295.22510	1.4
303.99060	1.3
307.22632	5.4
341.24811	2.4
451.31888	2.6
469.33328	4.2
481.57690	1.3
487.34381	6.6
493.56348	1.4
535.85022	1.6
567.39801	1.4
599.42206	2.5
652.42743	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	653.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
53.83002	0.2
55.01886	0.1
55.05510	0.6
61.02927	0.2
65.03932	1.0
67.05507	1.5
69.03431	1.5
69.07062	0.7
71.04978	0.3
71.59887	0.2
79.05495	1.2
81.03419	4.6
81.07068	1.8
82.07418	0.2
83.04997	0.3
83.08618	0.5
85.02914	1.3
85.06554	0.2
88.42411	0.1
91.05482	10.5
93.07073	1.1
95.04969	0.7
95.08611	1.2
97.02892	0.6
97.06537	0.2
97.10149	0.2
99.04454	0.4
99.08125	0.2
105.07023	0.7
107.04970	0.2
107.08595	0.6
109.02876	1.8
109.06518	0.7
109.10168	0.7
110.10565	0.2
111.04460	0.2
111.08076	0.3
117.07007	0.2
119.04945	24.6
119.08585	0.7
120.05226	0.2
121.06528	0.2
121.10141	0.6
122.10482	0.2
123.04470	0.2
123.08113	0.3
123.11650	0.2
127.03912	0.8
131.04950	0.2
131.08578	0.5
133.10158	0.4
135.08080	0.2
135.11708	0.3
137.05963	0.3
143.08522	0.3
145.06465	0.2
145.10132	0.3
147.04410	100.0
147.11697	0.6
148.04753	1.1
149.09624	0.3
151.03911	0.6
151.07588	0.2
157.10150	0.2
159.11659	0.3
161.09650	0.2
163.11198	0.5
165.05482	2.6
165.09193	0.2
167.03447	0.5
167.07037	0.3
171.11635	0.2
173.09647	0.2
173.11884	0.2
173.13281	0.3
175.07478	0.2
175.11198	0.1
177.05435	0.3
177.12856	0.2
183.11746	0.2
191.07059	0.3
203.07013	0.3
209.11717	0.2
225.12764	0.1
229.14317	0.3
231.06532	1.3
259.06009	4.9
259.08710	0.2
271.06012	0.2
275.20044	1.7
276.20380	1.2
283.15411	0.2
285.07578	0.2
286.04752	0.3
287.05493	6.4
288.05762	0.2
291.08636	4.6
291.19519	0.3
293.21109	0.9
294.21408	0.6
301.07104	1.1
302.07822	0.6
309.09717	1.8
315.04984	18.7
316.05377	0.4
329.06534	1.4
330.07336	26.1
331.07709	0.6
344.37885	0.2
345.09683	87.8
346.09967	1.3
359.96902	0.2
387.10812	0.2
401.23206	0.5
402.23599	0.5
419.24109	0.4
420.24957	0.3
437.25339	0.7
438.25916	0.6
455.26019	0.2
507.14838	0.6
653.39478	1.1
669.88995	0.2
675.32715	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	652.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01885	9.1
55.05517	22.4
56.04645	1.0
57.03439	5.6
57.07078	6.2
65.03928	1.4
66.55569	1.0
67.05509	35.8
69.03422	5.1
69.07076	32.1
69.58622	5.2
69.59031	3.0
71.05000	10.8
71.08620	3.6
72.35146	1.0
73.02930	1.3
79.05060	2.0
79.05502	41.2
80.05797	1.2
81.03436	6.3
81.07061	58.5
81.63813	0.9
82.07397	1.5
83.04990	8.7
83.08620	12.7
85.02922	1.1
85.06524	3.2
85.10168	2.0
87.04483	1.2
91.05487	26.4
93.07047	29.6
95.04379	1.2
95.04975	19.1
95.08620	18.7
97.02892	0.9
97.06541	56.5
97.10181	14.6
99.04407	1.4
99.08086	3.1
103.05466	1.8
105.04485	1.3
105.07040	21.0
107.04971	11.2
107.08594	20.6
109.06526	13.6
109.10168	9.8
110.10539	1.2
111.04446	5.0
111.08078	5.9
115.05443	2.6
115.07589	12.4
117.07027	18.1
118.07336	1.0
119.08589	23.0
121.06523	9.0
121.10152	11.3
123.08104	8.2
123.11723	2.5
125.05980	1.7
125.09647	12.1
128.06238	2.6
129.07001	8.4
131.08569	16.4
132.05800	1.3
133.06477	4.4
133.10133	12.0
135.08070	11.2
135.11687	6.0
137.09618	3.5
141.06979	1.3
143.08580	6.2
145.06468	2.6
145.10135	17.4
147.08080	11.8
147.11671	4.4
149.09624	8.8
149.13231	2.9
151.11252	2.2
153.09113	4.1
153.12756	2.2
155.08572	3.2
157.06435	1.1
157.10178	7.8
159.08099	2.4
159.11699	5.6
161.05989	1.4
161.09650	9.4
161.13242	1.4
163.07568	1.2
163.11197	10.9
165.09102	5.0
167.08696	1.2
171.08157	1.3
171.11713	4.7
173.05948	2.2
173.09621	3.9
173.11755	1.3
173.13327	1.9
175.11200	4.2
176.97980	1.1
177.12762	4.7
181.10025	1.3
181.12231	2.6
183.11703	1.5
185.09604	1.3
185.13290	2.5
187.11197	2.6
189.11255	13.3
189.12744	2.1
191.10666	5.4
193.12192	3.0
194.12514	1.2
195.11867	2.0
195.13681	1.9
199.14833	2.5
201.12662	1.1
203.14226	1.6
205.12085	1.4
209.11691	2.4
217.15907	2.9
221.15390	1.3
223.11349	1.4
223.13188	5.7
227.12787	4.7
227.18004	2.4
233.15395	2.8
237.16487	2.5
245.19046	4.4
249.14873	4.4
255.17496	6.6
263.20105	2.5
273.18527	40.2
275.19949	3.7
289.17880	4.8
291.19568	100.0
292.19873	3.3
293.21112	2.5
307.19009	2.3
309.20587	4.6
313.27451	1.3
351.23511	1.4
396.18085	1.7
414.19220	1.5
467.31677	2.6
485.32394	2.6
563.37177	1.4
581.38153	2.3
599.39240	3.1
652.41760	15.3
653.40851	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	652.442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.6
51.93034	1.3
53.03946	3.7
55.01871	10.8
55.05512	25.5
56.97208	1.2
57.03432	5.8
57.07064	4.5
57.96153	1.3
58.23061	1.1
65.03938	1.9
67.05504	36.5
69.03432	4.8
69.07069	26.2
69.97556	6.2
71.04997	9.6
71.08635	2.7
73.02921	1.9
79.05058	2.8
79.05497	42.8
81.03436	8.7
81.07057	60.1
83.04984	7.4
83.08632	12.0
85.02911	2.3
85.06541	3.8
91.05474	27.3
91.06003	1.9
93.07042	27.3
94.27755	1.2
95.04967	20.2
95.08608	19.6
97.06535	68.5
97.10172	17.2
99.04474	1.3
99.08112	4.5
105.07034	18.8
107.04976	11.1
107.08594	20.3
109.06523	13.8
109.10143	11.6
111.04452	3.9
111.08076	6.5
115.05441	2.8
115.07574	12.8
117.07000	16.3
119.04933	1.2
119.08597	22.8
119.20724	1.1
121.06532	7.0
121.10142	11.7
123.08067	9.9
123.11727	2.4
125.09648	14.7
128.06226	3.3
129.07005	7.8
130.07774	1.4
131.04973	1.9
131.08586	16.0
133.06509	4.8
133.10149	12.3
135.08063	9.4
135.11656	7.8
137.09639	3.7
141.06999	1.9
142.07794	2.1
143.08580	7.6
145.06517	3.9
145.10118	16.6
147.08035	12.9
147.11697	3.9
149.09590	9.8
149.13200	3.2
151.11215	1.7
153.09123	3.3
153.12732	2.3
154.07567	1.6
155.08534	3.2
157.06476	1.4
157.10126	7.6
159.08070	4.3
159.11731	8.6
161.09665	8.9
163.11221	9.8
165.09105	4.9
167.08476	1.6
169.10092	3.3
171.11725	4.4
173.09666	5.5
173.13217	2.2
175.11220	4.6
177.12752	6.8
179.10693	2.0
181.10094	2.2
181.12207	3.1
183.11694	1.8
185.09668	2.5
185.13329	2.8
187.11150	2.7
189.11247	12.5
189.12756	2.4
191.10669	5.1
193.12224	3.7
195.11653	1.3
195.13742	2.9
199.14757	2.5
209.11807	2.2
217.15900	3.4
223.13240	3.9
223.88464	1.6
227.12817	5.6
227.17967	3.8
231.13893	1.5
233.15413	1.5
237.16528	1.6
245.19069	6.1
249.14957	4.5
255.17567	6.5
263.20081	3.3
273.18509	43.6
275.19934	2.0
289.17981	5.1
291.19540	100.0
292.19910	3.5
293.20844	1.7
309.20578	5.2
396.18018	2.3
399.33701	1.6
407.93066	1.2
429.11182	1.3
467.31766	2.6
485.32544	3.6
581.38397	2.5
599.39221	2.5
652.41730	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	652.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.2
55.01876	6.5
55.05507	19.4
57.03441	6.6
59.22604	2.4
61.02918	4.3
65.03933	3.7
67.01862	8.6
67.05502	41.5
69.03429	15.5
69.07076	16.4
69.33916	6.8
69.34326	24.8
70.06566	2.8
71.04996	5.4
73.02916	3.7
79.05495	26.6
81.03419	55.7
81.07063	56.5
83.04987	11.5
83.08619	11.5
85.02913	14.8
85.06525	3.5
86.09702	4.2
91.05473	33.6
93.07056	24.7
95.04996	16.7
95.08624	28.9
97.02895	21.4
97.06545	10.5
97.10217	3.8
99.04454	9.8
99.08079	4.1
105.07048	26.5
107.04951	16.8
107.08578	19.9
109.02879	100.0
109.06513	20.4
109.10149	25.4
110.29381	2.7
111.04440	6.8
111.08147	4.7
117.07001	12.0
119.04935	6.7
119.08606	22.5
121.06513	11.1
121.10114	15.2
123.04435	5.4
123.08078	8.7
123.11672	3.3
125.02347	3.0
125.09619	6.8
127.03924	50.2
129.06955	4.6
131.04922	4.1
131.08580	16.3
133.06535	4.9
133.10121	19.4
135.08052	9.1
135.11696	8.0
137.06012	5.6
139.26900	3.2
141.06987	4.3
143.08522	3.8
145.06599	3.9
145.10129	15.4
147.04401	22.6
147.08069	5.0
147.11696	14.4
149.09645	12.8
149.13271	4.7
155.08553	4.4
157.10168	8.4
159.08101	4.7
159.11711	8.1
161.09654	5.5
163.11217	11.4
165.09222	6.0
165.12622	3.4
169.10139	2.7
171.08090	4.5
173.06032	3.4
173.09608	4.4
173.11787	7.1
173.13223	4.7
175.11162	5.4
175.14867	3.6
177.12723	4.0
189.09097	3.2
191.10707	6.7
209.11670	3.7
215.14340	3.8
229.14360	10.8
239.18071	3.3
247.20541	4.2
257.19028	7.3
273.18503	7.2
275.20068	96.9
283.15408	12.2
291.19565	24.1
293.21106	46.9
300.06152	3.6
305.21127	4.0
315.04938	3.5
330.07294	4.7
345.09793	17.6
355.22430	5.5
365.21152	10.1
383.22104	19.8
398.45020	2.9
401.23227	29.8
419.24438	11.1
437.25476	31.7
455.26364	8.8
470.72266	3.1
652.21881	8.4
652.37628	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
54.97400	2.5
55.01873	10.2
55.05515	26.0
56.29318	1.8
57.03452	3.0
57.07085	3.1
67.05508	33.4
69.03421	2.8
69.07066	19.9
69.26065	4.0
69.26472	19.7
71.04990	3.8
79.05061	2.8
79.05502	40.6
81.03407	8.6
81.07063	81.0
83.04984	10.8
83.08615	11.6
85.02885	3.0
85.06548	2.0
91.05486	28.2
93.07048	31.9
95.04977	16.3
95.08621	15.2
97.02888	3.8
97.06530	8.2
97.10181	20.1
98.21557	4.4
99.08103	2.8
105.07041	23.5
107.04961	10.1
107.08604	20.2
109.06544	14.8
109.10166	10.2
111.04484	11.3
111.08083	3.7
117.07026	15.3
119.08594	24.3
121.06536	10.4
121.10148	10.0
123.04428	2.3
123.07470	1.7
123.08097	18.5
125.09614	17.9
129.07014	7.4
131.08589	15.8
133.06519	5.4
133.10188	9.2
135.08063	13.3
135.11705	6.1
137.09622	5.5
141.07014	2.0
143.08571	7.2
145.06462	4.4
145.10130	16.8
147.08098	12.3
147.11703	2.2
149.09601	8.2
149.13211	2.4
153.09164	5.1
153.12741	4.8
155.08589	3.1
157.10188	6.9
159.08076	5.6
159.11673	3.8
161.09593	13.1
163.07555	3.1
163.11192	14.5
165.09106	6.0
171.11655	4.2
173.09647	5.8
175.11191	6.2
181.12309	5.6
185.13306	3.4
189.11217	13.3
191.10695	5.6
193.12282	24.7
205.12344	2.8
205.27194	2.2
223.13354	6.8
224.47464	1.9
227.12776	12.7
231.17422	2.5
243.17464	2.7
245.19142	2.2
249.14775	2.8
255.17621	2.3
261.18515	2.7
271.16885	8.0
273.18512	56.2
289.17999	44.2
291.19571	100.0
292.19995	4.0
307.19086	13.3
309.20627	6.8
579.36548	9.0
597.37933	22.3
615.38977	4.3
623.15167	2.6
650.39948	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	650.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01855	11.4
55.05506	23.2
57.03419	5.8
57.07066	6.4
57.18693	3.7
67.05505	34.5
69.03432	5.0
69.07064	13.3
71.58621	5.0
79.05500	34.1
81.03409	16.7
81.07059	84.5
83.04958	12.8
83.08611	14.1
85.02891	10.9
89.05984	4.5
91.05482	28.4
93.07038	27.2
93.71157	3.9
95.04967	16.6
95.08593	22.1
97.02871	5.6
97.06544	6.5
97.10165	22.0
104.06208	4.0
105.07015	21.3
107.04961	9.9
107.08598	18.8
107.86023	3.2
109.02903	7.8
109.06507	15.0
109.10157	15.9
111.04426	12.4
111.08092	6.3
115.05396	4.6
117.06992	18.1
119.08584	33.6
121.06480	8.3
121.10159	8.7
123.08054	20.9
125.09640	15.5
129.07019	8.6
131.08565	17.0
133.10114	14.0
135.08084	10.8
135.11691	9.5
137.09656	8.0
143.08559	6.8
145.06458	7.0
145.10126	15.5
147.08028	9.2
148.52838	4.4
149.09633	8.6
153.09004	4.7
153.12779	5.2
157.10106	8.4
159.08067	7.6
159.11664	10.8
161.09625	13.7
163.07550	6.9
163.11165	19.9
165.09109	7.0
171.11655	8.3
173.09630	4.1
177.12747	4.3
181.12230	6.8
189.09619	4.3
189.11201	18.8
189.12721	4.9
191.10635	6.4
193.12216	23.4
214.98392	3.7
223.13199	5.9
227.12865	8.8
243.84669	4.0
245.19052	5.3
255.17552	5.2
271.16882	11.6
273.18503	51.2
289.18005	50.1
291.19540	100.0
307.18994	13.0
309.20535	11.5
597.37830	19.0
650.39911	7.4
651.40204	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	644.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07058	1.1
55.05511	3.8
57.03421	1.3
57.07079	95.3
59.05007	15.6
67.05508	5.9
69.07066	5.1
71.08638	70.6
71.09045	1.7
73.06551	4.7
74.58970	1.3
79.05495	4.1
81.07058	7.2
83.08617	3.1
85.10188	57.1
87.04475	14.4
89.06037	100.0
90.06397	1.4
91.05495	3.6
93.07056	3.8
95.08616	5.0
97.06529	1.8
97.10168	4.2
99.11742	8.7
103.07597	7.2
105.07066	3.2
107.05008	1.8
107.07077	4.2
107.08624	1.9
110.34110	1.2
113.13275	2.0
117.09150	3.3
119.08595	3.0
121.10148	2.5
130.08633	5.7
131.07036	5.2
131.08522	1.5
133.08618	95.2
134.08882	2.0
141.16371	1.4
145.10126	1.4
147.11732	1.8
155.17987	5.8
173.11792	2.3
173.13274	1.4
175.09695	4.7
177.11246	39.9
178.11620	1.7
213.22142	8.8
219.12361	1.6
221.13828	8.9
239.14951	3.1
257.24820	5.7
265.16501	2.0
275.20096	2.5
283.17575	4.5
327.20142	3.9
353.21909	1.5
369.80624	1.3
371.22891	2.8
415.25403	24.3
455.28653	3.1
529.38940	2.1
626.45001	3.2
627.46442	5.0
644.41461	33.9
645.42096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
54.31734	2.1
55.01866	6.6
55.05513	25.3
55.82887	2.6
57.03446	11.2
57.07060	4.1
65.03934	4.0
67.05505	60.9
69.03436	3.0
69.07066	30.4
70.21535	10.6
71.04984	6.1
71.08607	4.1
79.05058	4.5
79.05495	56.7
80.05827	2.8
81.03405	2.5
81.06577	5.1
81.07060	100.0
83.04973	9.9
83.08631	15.3
85.06549	4.3
87.71063	2.2
91.05483	61.9
93.07052	65.9
95.04976	14.5
95.08048	4.7
95.08608	51.8
97.06516	8.9
97.10158	6.8
99.08089	10.1
105.07033	63.8
107.04951	11.9
107.08599	39.9
109.06499	17.8
109.10157	17.7
111.08079	6.9
117.07023	20.1
119.08586	60.3
121.10168	28.8
123.04425	2.8
123.08086	6.6
123.11718	6.4
125.09617	5.3
129.07039	8.3
131.08557	27.7
133.10133	31.2
135.08080	6.2
135.11691	13.7
137.09618	6.5
143.08551	6.8
145.10109	25.8
147.08043	3.9
147.11697	46.9
149.09578	9.5
149.13260	11.0
151.11195	3.5
157.10132	10.2
159.11729	19.5
161.09593	3.4
161.13269	25.4
163.11192	9.9
163.14806	4.0
165.12746	7.8
169.10121	3.8
171.11736	12.3
173.11969	2.0
173.13264	15.6
175.11223	5.0
175.14876	14.3
177.12746	3.3
177.16600	2.7
179.14340	4.2
185.13292	8.8
189.12689	3.1
195.13873	2.9
197.94031	2.3
199.14851	5.9
213.16525	3.2
217.15851	2.4
231.21039	4.2
239.17943	3.2
241.19566	26.7
257.19067	9.2
259.20587	53.6
267.15991	3.1
273.18625	3.5
275.20114	42.7
277.21649	10.1
291.19482	6.0
293.21136	13.0
315.23187	7.6
333.24252	60.1
334.24435	3.0
335.25705	6.0
349.23807	8.6
351.25287	5.3
367.24738	29.6
501.35861	2.5
516.35638	2.3
533.39349	3.5
545.38379	14.1
551.41046	5.8
607.43445	8.1
625.44580	20.4
643.24884	5.1
643.29926	3.4
643.40485	35.8
644.42236	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	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01874	10.4
55.05515	28.0
57.03445	7.4
57.07067	1.7
65.03927	3.9
67.05504	59.4
69.03418	3.6
69.07069	20.7
70.80325	3.5
71.04978	4.4
71.08617	2.0
75.35303	1.4
79.05495	57.9
81.03411	8.2
81.07059	100.0
83.04986	15.1
83.08622	14.8
85.02919	2.9
85.06525	3.1
91.05479	32.0
93.07044	55.6
95.04961	20.3
95.08607	34.7
97.06539	8.1
97.10172	15.1
99.04450	3.4
99.08079	3.4
105.07032	28.6
107.04987	5.8
107.08592	30.9
109.06516	10.2
109.10161	19.4
111.03696	2.2
111.04438	20.7
111.08077	9.2
117.07008	12.3
119.07786	2.0
119.08579	24.0
121.06520	7.0
121.10141	22.7
123.08073	28.0
123.11678	3.2
125.06007	2.4
125.09639	16.6
127.07529	1.2
129.06969	6.0
131.08571	15.9
133.06517	2.0
133.10130	13.2
135.08058	5.3
135.11693	15.4
136.45093	1.6
137.09605	6.0
143.08553	6.4
145.10126	18.9
147.08081	5.9
147.11699	9.9
149.09648	6.2
149.13338	3.0
151.11171	2.0
153.09119	5.9
153.12770	11.0
155.08461	1.4
157.10130	4.2
159.11720	7.2
160.54471	1.2
161.09660	3.2
161.13284	3.7
163.11165	16.6
163.14806	2.0
165.09119	5.4
165.12701	2.0
169.10098	1.6
171.10284	1.5
171.11700	3.7
173.09599	3.0
173.13229	3.6
175.11234	3.0
175.14946	1.6
179.14297	1.3
181.12257	9.9
185.09630	1.4
185.13304	2.9
187.11110	1.9
187.14812	3.0
189.11224	23.0
189.12863	1.4
191.10677	10.9
193.12263	2.6
201.16434	1.3
209.11760	2.6
223.13231	9.0
227.12753	20.3
227.17897	1.9
245.18974	2.1
255.17264	1.9
259.20547	1.5
261.22165	5.6
273.18472	24.2
274.18704	1.5
275.20078	1.7
277.21664	2.6
283.15378	4.6
291.19550	73.5
292.19730	2.5
309.20688	5.2
333.24185	1.5
335.25818	41.6
336.25912	1.6
345.62967	1.5
347.22192	4.1
365.23254	24.4
457.33603	1.5
505.34787	2.1
545.38129	4.4
607.43549	3.1
625.44696	27.3
626.44702	2.5
628.21692	1.4
643.44696	41.3
644.44366	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01873	9.3
55.05516	30.3
57.03443	7.4
57.07075	2.3
63.68820	1.8
65.03945	3.7
67.05510	66.0
69.03429	4.5
69.07074	20.8
71.04996	4.3
71.08664	1.9
71.58790	1.5
71.59265	2.5
74.11250	1.5
79.05503	56.2
81.03423	6.5
81.07066	100.0
83.04986	20.4
83.08619	12.8
85.02928	3.8
85.06548	3.0
91.05486	36.4
93.07056	57.5
95.04979	21.2
95.08618	38.5
97.06549	7.8
97.10175	17.7
105.07036	27.7
107.04957	6.9
107.08604	31.5
107.09290	2.3
109.06541	8.8
109.10165	18.5
111.04449	22.1
111.08082	10.8
117.07030	13.6
119.08600	27.6
121.06508	8.9
121.10155	26.1
122.81593	1.7
123.07201	2.0
123.08089	30.2
123.11729	3.3
125.09637	13.2
125.89265	1.5
129.07001	5.5
131.08566	18.4
133.10161	14.3
135.08052	5.5
135.11710	17.2
137.09613	4.9
137.13309	1.8
143.08583	5.8
145.10143	17.2
147.08066	6.7
147.11705	9.7
149.09668	4.6
149.13281	4.2
151.11159	1.9
153.09151	3.5
153.12766	10.1
155.08600	1.9
157.10170	5.6
159.08000	1.9
159.11736	7.1
161.09627	4.1
161.13216	3.6
163.11186	19.6
165.09134	5.1
169.10179	2.0
171.11662	4.0
173.09595	2.3
173.13274	2.7
175.11205	3.0
181.12262	12.2
183.11813	1.6
185.13261	1.8
189.11230	21.8
191.10637	9.1
193.12212	3.9
201.16498	2.1
223.13307	6.4
227.12817	18.5
227.14856	2.1
241.14127	1.8
255.17558	4.0
261.22137	6.5
273.18500	22.7
275.20178	2.2
283.15491	5.1
291.19565	62.8
292.19897	1.7
309.20599	3.6
315.23422	1.9
335.25806	39.8
336.25790	2.0
347.22226	4.2
365.23257	25.4
545.38275	3.9
607.42816	2.4
625.44574	24.6
643.43524	45.7
644.41663	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	643.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	0.6
58.99824	0.9
59.04984	0.4
62.49825	0.3
67.05447	1.2
69.07010	1.3
70.92836	0.3
71.22250	0.7
77.00912	5.4
79.05434	1.6
81.03373	0.7
81.07055	2.1
83.08611	0.4
91.05436	1.0
93.07004	0.7
95.01953	4.4
95.04923	0.8
95.08566	0.7
97.10165	0.5
100.02419	0.4
105.06966	1.3
107.08506	1.3
109.10125	0.8
117.06953	0.5
118.03448	0.8
119.08534	0.7
121.10110	0.4
129.03955	0.6
129.06944	0.4
131.01830	0.7
131.08517	0.5
133.10094	1.1
145.10092	1.1
147.05026	0.9
147.11644	1.0
149.02908	0.6
155.05499	0.6
159.04962	1.3
159.11618	0.5
167.05516	0.4
169.07010	0.4
171.05003	0.8
171.08548	0.4
173.06546	1.3
177.07623	0.5
183.04987	0.8
183.08644	0.8
185.06531	1.5
186.03673	0.4
187.08202	2.5
191.07542	0.8
191.09097	0.4
195.08617	1.2
197.10152	0.7
199.08075	1.4
201.09724	2.6
203.05656	0.4
203.07516	0.6
203.09190	1.1
203.11134	0.5
205.09161	2.0
207.04973	0.8
207.08759	0.9
209.06584	0.8
209.10138	0.9
211.08136	1.1
211.11786	0.5
213.09720	4.9
213.13072	0.4
215.11270	2.9
215.58603	0.3
219.10786	1.4
221.06531	1.5
221.10175	1.5
223.11778	2.8
225.06018	0.8
225.09677	1.1
227.07452	0.4
227.11276	2.9
229.09085	0.6
231.10725	1.1
231.14418	0.7
233.06792	0.5
233.10225	0.5
233.12212	0.6
235.08170	0.5
236.11333	0.4
237.13373	0.9
239.07602	1.3
239.11275	3.3
241.12880	4.9
243.10753	0.8
243.14456	0.7
245.12308	1.4
247.08049	0.5
247.11732	1.0
249.09570	1.0
251.11276	1.3
251.15005	0.5
253.08978	0.5
253.12830	1.3
255.14424	1.2
257.12344	2.7
259.11774	0.9
261.09769	0.4
261.13297	0.5
263.11264	1.4
264.11911	0.7
265.12845	3.9
267.10785	0.9
269.12357	1.5
269.15906	1.2
271.57202	0.4
273.16959	0.6
277.12845	4.9
277.16089	0.5
279.18130	0.4
281.12482	0.9
281.15695	0.6
282.13223	0.5
283.13907	3.4
287.18561	0.5
288.14331	0.5
289.16449	1.1
291.14597	0.7
291.18018	1.8
295.13940	7.0
297.16864	1.1
300.14520	0.9
303.18185	0.6
309.15857	0.6
309.19058	1.8
313.16483	1.2
314.19745	0.4
315.18060	37.2
316.18283	0.9
318.15515	0.9
327.20151	0.4
331.08267	0.6
333.19125	81.0
334.19376	2.1
338.19641	0.6
351.20175	100.0
352.20441	2.7
356.20706	13.3
357.21164	0.9
369.21252	0.6
374.21771	23.5
375.22037	0.9
625.39996	1.9
643.40594	42.8
644.41016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
58.99836	0.9
59.64383	0.2
65.33039	0.2
67.05470	1.1
69.03450	0.2
69.07050	0.5
70.79127	0.4
77.00909	6.5
79.05461	1.0
81.07060	2.1
83.08600	0.7
91.05431	0.5
93.07015	0.8
94.99868	0.2
95.01391	0.3
95.01953	4.5
95.04951	0.5
95.08581	0.6
97.10114	0.4
100.02448	0.7
105.07015	0.7
107.08570	0.5
109.06499	1.8
109.10135	0.7
117.06953	0.3
118.03521	0.4
119.01918	0.4
119.08558	0.6
131.01906	2.1
131.08443	0.3
132.02655	0.7
133.03430	0.4
135.11729	0.3
137.49092	0.3
144.02670	0.4
145.03470	0.7
147.11694	0.2
149.02959	0.9
150.03664	0.4
153.03999	0.4
156.02582	0.3
157.03416	0.6
159.04988	0.4
162.03757	0.3
167.05568	0.9
169.03412	0.4
170.04027	0.3
171.04988	0.6
173.06563	0.6
175.04472	0.3
183.04904	0.3
183.12260	0.3
185.06599	17.5
187.08182	0.8
189.06105	0.4
197.10228	0.3
199.08173	0.5
201.09732	1.2
203.07635	7.0
205.09192	0.8
205.10895	0.3
207.04938	0.6
207.08586	0.4
207.10551	0.4
207.12131	1.4
208.08130	2.2
209.06606	0.4
209.10197	1.1
211.08147	0.3
215.11272	1.2
217.09180	0.3
219.10785	0.6
221.06709	0.5
221.10274	0.4
223.08241	0.3
223.11757	1.0
225.06140	0.3
225.09723	0.7
225.13353	6.1
227.11261	3.2
233.12172	0.5
235.08128	0.5
235.11827	0.5
237.09875	0.3
237.13092	0.3
239.07628	0.5
239.11285	1.8
241.09128	0.4
241.12852	3.1
243.14432	47.6
244.11870	0.5
244.14609	1.1
245.10228	0.8
245.12456	0.4
246.13364	0.4
248.14989	1.7
249.09659	0.4
250.12787	0.3
251.11316	0.4
251.90138	0.2
253.09225	0.6
253.12816	1.3
255.10852	0.3
255.14435	0.5
256.15128	0.3
257.12317	2.5
259.14017	0.4
261.15488	16.2
262.13019	0.4
262.15604	0.3
263.11258	4.1
264.12091	1.5
264.14523	0.4
265.12766	0.5
266.16010	5.4
269.12302	0.4
271.13968	0.9
280.13968	0.3
281.12354	9.4
282.13153	2.5
283.13879	1.1
284.17136	1.6
286.12924	0.8
287.13614	0.4
289.17575	0.5
291.14401	0.7
291.17844	0.6
299.13409	0.4
300.13995	1.1
304.13986	1.1
305.19571	0.3
309.15445	1.3
309.19122	1.1
315.18011	1.4
333.19067	19.7
334.19443	0.5
350.21814	0.6
351.20163	100.0
352.20309	2.4
353.20496	0.4
356.20743	1.2
369.21301	0.9
374.21777	24.9
375.21906	0.9
527.36792	0.3
545.37506	0.5
625.39355	2.2
643.40552	35.1
644.40900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20032	0.5
53.03943	0.7
55.01863	1.6
55.05509	2.3
57.03441	0.6
57.07061	0.4
67.05501	5.0
69.03416	0.7
69.07074	2.6
71.08614	0.4
77.37769	0.6
78.37042	0.4
79.05495	3.5
81.03426	0.9
81.07061	5.0
83.04981	0.6
83.08591	0.9
83.73518	0.5
91.05489	3.6
92.20717	0.5
93.07059	3.2
95.04978	1.4
95.08614	2.7
97.06537	1.6
97.10172	1.4
99.08134	0.5
105.07024	3.8
107.04958	1.1
107.08598	3.0
109.06510	1.4
109.10154	2.2
111.08075	0.7
117.07024	1.3
119.08602	2.7
121.06471	0.6
121.10155	1.9
123.08110	0.6
125.09683	0.8
127.09283	0.5
129.07056	0.9
131.08568	1.3
133.10182	2.2
135.11740	0.8
143.08629	0.9
145.10089	1.5
147.11694	1.2
149.09628	0.6
151.16502	0.5
155.08629	0.6
157.10114	0.5
159.11729	1.4
161.09628	0.7
161.13274	0.7
163.11192	1.1
164.35403	0.4
171.11673	0.6
173.13226	0.7
179.14337	0.8
223.13344	0.7
229.31549	0.6
249.14871	0.5
273.18573	1.0
275.20065	6.0
276.20490	1.5
277.21707	1.3
291.19543	0.6
293.20993	1.1
305.15756	0.5
331.18585	1.6
333.20657	0.9
349.19522	0.6
349.23822	1.5
495.24188	0.7
543.32562	1.3
565.25946	0.6
581.27472	1.7
605.40857	0.5
623.43225	2.9
641.40204	100.0
642.40442	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.3
55.01844	0.4
55.05486	0.8
57.45990	0.3
67.05506	2.0
69.07016	0.4
69.24970	1.8
69.25395	1.7
71.04978	0.3
71.08620	0.3
78.26059	0.3
79.05502	1.7
79.05872	0.5
81.03353	0.5
81.07056	2.8
82.07372	0.8
83.08585	0.6
91.05431	1.2
93.07043	1.9
95.04962	0.3
95.08541	1.1
99.08027	0.4
100.67960	0.3
105.06985	1.3
107.08576	0.8
109.06474	1.0
109.10129	0.6
119.08511	0.9
121.10110	0.5
123.07923	0.3
133.10114	0.8
136.12044	0.3
142.08699	0.3
145.10098	0.8
147.11662	0.5
149.13286	0.5
275.20050	1.1
276.20520	0.6
277.21262	0.7
306.46445	0.3
338.40631	0.3
346.44901	0.3
383.35764	0.3
396.12094	1.1
397.13040	2.1
398.13672	1.2
399.14618	0.4
400.15088	0.5
407.36249	0.3
409.13132	0.8
410.13730	2.5
411.14581	6.9
412.15253	5.0
413.16162	2.9
414.16663	0.6
423.15152	1.8
424.11124	1.2
424.16330	2.5
425.16327	12.5
426.11273	0.6
426.16882	11.5
427.17508	1.8
428.18466	1.7
437.16852	1.5
438.12177	3.1
438.17615	1.1
439.13620	16.8
440.13846	1.8
440.19342	5.0
441.19266	41.1
442.19659	4.7
451.13168	0.5
452.14282	3.6
453.15308	19.8
454.15854	6.9
455.16443	0.5
456.13498	0.3
457.14984	0.9
458.15396	0.7
463.14163	0.9
464.14346	0.4
465.15451	0.9
466.12863	1.3
467.17163	27.7
468.17877	19.1
469.18808	15.2
470.19370	1.5
471.16522	1.0
472.17603	0.6
478.16043	0.4
479.17178	0.7
480.17004	1.2
481.14719	13.8
482.15335	4.6
483.15753	0.5
485.18066	1.3
486.18893	0.7
487.19836	0.6
494.17511	0.7
495.15887	2.9
496.17252	13.4
497.17819	3.2
498.18704	1.0
499.15628	0.3
499.19968	1.1
508.19104	1.1
509.18304	2.6
510.19922	0.7
511.19971	0.3
512.20862	1.5
513.21289	0.5
514.22675	2.9
522.17804	1.3
523.19720	1.8
524.20404	0.4
525.17340	0.4
527.23309	3.0
528.23120	0.9
537.19299	1.3
539.19336	0.4
540.20404	0.6
542.21362	0.9
545.23364	0.6
545.38550	0.4
552.19739	0.4
555.22406	35.2
556.22668	4.6
568.19519	0.7
572.22150	0.4
573.23944	0.4
583.21899	100.0
584.22156	14.9
586.20526	0.5
587.25061	2.0
588.25470	0.5
611.21411	2.0
612.21722	0.4
614.23529	1.0
615.24432	15.0
616.25037	2.3
625.44153	0.5
643.23956	83.0
644.24207	13.1
651.22119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05509	1.3
57.07070	0.6
60.24964	0.3
65.03951	0.4
67.05502	1.5
69.03432	0.9
69.07073	0.7
70.06587	0.5
70.62358	0.3
70.72308	0.4
70.72637	0.9
71.04999	0.4
79.05492	0.8
81.03418	1.2
81.07062	1.4
81.91319	0.3
85.02905	2.0
87.04508	0.5
91.05475	1.3
91.35431	0.3
93.07045	1.2
95.04935	0.5
95.08601	1.5
97.02906	1.1
97.10201	0.5
98.97677	0.3
105.07015	1.1
107.04967	0.7
107.08605	1.0
109.02844	0.7
109.10161	1.4
111.04502	0.4
112.14130	0.4
116.17678	0.4
117.07036	0.3
119.04943	0.9
119.08569	0.6
121.10150	0.8
123.11719	0.9
127.03954	0.6
131.04968	0.5
133.10043	0.4
135.08035	0.5
137.05972	1.0
145.05043	0.3
147.04411	1.3
149.02362	5.4
149.06003	0.6
150.31892	0.4
151.07498	0.4
153.05505	0.4
157.10201	0.5
161.05998	0.4
161.09718	0.5
165.09122	1.2
165.14577	0.4
167.07066	1.2
175.03931	0.9
175.07532	0.7
177.05507	0.8
177.49866	0.3
181.05000	1.2
185.04155	0.4
187.07631	0.4
203.07111	0.5
207.06526	1.9
243.06029	0.4
245.06206	0.6
253.50908	0.3
259.08029	0.4
261.07349	0.8
275.07596	0.7
275.11002	1.5
297.07700	0.4
299.12628	0.5
305.08398	2.2
317.13770	1.1
331.08282	0.5
347.09509	2.3
359.13489	0.5
365.10544	11.0
419.15277	5.2
423.12796	0.6
437.16385	6.0
479.18973	2.3
534.49561	0.4
585.18011	0.7
587.12726	0.4
641.24158	100.0
642.24115	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05511	1.2
57.07074	0.5
61.55225	0.2
62.37146	0.2
67.05499	1.5
69.07067	0.9
70.85870	0.4
70.86209	0.2
71.08639	0.4
79.05499	1.4
81.07063	2.2
83.04987	0.4
83.08630	0.6
85.10208	0.2
89.06046	0.4
91.05466	1.4
93.07040	1.1
93.54491	0.2
95.04963	0.6
95.08602	1.0
97.06538	0.3
97.10168	0.4
105.07040	1.1
107.04932	0.5
107.08611	1.1
109.06506	0.2
109.10186	0.4
111.08092	0.3
117.07014	0.6
119.08601	0.8
121.10159	0.5
125.09684	0.3
129.07021	0.3
131.08598	0.7
133.10120	0.4
135.07980	0.4
135.11667	0.4
143.08580	0.3
145.10144	0.5
147.11732	0.4
159.11691	0.5
163.11211	0.3
165.12794	0.2
173.13367	0.3
185.13293	0.2
187.11166	0.2
189.11299	0.3
191.80458	0.2
227.12836	0.3
257.12393	0.3
257.18887	0.2
259.20688	0.2
275.19998	1.2
289.17856	0.4
291.19586	0.4
315.19333	1.1
331.18747	0.3
349.19937	2.8
349.23929	0.3
365.23340	0.2
367.19788	0.3
386.29868	0.2
543.36963	0.4
623.43250	1.6
629.25934	0.2
641.40228	100.0
642.40680	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	641.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10736	0.4
55.05503	2.2
57.03427	0.7
57.07072	0.9
62.61640	0.4
65.58056	0.3
67.05508	2.9
69.07066	1.7
70.21524	1.7
71.08634	0.7
74.10783	0.4
79.05484	3.1
81.03396	0.5
81.07064	4.4
83.08616	1.4
83.22447	0.4
87.92686	0.4
91.05489	2.2
93.07057	2.7
95.04951	0.6
95.08606	2.3
97.06522	0.9
97.10162	0.6
98.21381	0.5
99.69284	0.4
103.00263	0.5
105.07027	2.2
107.08588	1.9
109.06508	1.3
109.10171	1.2
110.62827	0.5
117.07017	0.9
119.08578	1.5
121.10136	0.8
125.09645	0.6
129.06944	0.5
131.08553	1.2
133.08620	0.4
133.10147	1.4
135.08003	0.7
135.11708	0.6
139.11148	0.4
141.07028	0.5
145.10123	1.3
147.11722	0.7
149.09656	0.6
155.08498	0.4
157.10161	0.6
159.11620	0.7
163.11127	0.5
173.13275	0.6
271.16962	0.5
275.20059	1.9
289.18216	0.6
315.19373	1.8
331.18655	0.5
349.19763	3.3
349.23849	0.9
397.16470	0.4
409.04156	0.4
422.78629	0.4
457.29156	0.5
466.15482	0.4
542.52429	0.4
543.36572	0.7
553.34973	0.5
623.43042	2.3
624.43018	0.6
641.40210	100.0
642.40662	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	639.1921
Annotation	Demethoxycentaureidin 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03937	0.3
55.01861	0.2
55.05500	0.4
57.03448	1.4
61.02919	0.6
67.05519	0.4
69.03429	1.3
70.06596	1.4
71.01374	0.2
71.04999	9.0
71.23846	0.4
73.02907	0.4
75.04494	0.3
81.03406	1.0
81.07055	0.9
83.04974	0.8
85.02912	13.2
87.04451	0.5
91.03955	0.3
91.05479	0.7
92.02628	0.3
93.03379	0.3
93.07035	0.5
95.04963	0.5
95.08596	0.6
97.02909	1.6
98.20888	0.2
99.04471	0.3
105.07047	0.4
107.08600	0.3
107.25230	0.2
109.02882	0.7
109.10168	0.2
111.04447	0.4
113.05965	0.3
116.07115	1.6
119.04934	0.2
119.08557	0.3
121.02877	0.5
121.06505	0.4
121.10140	0.3
123.04419	0.3
125.05990	0.3
127.03918	0.9
129.05492	2.6
133.06493	0.2
137.05972	0.8
139.13171	0.2
140.04680	0.5
145.02847	0.6
145.04967	0.8
145.10057	0.3
147.04408	1.6
147.06551	0.5
149.05957	0.3
151.03931	1.3
153.05479	0.7
167.03419	5.1
167.07056	0.4
177.05536	1.4
177.30812	0.2
179.03377	0.6
184.03783	0.3
187.07487	0.3
216.37233	0.2
231.06516	0.6
232.07281	0.5
242.05772	1.0
243.06549	1.5
245.04518	0.2
253.80052	0.2
259.06100	1.1
260.06903	1.2
271.06018	1.7
275.09125	0.2
287.05539	1.6
288.06335	3.3
298.04654	0.4
299.05487	2.4
300.06375	0.4
301.06958	0.3
315.08612	0.4
316.05783	10.8
317.06387	0.3
331.08139	100.0
332.08487	0.5
383.14856	0.6
434.51581	0.2
493.13129	0.4
538.19263	0.3
600.53986	0.2
639.23163	0.8
639.33514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1712
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.03937	0.3
55.01866	0.2
55.05517	0.1
57.03437	1.8
61.02927	0.7
68.99786	0.3
69.03437	1.2
70.06578	0.2
70.58435	0.3
70.58822	0.2
71.01357	0.2
71.04994	10.0
73.02918	0.6
75.04462	0.5
81.03419	0.6
83.04990	0.6
85.02908	14.5
87.04449	0.5
91.03915	0.4
97.02887	1.2
99.04436	0.4
109.02879	1.2
111.00806	0.8
111.04435	0.4
121.02863	0.1
123.04407	0.2
126.03217	0.1
127.03932	1.2
129.05482	3.2
133.02855	0.1
137.02324	0.7
139.03897	1.7
140.04605	0.2
145.04953	0.7
147.06532	1.1
149.02205	0.1
151.03909	0.2
153.01833	4.1
153.05316	0.2
161.06044	0.2
163.03912	0.1
165.01863	1.5
166.02637	0.3
167.03403	1.0
167.07080	0.3
171.04445	0.1
179.03383	0.4
183.02930	0.4
189.05348	0.3
191.07040	0.2
193.04996	0.6
195.02925	0.2
205.04790	0.2
206.05670	0.3
208.03630	0.2
216.04178	0.3
217.04958	1.7
219.02939	1.5
229.05006	0.2
233.04439	0.6
234.01743	0.2
234.05161	0.4
241.04919	0.4
244.03700	1.1
245.04462	2.7
247.02354	0.2
255.02870	0.3
259.06192	0.7
261.03964	0.3
270.70648	0.1
272.03143	0.4
273.03918	2.6
277.07056	0.7
285.03857	0.2
287.05469	1.0
289.03418	1.6
290.04291	1.5
300.02615	0.3
301.03448	4.1
302.04218	0.3
303.05075	0.4
304.05695	0.5
311.04147	0.1
315.04880	0.3
317.06534	1.8
318.03717	7.1
333.06049	100.0
334.06427	1.1
345.06262	0.1
347.07574	0.8
375.07355	0.2
455.08905	0.2
495.11414	0.4
509.24319	0.1
549.60284	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	638.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01867	4.0
55.05509	18.3
57.07055	1.5
62.26304	1.0
65.03937	1.0
67.05169	1.7
67.05507	21.5
69.03411	1.4
69.07069	9.3
71.04985	2.4
71.60999	1.2
76.64465	1.2
79.05494	17.5
81.03417	6.4
81.07056	23.2
83.04991	5.4
83.08620	18.0
85.06554	1.0
91.05478	19.9
93.07036	16.3
95.04969	21.9
95.08613	14.1
97.02930	1.1
97.06542	4.3
97.10184	6.4
103.05483	1.1
105.07037	19.2
107.04968	8.2
107.08587	15.1
109.06528	4.0
109.10154	8.1
111.08071	3.3
117.07021	7.2
119.08576	17.3
121.06500	3.2
121.10153	11.8
123.08044	2.9
123.11730	2.1
125.09651	4.7
126.88539	1.0
129.06998	2.7
131.04904	1.4
131.08531	9.8
132.84496	1.0
133.06566	1.2
133.10121	15.3
135.08063	3.2
135.11708	4.8
137.09633	3.5
143.08594	2.4
145.06523	1.8
145.10106	16.5
147.08034	2.4
147.11681	8.0
149.09622	17.9
149.13243	2.3
151.11212	3.0
153.09180	1.6
155.08563	2.5
157.10133	3.3
159.11707	8.7
161.09593	2.1
161.13275	3.2
163.11197	19.4
165.12798	4.1
167.10690	1.1
169.10075	2.3
171.11710	2.4
173.09647	4.3
173.13217	3.4
175.11208	2.1
175.14862	1.4
177.12766	2.9
183.11702	2.6
185.13429	1.0
187.11208	1.7
187.14848	1.2
189.11252	4.3
197.13327	1.7
205.12292	2.1
221.25688	1.1
223.13306	17.7
229.19539	1.4
239.17982	7.0
247.20567	1.9
257.19012	13.8
263.87100	1.1
264.89240	1.4
275.20062	100.0
276.20352	1.9
291.19604	3.3
292.19745	1.7
293.21097	61.6
294.21490	2.3
325.16122	1.0
336.21573	1.2
639.41986	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	639.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01857	0.1
55.05499	0.1
57.03425	0.1
57.07067	0.1
63.02374	0.1
65.03939	0.1
66.01088	0.1
67.05482	0.2
68.99807	0.2
69.03428	0.6
69.07047	0.1
70.06580	0.1
71.01333	0.1
71.59767	0.2
75.69250	0.1
78.01079	0.2
78.04698	0.1
79.05472	0.1
81.03419	2.2
81.07040	0.5
83.08644	0.2
85.02911	0.8
85.06540	0.1
89.03910	2.6
91.05473	0.6
93.07053	0.3
94.04182	0.3
95.04964	0.2
95.08595	0.2
97.02890	0.1
99.04439	0.2
103.05484	0.2
105.07001	0.2
106.04156	0.1
107.04953	0.2
107.08604	0.2
109.02883	0.7
109.10143	0.2
111.00845	0.1
111.04424	0.1
117.03380	7.4
119.04940	0.7
119.08572	0.2
121.01985	0.2
121.02861	3.9
121.06503	0.1
124.01628	0.1
124.05201	0.1
127.03902	0.3
128.23332	0.1
133.06519	0.1
133.10172	0.1
134.03630	0.9
135.04428	0.8
135.11832	0.1
137.02350	0.6
137.06012	0.1
141.06921	0.1
145.02841	20.9
146.03198	0.3
147.04401	3.9
149.02316	0.3
149.05969	2.9
150.02676	0.2
151.03888	0.2
153.01860	1.0
153.05428	0.1
157.06471	0.4
158.06007	0.3
161.05983	0.2
163.03909	0.3
165.05508	0.1
165.09122	0.4
171.02879	0.8
171.04279	0.2
173.05911	0.1
177.05464	57.6
178.05833	0.7
184.05212	0.5
185.04443	0.1
185.05968	0.1
186.05475	1.2
188.04646	0.7
189.05417	0.2
193.01257	0.1
195.06480	0.7
201.05428	0.2
202.06349	0.2
210.01636	0.2
212.04701	0.5
213.05449	1.9
216.04401	0.1
218.05687	0.2
229.04900	1.1
230.05647	0.2
240.04179	0.4
241.04930	1.3
242.05640	0.4
245.04407	0.1
255.06430	0.2
257.04498	1.1
258.05240	5.0
259.06125	0.1
266.84485	0.1
269.04413	0.3
272.03043	0.1
273.03928	0.2
279.08701	0.1
285.03940	10.9
286.04709	41.9
287.05130	1.2
288.06226	0.1
291.08588	0.3
299.05756	0.1
300.06284	0.2
301.07050	100.0
302.07397	1.7
309.09814	0.1
315.04993	0.7
315.08649	0.4
316.05759	2.2
321.09708	4.0
331.08118	6.3
339.10788	2.1
343.08069	0.2
427.95831	0.1
546.44781	0.1
639.23120	0.2
639.31750	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	639.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
55.64492	0.4
59.72437	0.4
67.05500	1.5
69.03419	1.0
69.07082	0.6
70.06573	0.4
71.60706	0.5
75.99559	0.4
79.05480	1.1
81.03412	1.7
81.07034	2.0
83.05016	0.5
83.08592	0.6
85.02903	0.9
85.64539	0.4
91.05485	3.5
93.07038	1.1
93.62993	0.4
95.04962	0.8
95.08613	1.2
97.02893	0.6
105.07019	1.2
107.04984	0.6
107.08533	1.1
109.02869	0.5
109.10143	0.9
111.08082	0.4
117.07053	0.4
119.04932	4.9
119.08579	1.2
121.06509	0.7
121.10178	0.9
122.12280	0.4
125.09612	0.5
127.03847	0.5
127.10674	0.3
131.08551	0.4
133.10185	0.7
137.02245	0.4
137.06021	0.8
145.10101	0.7
147.04410	27.2
148.04729	0.5
151.03896	2.6
153.01842	1.4
161.06059	0.5
164.04697	0.4
165.09094	0.7
167.07019	0.4
171.07962	0.5
177.05473	1.1
181.12274	0.4
184.82497	0.5
217.05028	0.5
243.06509	0.9
245.04451	1.6
271.06000	0.7
273.03955	3.3
285.03940	0.6
286.04535	0.5
287.05502	1.6
288.06305	1.8
291.08542	0.9
299.05493	0.9
300.02737	0.6
300.06259	1.5
301.03424	7.5
301.07007	2.2
315.05069	10.3
315.08612	2.0
316.05771	36.5
317.06219	0.9
331.08121	100.0
332.08459	1.8
459.27435	0.9
477.14075	0.7
477.27982	0.5
557.29230	0.4
639.18506	0.6
639.30811	1.5
659.84027	0.5
669.49969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01866	3.2
55.05513	13.5
57.03434	1.8
57.07080	12.0
65.03930	1.6
67.05168	1.2
67.05505	17.2
69.03424	1.4
69.07072	9.8
71.04988	1.9
71.08634	1.2
79.05491	16.4
81.03427	7.3
81.07059	25.5
83.04985	6.6
83.08617	7.5
85.02901	1.0
85.06541	1.6
85.10184	28.8
88.38496	0.7
91.05483	14.0
93.07042	13.5
95.04973	14.5
95.08607	14.7
97.06524	10.6
97.10168	8.1
98.21608	1.4
99.08080	2.4
105.07042	10.9
107.04961	11.3
107.08598	10.8
109.06538	5.1
109.10162	5.7
111.04430	3.1
111.08086	3.8
111.62601	0.7
113.09649	30.1
115.05440	1.0
117.06986	4.2
119.08588	8.7
121.06502	2.6
121.10145	6.3
123.08082	7.1
123.11680	1.1
123.75475	0.8
125.09624	5.9
129.06990	3.2
130.27380	0.8
131.08563	4.3
133.06471	1.4
133.10149	5.8
135.08037	2.7
135.11679	3.9
137.09616	1.7
138.87088	0.7
139.11113	0.8
143.08543	2.5
145.06493	1.1
145.10048	4.6
147.08052	2.2
147.11691	8.8
149.09628	9.3
149.13272	3.2
151.11226	3.2
153.09128	2.1
153.12749	2.1
154.81001	0.7
155.10663	0.7
157.10141	3.2
159.11661	2.3
161.09630	2.0
161.13234	3.7
163.11179	9.5
163.14755	0.8
165.09109	0.9
165.12764	37.3
167.14314	1.0
171.11661	2.0
173.09686	1.1
175.11194	4.4
175.14850	1.8
177.12715	1.2
178.83618	0.7
179.14323	1.4
180.35358	0.7
181.12239	3.2
183.74106	0.8
185.13271	1.5
189.11223	4.9
189.12729	1.5
191.10706	1.9
193.12248	2.0
195.13782	0.9
203.14351	0.8
206.04475	0.8
207.13811	1.3
211.13264	1.3
221.15497	0.9
223.13335	2.9
227.12762	2.0
231.17491	1.1
241.19501	1.6
245.19046	1.5
249.14778	0.9
249.22168	1.2
255.17462	1.0
257.19345	0.9
259.20572	5.4
263.20013	1.0
273.18536	7.3
275.20026	3.5
277.21634	51.8
278.22208	0.7
290.18640	1.2
291.19537	30.0
292.19897	0.8
293.21060	9.4
294.21518	1.4
295.22690	100.0
296.22992	1.2
309.20621	13.1
455.31638	1.5
567.39581	1.1
585.41400	2.8
639.38739	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	638.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01863	3.4
55.05262	1.1
55.05512	14.5
57.03429	2.6
57.06826	1.3
57.07080	13.4
65.03925	1.0
66.68958	0.8
66.69329	0.8
67.05165	1.7
67.05505	21.3
69.03419	2.6
69.06716	1.2
69.07069	14.0
69.07435	0.7
71.04984	2.4
71.08615	1.4
71.59290	0.8
71.59653	1.5
77.03885	1.2
78.12940	0.9
79.05499	20.7
81.03423	10.0
81.07061	33.7
83.04985	7.0
83.08626	10.4
85.06528	1.6
85.10188	30.7
91.05482	18.6
93.07047	19.2
95.04978	15.9
95.08613	18.9
97.06539	12.0
97.09729	0.8
97.10188	9.2
99.08108	2.2
99.17933	0.8
104.05186	0.9
105.07032	16.0
107.04958	13.1
107.08596	12.5
109.06531	4.3
109.10159	7.4
111.04446	2.9
111.08076	4.7
113.09644	35.2
115.07584	1.1
117.07017	4.6
119.08585	13.1
121.06503	3.7
121.10129	8.0
123.08079	7.9
123.11686	1.7
125.09637	6.6
128.06270	1.1
129.07031	5.3
131.08566	8.0
133.10139	7.1
135.08034	2.6
135.11673	4.2
137.09612	2.2
139.11263	1.0
143.08548	3.0
145.10139	6.5
147.08055	2.4
147.11703	9.3
149.09613	10.2
149.13289	2.8
151.11174	3.6
153.09097	1.7
153.12691	2.1
155.08502	1.6
157.10130	3.3
159.11700	3.4
161.09616	1.7
161.13231	2.8
163.11191	10.0
163.14845	1.2
165.12755	42.8
171.11739	1.6
173.13196	0.9
175.11195	6.5
175.14861	2.0
177.12802	1.8
181.12216	3.1
189.11307	4.6
189.12762	1.1
189.88210	0.9
191.10629	1.4
193.12296	2.1
195.11816	0.9
205.22337	0.8
207.13846	1.9
223.13260	3.0
227.12805	3.3
231.17352	1.4
241.19556	2.5
249.22179	1.4
255.17554	1.2
259.20532	6.1
261.14868	0.9
262.43002	0.9
273.18509	6.8
275.20163	5.2
277.21631	54.7
290.18781	1.3
291.19553	35.4
292.19873	1.1
293.21112	9.6
295.22696	100.0
296.23019	1.4
309.20618	12.0
455.31537	1.5
511.16885	1.1
567.40247	1.5
585.41296	3.0
603.42279	1.0
638.36200	1.9
639.38690	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	637.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59736	2.4
53.03946	6.0
54.79084	2.3
55.01865	13.6
55.05510	32.5
55.50816	2.3
57.03426	7.5
67.05507	45.3
69.03425	14.7
69.07061	16.2
70.06583	3.5
71.04971	7.4
71.18234	4.4
79.05487	40.6
81.03420	38.4
81.07059	69.8
83.04984	16.9
83.08621	25.6
85.02886	11.3
85.06519	3.4
91.05483	33.6
93.07044	40.8
94.41403	2.5
95.04971	26.9
95.08611	25.4
97.02883	13.8
97.06517	7.8
97.10167	34.6
99.04449	6.9
105.07030	28.0
107.04966	18.5
107.08591	32.9
109.02884	21.2
109.06511	7.4
109.10145	24.2
111.04447	20.9
111.08083	12.7
117.07033	16.0
119.05013	3.5
119.08576	27.6
121.06519	18.1
121.10132	18.0
123.04433	4.6
123.08044	19.7
123.11707	4.0
125.02355	32.5
125.09655	26.8
127.03925	23.4
128.06200	4.5
129.07060	12.9
131.04869	2.8
131.08591	16.7
132.04393	3.8
133.06471	7.7
133.10136	14.4
135.08029	12.8
135.11671	12.3
136.06143	4.9
137.06062	2.9
137.09619	6.4
139.03909	3.7
143.08507	7.3
145.06479	5.1
145.10136	23.6
147.04498	2.6
147.08067	17.7
147.11734	3.8
149.09621	10.2
149.13354	2.8
151.11163	3.8
151.30179	2.7
153.09140	6.0
153.12753	6.7
155.08533	4.4
157.06471	3.4
157.10146	8.1
159.08109	5.4
159.11717	9.0
161.06020	3.2
161.09605	11.2
163.07518	5.5
163.11203	15.5
165.09097	5.5
167.07130	5.0
171.11668	5.6
173.09607	6.5
175.11192	5.1
178.93321	2.7
181.12201	7.0
185.09589	4.7
187.11249	4.2
189.09511	3.2
189.11200	21.4
189.12724	5.0
191.10666	8.4
193.12241	7.0
199.11269	2.7
205.12283	3.2
207.10110	6.3
211.11195	2.8
223.13287	7.5
227.12709	14.9
229.12238	5.7
229.14359	4.4
237.18611	3.7
245.19005	3.8
247.13237	3.4
249.14864	3.4
255.17487	5.7
263.20026	4.9
273.15607	4.2
273.18539	33.3
289.17984	17.5
291.19540	100.0
309.20581	20.5
353.32275	2.6
363.19498	4.2
365.15863	3.7
371.21906	4.0
381.20557	9.0
399.21667	22.2
403.71655	3.4
417.22644	32.8
435.23740	31.3
440.27307	6.0
453.24878	8.0
637.30377	4.1
637.38824	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	637.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.01874	6.1
55.05507	13.5
55.75251	1.1
55.75520	1.1
57.03437	1.8
58.74786	1.2
59.05008	1.3
60.78909	1.3
61.02937	1.7
65.03933	1.8
66.09653	1.1
67.05510	22.3
68.05815	1.5
69.03429	4.6
69.07069	5.6
69.45517	12.3
71.04987	3.6
71.87640	1.1
73.02918	1.7
79.05491	20.8
81.03418	7.2
81.07060	82.3
83.04969	9.1
83.08637	7.8
85.02909	10.6
85.06570	1.5
91.05483	13.0
93.07038	16.4
95.04980	12.3
95.08607	9.5
97.02880	4.1
97.06526	4.8
97.10169	10.8
98.21435	2.4
99.04437	3.0
99.08082	1.6
105.07030	12.4
107.04971	6.1
107.08596	13.6
109.02877	2.4
109.06512	6.3
109.10176	11.3
111.04440	20.5
111.08115	7.8
117.07015	5.9
119.08598	11.9
121.06480	4.2
121.10138	11.4
123.04417	1.6
123.08058	19.5
123.11715	1.9
125.09617	6.8
127.03926	1.8
129.07007	2.5
131.08560	8.9
132.04498	2.2
133.06506	2.6
133.10132	4.6
135.08075	4.9
135.11687	10.2
137.05995	1.5
137.09615	5.8
141.06917	1.2
143.08578	4.0
145.06479	2.7
145.10109	13.4
146.06056	2.1
147.08078	5.8
147.11685	4.0
149.09639	4.7
153.09120	2.0
153.12752	8.3
155.08556	1.9
156.19489	1.2
157.10147	1.6
158.06105	1.4
159.08121	1.7
159.11642	2.9
161.09677	3.4
163.11189	15.2
165.09070	2.5
173.09663	4.7
175.11208	2.3
181.12231	11.8
185.09639	1.4
189.11256	6.5
191.10663	11.5
196.07635	1.4
209.11768	3.8
223.13293	10.5
227.12759	23.2
237.69336	1.2
249.14894	1.5
255.17560	2.8
263.20108	1.5
273.18460	24.3
291.19553	100.0
292.19809	1.9
309.20615	31.5
309.24042	2.5
311.80945	1.1
312.16101	1.6
359.20233	1.4
376.22672	1.8
383.47275	1.2
404.22455	8.5
422.23254	12.9
440.24240	2.4
514.39001	1.5
532.72516	1.3
618.92297	1.5
637.40302	6.2
650.10443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01879	12.9
55.05513	31.3
57.03448	4.3
57.07068	4.0
67.05506	39.5
69.03425	5.2
69.07056	19.1
69.44823	37.0
72.93775	3.9
79.05495	40.0
80.05849	3.9
81.03434	6.0
81.07063	70.1
83.05003	13.0
83.08624	23.8
83.69371	4.3
85.02939	4.1
91.05477	30.3
93.07049	38.3
95.04973	17.3
95.08610	24.2
97.06593	7.7
97.10185	18.8
98.20696	6.5
105.07039	27.0
107.04987	14.0
107.08575	23.9
109.06558	16.8
109.10176	9.9
111.04459	6.3
111.08122	7.0
117.07040	7.9
119.08578	28.6
121.06559	8.3
121.10180	14.4
123.08111	12.0
125.09660	11.8
129.07018	7.6
131.08597	15.6
133.06453	3.7
133.10178	16.7
135.08110	6.3
135.11736	6.9
137.09695	3.6
143.08537	9.9
145.10115	19.2
147.08092	12.5
147.11702	8.4
149.09679	10.7
153.09131	4.1
157.10176	5.1
159.11736	9.4
161.09641	8.6
163.11226	14.2
164.98517	5.0
165.09178	7.6
173.13298	4.7
175.11180	5.1
181.12314	7.1
189.11229	17.6
191.10643	5.9
193.12282	7.4
205.12282	3.6
223.13235	5.5
227.12848	9.0
249.14967	5.5
257.18988	4.4
273.18512	29.4
275.19977	24.7
291.19577	100.0
292.20010	7.5
293.21198	11.4
294.21786	4.7
309.20535	8.4
339.29190	5.7
372.98859	6.9
411.21881	9.5
550.10254	4.4
563.94250	4.3
616.37885	4.6
636.41449	7.0
637.24725	7.0
637.37183	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	636.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.7
55.01864	5.1
55.05514	17.1
56.06099	1.3
56.96564	1.5
57.03426	1.1
57.07062	1.3
62.31853	1.1
65.03934	1.7
67.05514	16.5
69.03424	2.3
69.07072	8.2
69.37865	11.9
70.02943	1.8
71.04995	1.2
79.05502	21.0
81.03413	3.8
81.07063	39.5
83.04997	3.5
83.08633	10.2
91.05491	17.2
93.07049	14.4
95.04975	12.3
95.08614	8.8
97.02920	1.3
97.06546	3.0
97.10201	13.3
99.04424	1.3
105.07043	16.6
107.04964	8.4
107.08596	18.5
109.06503	6.0
109.10159	4.2
111.04471	2.9
111.08103	1.8
117.07005	10.4
119.04972	1.3
119.08580	19.3
119.09364	1.9
121.06532	7.3
121.10155	7.3
123.08085	4.4
125.09643	9.2
129.07019	3.5
131.08537	8.7
133.06493	2.4
133.10130	5.2
135.08072	4.5
135.11708	3.6
137.09653	2.4
143.08595	4.9
145.10156	11.1
147.08087	8.3
147.11723	4.5
149.09679	7.0
153.09167	3.3
155.08556	1.7
157.06499	1.8
157.10158	4.7
159.08084	2.8
159.11711	5.4
161.09650	4.6
163.11169	5.6
165.12628	1.4
169.10164	2.3
171.11671	2.7
173.09662	2.5
175.11185	1.5
181.10231	1.2
181.12289	2.3
185.09706	1.5
185.13319	2.1
187.11087	1.7
189.11212	8.7
189.12674	1.8
191.10677	4.6
223.13345	4.2
227.12791	2.8
227.18031	2.0
245.19069	2.8
249.14859	2.1
255.17482	2.2
257.19016	2.9
273.18512	27.0
274.18866	1.3
275.20132	20.4
291.19562	100.0
292.19830	2.4
293.21057	3.7
309.20615	5.5
325.53864	1.3
395.29749	1.6
397.27219	1.8
461.28983	2.4
509.48953	1.4
547.37494	1.6
565.38849	4.3
583.40039	4.1
595.24597	5.1
600.95923	1.4
636.43988	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46176	1.1
53.03941	5.2
54.54693	1.4
55.01869	8.1
55.03187	1.2
55.05513	44.0
56.05857	1.5
57.03427	3.0
57.07057	1.5
59.68142	1.0
65.03951	2.6
67.05506	41.6
69.03419	4.2
69.07063	20.3
71.01335	1.3
71.04987	4.7
71.11642	2.6
79.05496	46.9
81.03421	13.2
81.07060	65.0
83.04987	13.3
83.08620	44.0
85.02905	3.1
91.05479	38.7
93.07050	34.9
93.07632	2.7
95.04970	56.2
95.08603	29.0
97.06538	21.8
97.10171	19.3
99.08086	2.8
103.05486	1.8
105.07030	35.5
105.07753	1.7
107.04950	19.2
107.08595	31.0
109.06514	13.4
109.10154	13.9
111.04442	5.7
111.08091	10.7
113.05994	1.4
115.05486	1.2
115.07556	3.6
117.07027	18.5
119.08582	34.1
121.06521	10.6
121.10144	22.3
123.08078	16.0
123.11702	2.8
125.09623	17.5
128.06300	1.8
129.07002	6.5
131.08592	20.2
133.06454	3.2
133.10139	23.3
135.08058	9.3
135.11702	12.6
137.09628	4.6
139.11168	3.5
141.06973	2.4
142.07764	1.6
143.08536	5.0
145.06476	3.6
145.10121	28.4
147.08051	9.9
147.11703	15.0
148.64917	1.2
149.08630	1.1
149.09615	32.2
149.13336	3.0
151.11200	3.1
153.09151	3.7
153.12776	1.7
155.08572	5.4
157.10182	5.8
159.08029	1.6
159.11681	12.8
161.09608	7.3
161.13246	4.0
163.11189	44.9
165.09151	4.0
165.12767	5.6
167.08653	1.2
169.10109	5.8
170.15497	1.2
171.10301	1.6
171.11632	5.9
173.09637	8.0
173.13333	6.8
175.11200	4.1
175.14758	1.8
177.12784	6.0
178.43530	1.1
179.10611	1.2
181.12270	4.8
183.11803	3.0
185.09627	1.2
185.13286	1.6
187.11197	3.5
189.11235	19.1
189.12747	1.8
191.10699	5.3
193.12250	4.1
195.11899	1.4
197.13289	2.5
199.14824	1.5
201.12720	2.1
205.12238	2.7
207.13910	1.7
209.11676	2.0
213.16336	2.0
215.17882	1.9
219.13831	1.4
223.13289	38.0
224.13730	1.8
227.12816	5.7
227.17986	2.3
229.19557	4.3
239.17885	10.6
247.20537	2.6
249.14883	2.4
255.17549	2.1
257.18988	12.3
263.20032	1.8
273.18521	19.2
275.20071	100.0
276.20358	4.7
286.86414	1.3
291.19543	76.5
292.19977	3.5
293.21115	94.5
294.21301	2.9
296.22223	1.3
309.20605	25.9
309.23978	2.1
463.52539	1.4
468.28241	1.3
560.76239	1.4
583.39563	3.3
601.41431	1.7
636.40564	2.1
640.43646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01875	0.3
55.05256	0.2
55.05514	2.3
56.68052	0.1
57.03443	0.6
57.07077	3.1
59.92213	0.1
61.02923	0.8
61.87974	0.1
65.03928	0.6
67.05496	0.3
69.03431	1.7
69.07079	0.1
70.06591	0.2
71.04987	0.4
71.23928	0.2
73.02910	0.3
73.06552	0.7
79.05499	0.2
81.03426	0.9
81.07050	0.3
82.59712	0.1
85.02905	7.3
86.03294	0.1
87.04483	0.1
91.03952	0.4
91.05463	0.2
93.03408	0.2
93.07043	0.2
95.04993	0.1
95.08603	0.2
96.56656	0.1
97.02898	2.4
99.04465	0.4
103.03989	0.1
105.07016	0.2
107.08613	0.2
109.02906	0.9
109.10137	0.3
111.04478	0.2
113.96228	0.1
118.25047	0.1
119.04893	0.1
121.02875	1.7
121.03896	0.2
127.03915	1.8
133.10117	0.1
137.05975	0.2
145.04965	1.6
147.04420	0.2
149.02345	100.0
150.02708	1.2
161.80627	0.1
163.06021	0.4
167.03404	2.2
167.07101	0.2
173.05969	0.2
177.05441	0.1
190.04993	0.9
203.07056	0.4
205.08604	22.7
206.08987	0.5
221.08110	1.3
223.09612	0.3
229.14484	0.2
261.19281	0.1
267.15891	0.2
277.14355	14.1
278.14728	0.3
290.72205	0.1
295.15436	2.2
316.05579	0.1
331.08176	0.2
421.25833	0.3
521.25043	0.1
579.81750	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	636.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01866	6.9
55.05260	1.5
55.05513	22.8
57.03432	2.1
57.07070	1.7
60.76006	0.8
63.50850	1.0
65.03942	2.0
67.05171	1.8
67.05508	25.9
69.03428	3.6
69.07070	12.2
69.90419	4.8
71.04996	2.9
71.08639	1.8
79.05494	30.7
81.03436	5.0
81.07062	55.3
82.07382	2.1
83.04990	7.0
83.08629	14.0
85.02892	1.6
85.06568	1.8
89.06040	1.2
91.05490	23.3
93.07050	24.9
95.04972	18.5
95.08612	16.9
95.40893	1.0
97.02871	1.7
97.06548	4.8
97.10175	18.9
99.08089	1.6
103.05442	1.1
105.06387	1.5
105.07040	20.1
107.04964	10.4
107.08604	19.4
109.06528	9.8
109.10181	7.2
111.04464	6.2
111.08099	5.3
115.05509	1.2
116.51701	0.9
117.07027	12.1
119.04886	1.1
119.08586	27.4
121.06514	6.0
121.10141	11.4
123.04433	1.5
123.08093	7.3
123.11668	1.3
125.09650	13.8
128.06238	1.6
128.35374	0.9
129.07019	5.1
131.08583	11.8
133.06468	2.1
133.10117	11.0
135.08057	6.7
135.11671	6.7
137.09648	3.4
143.08534	5.8
145.06499	2.2
145.10120	15.6
147.08061	11.6
147.11736	5.0
149.09621	11.1
149.13264	2.3
151.11182	1.8
153.09148	5.1
153.12787	3.3
155.08553	2.2
157.10156	5.0
159.08087	1.9
159.11690	7.7
161.09653	5.8
161.13217	1.9
163.11183	11.4
165.09149	5.1
169.10124	2.6
171.11690	3.7
173.09625	3.3
173.13298	2.4
175.11168	2.0
175.14789	1.0
177.12819	2.2
181.12242	2.9
185.09688	1.4
185.13240	2.4
187.11165	1.7
189.11278	11.6
189.12790	2.2
191.10608	5.2
191.14394	1.2
193.12387	1.6
195.11719	2.0
195.13857	2.2
199.11200	1.2
199.14859	1.3
209.11656	1.2
209.13391	1.3
223.13307	5.7
227.12819	4.6
227.17896	2.5
229.19414	1.4
237.16429	1.8
239.17964	1.3
245.19016	3.2
249.14943	3.7
255.17435	3.4
257.19055	1.8
273.18491	27.8
274.18893	2.4
275.20050	15.9
276.20526	1.5
291.19553	100.0
292.19952	4.8
293.21152	5.4
309.20660	5.4
411.21790	1.3
485.32455	2.0
538.40076	1.2
547.38177	1.2
583.39923	1.8
636.41272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10766	0.7
53.03952	5.0
55.01875	10.2
55.05514	40.6
57.03427	3.5
57.69109	0.8
65.03943	1.7
67.05506	42.7
69.03441	4.0
69.06722	1.4
69.07068	21.2
70.14059	4.5
71.04992	3.9
75.16051	0.9
79.05495	38.6
81.03419	15.8
81.07059	63.7
83.04980	11.7
83.08624	39.5
85.02900	3.4
85.06539	3.3
86.12434	0.9
91.05482	34.4
93.07046	36.0
95.01338	1.2
95.04972	49.5
95.08606	24.8
95.09046	0.5
97.06537	12.4
97.10172	20.0
99.04469	1.6
99.08070	3.6
101.59564	1.0
103.81451	0.9
105.07031	34.6
107.04953	19.7
107.08601	27.0
108.76892	0.9
109.06521	14.3
109.10165	13.1
110.23808	0.9
111.04453	6.6
111.08086	11.0
117.07019	16.9
119.08582	33.9
121.06503	11.7
121.10139	21.4
123.08073	15.9
123.11697	3.1
125.06060	1.2
125.09638	16.9
127.07556	1.4
129.07022	6.5
131.04924	1.3
131.08574	18.8
133.06480	3.3
133.10130	22.9
135.08051	8.0
135.11679	11.8
137.05928	0.9
137.09660	7.1
139.11192	2.6
141.06981	1.8
141.09111	1.0
142.07788	1.2
143.08537	5.1
145.06483	3.1
145.09033	1.6
145.10129	29.5
147.08087	8.0
147.11682	13.4
149.09624	29.1
149.13261	3.5
151.11200	3.8
153.09119	3.4
153.12767	2.5
155.08589	5.8
155.32664	0.8
157.10146	7.5
159.08070	2.3
159.11703	11.6
161.09618	6.3
161.13297	3.7
163.11183	38.9
165.09151	4.6
165.12750	4.9
169.10107	3.5
169.68166	1.0
171.10226	1.9
171.11708	5.3
173.09628	8.4
173.13246	3.3
175.11186	5.3
175.14882	1.8
177.12779	4.2
181.10085	0.9
181.12215	4.7
183.11716	4.3
185.13293	2.2
187.11197	4.6
189.11223	19.2
189.12746	1.5
189.16243	1.1
191.10672	5.5
191.14290	1.2
193.10175	0.9
193.12239	4.2
197.13277	3.2
199.14850	1.0
201.12762	2.4
201.16309	1.0
205.12233	3.0
209.11713	2.4
210.13834	0.8
211.13196	1.1
213.16451	1.6
215.14461	1.3
215.17923	1.1
219.13721	1.3
223.13301	35.2
227.12741	6.2
227.17839	1.3
229.19542	4.9
233.15494	1.1
239.17952	7.8
245.18967	2.1
247.20563	2.3
249.14957	0.9
249.18420	1.3
255.17412	2.2
257.19003	12.6
263.20053	1.6
273.18503	18.9
275.20068	100.0
276.20468	2.0
290.18854	1.5
291.16165	1.9
291.19547	78.5
293.21118	95.5
294.21466	2.0
309.20618	27.6
368.93628	0.9
437.30615	1.0
463.01025	1.0
565.38666	2.9
583.39813	4.0
636.40692	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	636.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.1
56.96587	0.2
57.03431	0.6
57.07075	2.8
61.02924	0.7
65.03947	0.6
67.05513	0.9
69.03442	1.6
69.07071	0.3
70.06596	0.3
71.04985	0.2
71.60033	0.2
73.02923	0.2
73.06555	0.5
79.05483	0.3
81.03423	1.2
81.07056	0.5
85.02908	6.7
86.09750	0.2
87.04475	0.3
91.03973	0.3
91.05504	0.5
93.07029	0.4
95.04952	0.4
95.08594	0.2
97.02905	1.7
97.10163	0.2
99.04438	0.4
105.07040	0.4
107.08592	0.4
109.02863	0.6
109.06528	0.2
109.10152	0.6
112.12003	0.2
119.08588	0.3
121.02877	1.6
121.10074	0.2
122.40501	0.2
123.04401	0.2
127.03922	1.6
137.05931	0.3
145.04967	1.8
147.04350	0.2
149.02347	100.0
150.02716	1.4
157.10175	0.2
159.11635	0.2
163.04089	0.2
163.05998	0.3
167.03416	2.2
167.06949	0.3
168.50919	0.2
177.05504	0.3
190.04984	1.1
203.07066	0.6
205.08607	27.0
206.09016	0.4
210.99289	0.3
212.14890	0.2
221.08092	1.9
229.14275	0.4
267.15961	0.5
275.17215	0.2
277.14359	16.8
278.14716	0.7
295.15405	3.3
316.05426	0.2
349.56888	0.2
351.75507	0.2
373.16806	0.2
421.25626	0.5
529.18701	0.2
536.82898	0.2
636.31042	1.0
637.22174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.3
55.05518	24.3
56.73471	2.3
57.03429	3.4
57.83961	1.9
59.82223	2.2
61.02927	4.0
62.67239	1.8
67.05506	13.3
68.46902	1.8
69.03439	5.0
69.07066	7.4
69.95753	12.0
79.05499	14.4
79.83614	1.8
81.03414	3.4
81.07059	19.0
83.08617	18.3
85.02904	9.9
85.06557	1.9
89.50462	2.4
91.05467	11.9
93.07034	7.1
95.04966	17.0
95.08601	9.7
97.02869	2.8
97.10168	14.5
98.21449	3.9
105.07019	10.8
107.04955	5.2
107.08594	9.7
109.06496	4.3
109.10166	4.2
111.08055	2.8
117.07001	5.4
119.08599	9.5
121.06506	8.3
121.10128	6.0
123.08070	7.7
125.09626	10.5
129.06987	2.7
131.04875	2.8
131.08606	5.6
133.10130	7.4
135.08028	5.6
135.11642	3.1
137.09679	2.0
141.63310	1.9
145.10133	4.9
147.08075	4.7
147.11642	2.6
149.02328	2.1
157.10156	3.7
159.08163	2.1
159.11789	3.4
161.09622	6.2
163.11143	10.9
170.05968	3.4
175.11264	2.8
177.12663	3.5
189.11229	9.1
209.09706	3.0
223.13297	9.4
223.50014	2.0
240.06577	4.9
263.16473	3.4
268.13351	9.0
273.18546	14.7
291.19586	12.2
310.14410	3.0
329.13849	2.7
350.13916	5.1
368.14941	21.1
370.16513	4.7
386.15979	5.1
392.22430	3.1
420.21710	23.9
429.22464	3.6
438.22772	100.0
456.23840	29.0
458.10336	2.3
635.37305	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	635.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92583	2.5
53.03953	2.6
55.01867	7.2
55.05519	14.3
59.08516	2.6
61.99298	3.0
62.46061	2.5
64.20274	2.9
67.05511	27.3
69.03432	10.9
69.07066	9.9
69.85816	5.1
69.86207	14.7
71.04992	4.1
72.32559	2.6
73.02937	3.3
79.05499	26.5
81.03418	6.8
81.07053	34.6
82.10671	2.5
83.04981	8.2
83.08598	12.9
85.02912	19.3
85.23496	2.5
87.04478	3.0
91.03938	2.7
91.05476	27.1
93.07054	27.8
95.04974	34.1
95.08598	16.9
97.02893	5.6
97.06505	4.7
97.10170	5.8
105.07034	20.5
107.04940	10.8
107.08588	21.1
109.10175	10.9
111.04440	3.9
117.06998	13.4
119.08585	20.9
121.06494	9.5
121.10147	9.3
123.08047	9.9
125.09614	5.6
127.03914	4.6
129.06970	3.9
131.08560	15.3
133.06490	6.3
133.10172	15.2
135.08081	5.7
135.11713	6.0
137.09671	6.0
143.08568	7.2
145.10100	16.1
147.08044	12.6
147.11743	4.8
148.03830	3.6
148.64967	2.7
149.02385	3.3
149.09615	10.7
157.10109	6.2
159.08086	4.8
159.11798	10.1
161.06078	4.5
161.09625	8.0
161.13255	4.2
163.11185	13.0
169.08679	7.8
171.08078	3.5
171.11662	5.0
173.09621	3.8
173.13206	2.4
175.03879	5.6
175.11302	4.3
177.12741	5.5
187.11215	3.2
189.12695	3.0
191.14325	6.1
195.11667	4.3
202.05070	4.4
205.12178	5.9
223.13284	29.4
245.19043	4.1
250.12274	5.6
255.17369	15.6
263.20053	3.5
266.09207	2.7
273.18500	67.0
285.11212	5.9
291.12399	4.5
291.19543	100.0
292.19931	4.9
294.11142	16.7
318.13489	12.4
338.17480	8.2
338.67899	3.7
352.15399	4.5
356.18680	6.3
375.19830	2.9
384.19559	6.1
392.22391	7.4
402.20712	59.9
411.21564	5.5
420.21719	71.5
421.22079	3.6
438.22803	38.2
456.24164	5.0
635.36011	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	635.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20137	1.0
53.03946	3.2
54.26874	1.2
55.01878	5.0
55.05517	13.0
57.03445	2.1
58.44526	1.0
60.11988	1.1
65.56985	0.9
66.64824	0.9
67.05507	15.9
69.03433	7.6
69.07077	8.8
69.35230	3.7
69.35649	7.0
69.79641	1.0
71.04993	2.5
74.17516	1.0
74.42030	1.1
79.05489	14.9
81.03417	7.3
81.07064	19.5
83.04996	4.3
83.08199	0.9
83.08620	5.7
85.02898	6.3
91.05489	17.6
93.07052	18.5
95.04961	7.0
95.08607	8.7
97.02888	5.7
97.06556	2.5
97.10172	6.0
105.07027	15.5
107.04967	9.4
107.08584	12.3
109.02924	5.3
109.06532	3.2
109.10169	4.3
111.04440	2.3
111.08105	1.5
115.05502	1.6
117.07018	10.6
119.08562	11.0
121.02917	1.5
121.06525	8.1
121.10171	6.8
123.04432	4.0
123.08060	2.3
123.11708	1.0
125.02376	1.7
125.09620	5.3
127.03911	6.3
128.06194	1.9
129.07019	5.4
131.08575	16.8
132.04471	3.3
133.06508	4.3
133.10127	6.7
135.08055	8.6
135.11758	2.1
137.05949	1.4
137.09641	3.5
143.08560	4.1
145.04996	2.2
145.06454	2.9
145.10127	9.3
146.10930	1.2
147.04375	1.8
147.08057	5.1
147.11705	1.8
149.06029	1.8
149.09634	5.5
149.13313	1.9
151.11151	1.1
153.07005	1.4
153.09074	2.0
155.08621	1.8
157.06534	1.1
157.10158	4.4
159.08096	4.7
159.11745	3.9
161.06035	2.6
161.09639	4.4
161.13217	1.7
163.03888	4.0
163.07541	3.5
163.11169	10.3
165.09106	1.7
165.98463	1.0
169.10220	1.4
171.08081	1.4
171.11719	3.9
173.09741	2.5
175.03940	1.8
175.07582	1.4
175.11192	2.7
177.05533	1.7
177.09105	1.6
179.07021	1.2
179.10674	1.6
181.06671	1.2
183.08105	1.9
184.49165	1.1
185.13307	1.4
186.05505	2.3
187.07576	2.4
187.11209	1.4
189.09259	1.6
189.11214	3.7
193.12312	2.3
202.05020	8.9
203.10812	1.4
207.10124	2.1
214.08688	1.1
215.10709	1.5
227.10846	1.6
247.13356	1.2
261.18369	1.5
265.05826	1.1
271.16986	3.0
273.18591	3.5
287.16455	1.4
289.17987	11.7
291.19437	1.5
307.19055	5.5
327.84119	1.0
339.27402	1.2
348.16220	1.6
352.15500	1.1
364.15402	2.5
376.19156	12.1
385.20074	1.7
392.22131	2.4
396.19189	1.4
397.20139	1.4
402.20758	11.5
411.21622	5.8
415.21109	10.6
420.21701	100.0
421.22116	2.6
433.22372	5.4
438.22787	26.5
451.23300	5.4
456.23947	1.1
459.78885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.60901	0.3
55.01879	2.2
55.05518	3.4
57.03428	1.0
59.04998	0.3
59.28855	0.3
61.02920	0.9
65.03930	0.7
65.78976	0.3
67.05510	7.4
69.03429	2.3
69.07073	4.0
71.04982	1.7
71.59821	0.6
79.05499	6.5
81.03428	2.3
81.07066	9.4
83.04978	1.4
83.08626	1.7
85.02425	0.4
85.02915	5.4
85.06525	0.5
91.03978	0.4
91.04959	0.7
91.05488	6.9
93.07047	6.4
95.04982	2.7
95.08622	4.5
97.02911	2.2
97.06542	0.8
97.10160	0.8
99.04466	0.5
99.08133	0.3
104.04974	0.5
105.07045	6.9
106.07864	0.3
107.04986	2.4
107.08608	5.2
109.02877	0.8
109.06520	2.3
109.10160	6.7
111.04452	1.4
111.08100	0.7
113.05930	0.4
115.05433	0.7
117.07010	3.2
119.04970	0.4
119.08605	3.9
121.02872	0.3
121.06521	2.3
121.10168	2.3
122.07288	0.4
123.04414	0.7
123.08067	1.0
123.11697	1.2
125.09615	0.6
127.03920	1.0
128.06238	0.6
129.06999	1.9
130.06557	0.7
130.07771	0.6
131.04926	0.5
131.08589	4.8
132.04463	4.9
133.06525	2.0
133.10150	6.2
135.08049	1.5
135.11691	1.1
137.02361	0.7
137.06041	0.5
137.09641	1.1
139.03915	1.7
141.06987	0.4
143.08575	1.6
144.08121	0.4
145.04973	0.8
145.06496	1.2
145.10159	3.5
146.05998	1.1
146.07210	0.5
146.10924	1.3
147.04408	0.7
147.08008	2.1
147.11711	1.7
148.03943	1.0
149.02322	0.8
149.05988	0.8
149.09625	1.5
149.13152	0.4
151.11230	1.9
155.08633	0.6
156.04449	0.4
156.08197	0.4
157.06522	0.5
157.10156	1.4
158.06047	2.1
158.07141	0.4
159.08075	1.5
159.11688	1.4
160.03960	1.7
161.09648	2.4
161.13254	0.7
163.03926	0.9
163.07605	0.7
163.11163	1.1
169.10141	0.8
170.06009	3.7
171.11737	1.0
172.03955	1.1
172.07555	1.0
173.09599	0.5
175.03931	0.9
175.11203	0.6
176.03383	0.5
177.12784	0.7
183.11726	0.4
184.07585	0.5
185.13286	0.6
186.09200	1.4
189.09171	0.4
189.12828	0.7
193.12216	0.5
195.11726	0.4
196.07628	0.5
198.09203	1.1
199.11224	0.4
202.04984	1.0
203.07043	0.5
207.13843	0.4
212.07106	0.5
212.10713	0.4
215.06947	0.4
245.19078	1.1
250.26085	0.4
255.13924	0.8
255.17319	0.4
263.20261	0.4
264.13928	0.5
269.11945	0.4
273.18536	2.2
274.19260	0.9
282.14899	1.6
291.19577	3.3
393.20630	1.4
394.20160	0.6
402.20605	0.5
411.21713	11.2
420.21756	3.1
429.22638	1.7
434.07614	0.4
438.22803	100.0
439.23166	1.7
456.23828	1.3
629.38226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
54.33835	4.0
55.01860	14.5
55.05506	24.6
65.03930	4.5
67.05505	43.6
67.99833	5.0
69.07058	21.4
71.44923	8.5
71.45267	5.9
77.11531	4.3
79.05507	38.2
81.03414	10.5
81.07065	77.4
83.04952	9.3
83.08614	18.5
90.49535	4.7
91.05473	34.2
93.07048	33.4
95.04961	19.5
95.08610	23.4
97.06533	12.6
97.10171	8.5
105.07028	38.2
107.04941	17.2
107.08588	29.2
109.06519	28.0
109.10168	13.8
117.06988	11.1
119.08585	32.8
121.06542	5.6
121.10153	14.5
123.08092	7.8
125.09634	9.2
126.00356	4.9
131.08580	16.2
133.10132	30.1
135.08041	11.1
135.11685	8.9
137.09663	8.7
141.06989	5.1
145.10130	16.3
147.08109	5.0
147.11667	10.1
149.09604	14.7
149.13292	6.8
151.11143	7.3
159.11700	16.7
163.11172	16.5
166.15253	5.0
171.11656	7.7
173.13223	5.0
177.97672	5.7
189.11304	5.4
193.12230	18.0
223.13264	10.4
257.18948	12.2
275.20071	100.0
283.37091	5.6
289.18030	40.4
291.19556	30.0
292.19955	8.0
293.21103	38.6
307.18988	9.0
370.33862	4.8
563.37854	7.7
581.38013	9.0
599.39423	7.0
634.41821	9.5
635.41339	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	635.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.5
55.05515	29.2
55.71379	2.4
57.03416	3.5
65.03932	2.3
67.05502	15.1
69.03442	5.7
69.07067	10.0
71.04997	4.1
79.05496	18.2
81.03417	6.1
81.07071	21.8
83.04975	3.5
83.08625	18.5
85.02904	11.1
91.05483	15.3
93.07031	11.8
95.04977	24.2
95.08598	6.7
96.37715	2.1
97.02888	4.7
97.06512	2.2
97.10173	20.3
99.04497	2.5
105.07040	14.6
107.04950	5.6
107.08608	11.0
109.02872	2.2
109.06511	2.6
109.10163	6.2
111.08092	4.5
117.07029	7.0
119.08572	13.3
121.06507	6.7
121.10132	5.3
123.08065	8.9
125.09614	14.6
127.03891	2.7
128.06207	3.2
129.06993	3.3
131.04970	2.4
131.08566	9.0
133.06441	4.7
133.10130	6.3
135.08051	4.3
143.08525	2.8
145.06429	3.7
145.10138	7.4
147.08047	4.8
147.11685	2.5
149.09627	4.7
151.64674	2.1
156.04510	2.8
157.10133	4.0
159.07988	2.9
159.11711	4.6
161.09644	8.0
163.11212	13.4
170.06024	5.4
175.11229	2.4
185.04750	3.9
189.11186	11.3
197.04636	2.4
212.06914	3.6
222.05521	2.8
223.13277	7.4
224.10684	3.2
228.23621	2.7
240.06584	6.0
255.17487	2.3
268.13309	15.9
273.18521	12.8
291.19516	12.9
292.20486	5.1
308.12863	2.8
322.14496	2.5
350.14008	5.0
368.14941	20.4
369.15256	3.7
386.16251	2.7
392.22137	4.1
411.21552	3.2
420.21838	21.0
429.22681	3.9
438.22772	100.0
456.23807	29.4
635.36041	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	634.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42901	0.4
53.03939	1.5
55.01875	4.9
55.05511	14.5
57.03429	2.0
57.07070	0.5
59.04998	0.6
64.17687	0.5
65.03934	0.5
67.05502	13.5
69.03431	3.3
69.06722	0.7
69.07070	7.9
71.04976	1.2
71.61139	0.7
77.03930	0.6
79.05493	18.2
81.03423	4.1
81.07056	28.8
82.07391	0.5
83.04981	4.0
83.08620	9.5
85.02904	0.9
85.06537	1.2
91.05484	12.3
93.07043	12.2
95.04968	11.9
95.08609	7.1
97.02885	1.2
97.06544	2.4
97.10166	10.7
99.08111	0.6
103.05463	0.6
105.03413	0.8
105.06384	0.7
105.07037	9.5
107.04957	7.0
107.08595	9.6
109.06521	6.0
109.10155	4.3
111.04461	3.8
111.08111	2.3
115.05445	0.9
117.07011	7.5
119.04929	1.3
119.07790	0.9
119.08584	13.0
121.06493	5.4
121.10146	5.4
123.04431	0.8
123.08054	4.1
123.11734	0.5
125.09634	8.1
128.06194	0.8
129.06989	3.3
130.07837	0.8
131.04878	0.6
131.08568	7.7
132.05713	0.4
133.06509	2.6
133.10138	5.1
135.04468	0.6
135.08067	4.0
135.11690	3.1
137.09621	2.0
139.11179	0.5
141.07002	0.7
143.08559	3.3
145.06487	1.4
145.10121	8.6
147.08055	8.5
147.11699	1.7
149.09630	5.4
149.13235	0.6
151.11220	0.5
153.09099	2.6
153.12747	0.9
155.08525	0.9
157.10168	3.1
159.08023	1.4
159.11685	2.3
161.09612	4.6
161.13243	0.9
163.11172	5.8
165.09128	2.9
169.10153	0.9
171.08017	0.5
171.10361	0.5
171.11630	2.1
173.09627	2.2
173.13329	0.7
175.11230	2.2
177.09189	0.6
177.12688	1.0
181.12262	2.1
185.13268	1.2
187.11234	1.0
189.11215	7.6
189.12738	0.9
191.10663	2.9
193.12213	1.6
195.11731	0.7
199.11147	0.9
199.14973	0.5
205.12285	0.8
209.11676	0.9
213.12842	1.1
223.13268	7.2
227.12741	3.0
227.18007	1.4
231.17676	0.5
237.16382	1.0
245.19002	1.6
249.14935	3.7
255.17455	3.1
257.18945	0.6
263.19977	1.0
273.18500	23.9
274.18872	0.6
275.20102	4.0
289.18039	2.6
291.19543	100.0
292.19894	3.1
293.21085	3.2
307.19321	0.6
309.20633	3.1
416.02069	0.5
563.37115	1.1
581.38458	5.6
599.39294	2.7
634.40326	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95599	0.3
53.03870	0.3
55.01816	2.9
55.05450	6.4
55.05743	0.8
56.04966	1.2
56.05213	0.3
57.07016	0.5
58.99525	6.1
58.99844	0.6
59.04958	0.4
65.03875	0.6
67.05436	6.3
67.05822	0.5
68.04970	0.3
69.03369	0.8
69.07068	2.8
70.02903	0.6
70.06542	0.4
70.89059	0.6
71.04955	0.8
71.08564	4.6
73.01073	0.4
74.00597	2.6
76.02230	23.4
76.02631	1.5
76.04000	2.1
79.05492	5.4
79.05907	0.8
80.05025	2.0
81.03349	1.1
81.07062	6.6
82.06482	1.0
83.04987	2.7
83.06118	3.0
83.08618	5.1
84.04508	10.5
84.04964	0.7
85.01079	0.6
85.02857	0.7
85.03976	0.7
85.06483	0.8
85.10128	0.6
86.00576	1.1
86.99044	1.9
88.02148	1.3
91.05492	3.2
93.07046	5.4
94.06505	1.5
95.04987	2.2
95.08607	4.3
96.04441	0.6
97.01125	2.5
97.02856	0.6
97.06453	1.3
97.10171	4.8
98.00620	0.8
99.02653	0.5
99.05505	1.1
99.08087	4.1
100.02145	0.8
102.03721	0.4
102.28931	0.3
105.07023	2.8
106.06509	0.6
107.04950	2.2
107.06047	0.5
107.08596	4.5
108.04396	0.4
109.02807	0.7
109.06422	1.0
109.07566	0.9
109.10162	3.6
110.05950	0.5
111.02674	2.7
111.04422	1.8
111.08063	2.6
112.02213	3.0
112.03928	0.4
113.00584	2.2
113.02896	0.9
113.05906	0.3
113.09590	0.4
114.03680	1.1
115.02052	0.4
116.01685	10.7
117.06930	1.2
119.08577	2.8
120.08035	0.7
121.06422	1.1
121.10149	2.0
122.05941	0.4
123.02585	1.3
123.04347	0.4
123.08059	2.0
124.02178	1.7
124.11215	0.4
125.00529	0.4
125.04155	0.5
125.09651	4.0
126.03752	4.2
127.02063	0.8
128.06186	0.4
129.06578	3.3
130.05016	5.4
131.04491	1.0
131.08578	1.8
133.06415	0.4
133.10158	2.6
134.09544	0.4
135.02571	1.3
135.07964	1.1
135.11671	2.4
135.36024	0.3
136.03836	0.5
137.03008	0.3
137.04124	1.3
137.09531	0.9
138.03767	1.6
139.02058	2.0
139.03139	0.8
140.01558	1.1
140.05241	0.6
141.04747	1.1
142.03218	3.3
143.02689	0.4
143.08556	0.7
144.00142	0.4
144.01135	5.4
145.06052	2.0
145.10095	1.8
147.07967	0.7
147.11591	0.7
148.11154	0.7
149.04126	0.8
149.09523	1.5
150.03654	0.5
151.05763	0.9
151.11070	1.0
152.05244	0.6
153.06497	0.8
153.09048	0.4
153.11606	0.4
153.12730	3.3
154.06844	0.5
155.08093	0.8
155.10616	0.7
157.10097	0.7
159.11655	0.5
160.50392	0.4
161.09630	2.0
162.02211	12.8
162.03593	0.8
162.12700	0.7
163.11205	2.7
165.07318	0.8
165.12817	0.4
166.12160	0.4
167.10617	0.8
170.02721	1.8
170.09612	0.4
171.08275	1.3
171.10014	0.4
173.09482	0.4
175.11180	0.4
176.14287	0.4
177.03281	3.1
177.07272	0.8
177.12746	0.6
179.04854	12.9
179.08817	1.1
179.10561	0.8
180.08469	0.4
181.06059	1.0
181.08551	0.6
181.12187	1.8
185.03819	3.0
187.05467	2.9
188.03732	0.8
189.03203	0.7
189.11147	1.5
191.10640	0.4
193.06924	0.6
193.12268	3.7
194.09991	6.2
195.08443	2.1
195.09970	0.6
196.11562	6.8
197.09903	0.7
199.07072	0.7
204.13864	0.6
205.06532	0.4
206.09944	0.6
207.08305	0.7
210.09357	0.5
211.07744	0.8
214.12617	0.6
215.04810	1.0
218.09926	0.4
219.08293	0.5
221.09834	0.8
222.09459	1.8
224.11041	2.1
225.09407	1.1
227.12766	2.5
229.06435	0.5
230.11899	0.6
231.04346	6.9
233.05896	6.4
236.11006	2.1
237.09468	0.4
238.12585	1.8
240.10535	3.3
241.11151	1.1
242.12134	1.9
245.05873	1.0
245.18826	0.6
248.10977	0.6
250.12630	0.5
250.15138	0.3
251.11067	0.6
254.12097	4.3
256.13629	1.0
257.07666	0.6
263.19980	0.8
266.12079	3.0
268.13632	1.0
273.18451	0.9
277.16159	1.0
282.11533	0.6
284.13065	1.4
290.08069	0.5
290.21118	0.5
291.06531	0.4
291.19534	7.4
293.20892	0.8
295.17148	0.6
299.14252	2.6
305.15591	1.0
308.09119	7.3
308.22354	0.6
309.20645	3.6
311.14249	5.7
316.10437	0.4
320.20288	0.9
321.18643	0.6
323.16852	8.6
325.22345	0.6
330.18796	0.4
331.17255	0.6
339.13742	0.9
340.19189	0.4
341.18188	0.6
343.13129	0.7
345.14777	1.4
348.19910	9.6
349.18292	3.9
357.14786	10.6
366.20978	18.4
367.19342	9.2
369.14792	2.0
376.19141	0.8
384.21997	6.5
387.15982	0.8
394.20349	2.4
402.23138	1.3
405.21799	0.4
412.21466	0.4
423.22986	0.5
441.23965	0.5
449.07797	0.4
451.22626	3.2
452.21240	0.8
469.23694	24.7
487.24741	100.0
488.25293	2.3
505.25476	1.2
523.24963	1.0
535.24908	1.1
541.25848	0.6
559.26843	8.8
575.10162	0.4
598.27924	4.2
616.29163	2.5
617.27667	0.5
634.30048	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	633.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31626	1.4
53.03946	6.8
55.01871	6.9
55.05516	21.0
57.03427	3.5
59.04981	2.0
65.03949	1.8
67.05167	2.8
67.05505	36.0
69.03432	8.6
69.07078	8.1
69.54943	6.8
69.55350	4.5
71.04995	2.8
75.98489	1.5
79.05496	45.9
81.03424	7.7
81.07059	95.9
83.05003	7.3
83.05410	1.7
83.08619	11.6
85.02920	4.3
91.05482	25.7
93.07039	21.7
95.04958	17.4
95.08614	15.0
97.02903	5.5
97.06554	3.6
97.10175	9.8
99.08121	1.6
105.07028	16.3
107.04948	8.5
107.08592	15.3
109.06519	44.2
109.10152	16.4
111.04453	5.7
111.08125	1.9
115.05452	2.9
117.07015	13.8
119.04951	2.0
119.08590	31.0
121.06531	9.5
121.10144	9.9
123.04466	2.1
123.08086	5.5
125.09641	8.3
128.06242	2.0
129.07034	7.9
131.08582	14.0
133.06522	4.2
133.10135	6.1
135.08054	7.4
135.11726	5.4
137.09644	9.2
141.07057	1.6
142.07793	2.1
143.08583	6.8
145.06467	2.8
145.10095	15.6
147.08041	13.7
147.11725	3.7
149.09648	6.3
149.13213	2.2
153.09145	3.1
157.10172	7.1
159.08005	1.9
159.11719	4.3
159.57314	1.5
161.09573	7.9
161.13277	1.7
163.11232	6.6
165.09126	5.0
169.10170	3.2
171.08054	1.6
171.11656	4.2
173.09717	1.5
173.11736	1.5
173.13324	2.5
175.11197	3.2
181.12254	1.6
185.13327	4.1
189.11261	4.8
223.13252	3.3
227.12912	1.9
229.14497	2.9
239.12767	2.6
249.14867	5.7
254.54597	1.4
273.18503	35.3
289.18008	4.9
291.19562	100.0
302.03110	1.4
307.19089	2.0
308.19901	2.0
344.95844	1.6
395.91364	1.6
576.54059	1.5
631.21246	1.5
633.40106	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	633.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
56.05017	0.5
57.03433	0.5
58.43635	0.3
58.99583	0.5
61.02921	1.0
69.03433	2.9
70.21375	0.3
71.37790	0.8
73.02916	0.4
74.00648	0.6
76.02213	1.4
76.03992	1.1
81.03411	1.1
83.00226	0.3
83.06097	2.3
84.04506	10.8
85.02904	5.5
97.02904	2.0
99.05573	0.5
108.04447	0.5
109.07635	0.5
112.03967	3.1
116.01679	1.0
121.01051	0.9
123.04428	0.6
126.05499	0.4
127.03937	1.2
128.03415	0.5
129.06607	3.0
130.05009	13.2
132.04446	1.5
135.05464	0.4
141.00078	0.6
142.04987	0.6
143.04504	0.4
144.01106	0.5
145.05002	0.8
145.06099	1.0
145.47174	0.3
148.02132	0.9
148.03922	0.9
148.99405	0.6
149.00566	7.8
150.00073	0.7
151.02072	0.5
152.01556	0.4
153.06606	1.6
155.01630	0.6
155.04555	0.6
155.08119	0.6
160.00620	0.7
161.04680	0.7
162.02191	1.5
162.05482	2.1
163.03902	1.6
163.05109	0.7
166.00841	2.5
166.03099	0.4
167.01637	4.3
168.99536	3.5
171.05435	0.4
175.03250	1.1
175.04929	0.3
176.01723	3.3
176.94606	0.3
177.03223	0.4
177.99564	0.6
178.05020	0.9
179.01622	3.0
179.02997	0.4
179.04881	1.4
180.01137	1.9
181.06122	2.2
182.02670	0.4
186.00027	0.5
187.04932	0.7
188.05643	0.4
188.07166	0.4
192.01123	0.4
194.02713	37.5
195.01080	2.0
195.02827	0.5
199.07150	1.4
203.02730	2.9
204.01147	26.0
205.09760	0.4
206.02695	1.1
211.07170	0.7
212.03745	1.2
213.99556	1.1
221.03804	10.3
222.02251	2.4
232.00505	1.6
233.05980	0.4
238.06947	0.3
239.04837	6.1
240.03294	0.7
242.72876	0.4
249.03392	0.5
250.01802	0.4
251.04836	6.2
257.07590	0.6
260.05017	0.6
261.03214	0.8
279.04208	0.5
287.04919	0.6
297.05399	100.0
298.05710	1.1
306.05414	5.4
307.00455	0.6
307.03821	5.0
307.07138	0.7
308.08994	2.1
324.06494	11.3
332.07001	0.4
342.07559	25.0
363.06436	1.0
369.07358	1.5
378.07599	5.9
390.07599	1.7
396.08630	9.1
401.10065	1.7
426.09393	0.5
436.08511	0.5
444.10989	1.8
453.10788	11.0
454.09521	0.6
471.11826	25.2
472.11707	0.4
504.12732	1.1
558.13586	2.2
615.16327	0.4
633.17145	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	632.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01886	5.8
55.05258	1.1
55.05513	17.0
56.05043	1.7
57.03437	1.3
57.98798	0.9
58.99591	13.5
59.04976	0.8
67.05505	9.5
69.03432	2.5
69.07069	11.6
69.33002	2.3
69.33423	5.3
70.02952	1.1
70.06589	2.4
71.04990	1.1
73.01138	0.9
74.00679	3.4
76.02231	50.9
76.04003	2.8
79.05499	11.2
80.05031	2.1
81.03437	3.7
81.07058	13.2
82.06581	1.0
83.04989	6.0
83.06100	5.3
83.08617	12.2
84.04511	14.8
85.01128	1.0
85.02898	1.4
85.04029	1.1
85.06518	0.8
86.00659	2.2
86.99070	2.5
87.02757	0.9
88.02219	2.3
91.05479	6.2
93.07047	8.8
95.04963	3.4
95.08601	4.7
96.04479	0.8
97.01119	2.8
97.02879	0.9
97.06548	3.0
97.10177	18.2
98.20798	1.7
99.04482	0.8
99.05585	2.2
100.02200	1.3
105.07028	4.3
106.06618	0.8
107.04956	2.3
107.08606	8.6
107.79115	0.7
108.08112	1.3
109.06528	2.6
109.07667	1.6
109.10145	4.1
110.06071	1.0
111.02664	3.4
111.04456	3.2
111.08092	3.6
112.02183	2.6
112.03964	1.6
112.07603	2.1
113.00611	2.2
114.03763	2.5
116.01690	20.7
117.07037	3.3
117.49564	0.7
118.06539	0.8
119.07309	0.8
119.08577	5.8
120.08128	1.7
121.06510	2.9
121.10191	3.4
123.04478	1.1
123.08070	2.8
125.04228	0.9
125.09637	13.5
126.03760	2.0
129.06541	4.0
130.05002	8.3
131.08614	2.1
132.08087	1.3
133.08911	0.6
133.10155	2.6
134.09660	1.9
135.02585	0.7
135.08052	4.0
135.10548	1.3
135.11708	4.1
136.11256	1.4
137.02957	0.7
137.04185	1.1
137.06044	0.7
137.09596	2.0
138.03740	4.7
138.71992	0.7
139.02188	1.4
139.03201	1.1
139.04544	1.2
139.05710	0.7
139.13963	0.6
140.01660	2.0
140.07095	1.9
141.04808	1.3
142.03229	5.5
143.02773	1.6
143.08568	1.2
144.01172	10.2
144.08157	1.1
145.06084	4.6
145.08951	1.3
145.10153	2.5
146.09604	1.3
148.11238	1.4
149.02979	1.5
149.04167	1.0
149.09666	1.1
150.03731	1.4
151.05748	6.1
151.07581	1.2
152.05302	4.2
153.03679	1.0
153.06569	2.6
153.09163	1.4
153.12761	7.4
155.08220	2.4
157.10179	1.3
158.09714	1.1
159.08040	1.7
160.11292	1.7
161.09625	2.0
162.02209	25.5
163.07605	1.9
163.11192	4.0
166.06900	3.3
166.12318	2.0
167.05266	1.7
168.08435	7.0
170.02805	3.4
173.09660	1.3
175.11275	0.8
177.03409	2.9
177.07359	2.4
177.08989	0.9
178.06891	7.3
179.04860	40.0
179.07489	1.6
180.08441	1.2
181.06047	2.2
181.12292	3.2
185.03833	3.8
187.05350	4.1
189.11234	6.8
190.06873	0.7
191.05319	2.3
191.10670	1.4
192.08363	1.6
193.12257	11.0
194.08215	1.4
194.10007	23.6
195.08405	1.9
196.07950	3.6
199.07141	1.4
205.99989	0.7
211.07193	0.8
212.11029	1.4
215.04912	2.8
223.07986	0.8
227.12788	9.8
229.06514	1.3
231.04410	7.7
233.05904	13.9
238.12581	0.8
241.06480	0.7
243.17389	0.7
245.06023	2.3
248.11092	1.2
251.12134	2.4
260.11188	0.8
261.18469	1.6
266.12109	2.8
271.17047	1.1
273.18622	1.0
278.12122	1.5
281.09610	3.1
284.13336	1.6
289.17902	9.0
291.06555	1.2
291.19598	2.1
297.12640	11.5
299.10641	10.8
303.14120	1.6
306.20511	1.1
307.19043	6.8
308.09113	20.4
320.16949	0.8
321.15216	12.3
321.18866	1.1
331.08017	1.1
336.20050	0.9
338.17798	1.1
346.18246	5.0
357.14996	0.7
364.19418	19.5
369.14874	2.0
374.17697	1.0
382.20465	29.6
387.15836	1.8
392.18909	19.3
400.21283	3.7
421.21729	1.7
449.21042	10.7
467.22156	100.0
468.22137	1.7
485.23224	25.9
503.24213	9.3
521.22919	0.8
539.24786	1.5
557.25317	12.6
578.25513	1.1
596.26294	3.0
614.27338	2.7
632.28448	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	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.1
53.03935	6.1
55.01879	8.3
55.05266	1.4
55.05517	33.4
57.03429	5.2
57.07067	3.4
65.03931	3.4
67.05511	55.7
67.05873	3.4
69.07072	20.3
70.65192	2.2
70.65543	3.7
71.04987	5.2
73.41394	1.4
79.05500	54.5
79.05957	3.0
81.03407	5.1
81.07065	52.4
83.04991	14.2
83.08626	16.9
85.02912	3.7
85.06530	2.8
91.05486	38.9
93.06470	3.0
93.07052	60.0
95.04976	39.7
95.08608	38.3
97.06539	5.0
97.10170	8.8
99.04482	7.3
99.08063	1.8
100.40437	1.3
105.04535	2.4
105.07032	29.5
107.04944	5.5
107.08604	36.7
109.06519	6.2
109.10153	14.5
111.04474	10.3
111.08074	6.0
113.16140	1.3
117.07005	11.2
117.13161	1.5
119.08592	23.3
121.06496	4.3
121.10149	26.1
123.08081	3.8
123.11712	5.0
125.09628	7.4
129.07066	3.0
131.08568	15.8
133.10152	14.6
135.08035	4.0
135.11700	13.0
137.09579	2.4
139.11192	3.2
143.08578	4.9
145.10094	14.1
147.08049	2.9
147.11687	7.7
149.09630	15.9
149.13243	5.5
151.11086	1.5
153.09152	2.2
157.10158	2.0
159.11760	9.0
161.13275	7.0
163.11201	18.3
165.12737	2.5
169.10123	1.8
171.11642	3.1
173.13261	4.8
175.14850	2.3
185.13258	2.3
187.11189	3.0
189.11198	8.6
205.12256	3.9
211.13188	1.8
219.17580	1.5
223.13315	39.6
227.12820	2.4
229.19749	2.0
239.17928	3.2
247.20602	2.4
257.19061	6.6
259.20697	1.7
261.22079	5.6
275.20074	40.3
293.17862	2.0
293.21082	23.6
306.27707	1.5
317.24796	1.6
335.22198	2.4
335.25702	10.3
349.23846	9.3
439.91769	1.5
443.01950	2.0
501.51086	1.7
525.18848	1.6
609.44989	7.3
627.44672	100.0
628.42444	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	628.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33353	1.9
53.03937	4.1
55.01868	7.9
55.05516	11.5
57.03431	6.4
61.02922	2.5
65.03923	2.7
67.05505	23.8
69.03415	5.1
69.07064	16.5
70.06578	3.1
70.60583	2.5
70.60941	7.0
71.04983	3.6
79.05498	23.6
81.03410	5.9
81.07059	68.9
83.04979	5.7
83.08643	11.3
85.02901	5.0
91.05493	20.9
93.07044	20.8
95.04958	8.4
95.08613	21.5
97.06521	7.8
97.10195	2.7
105.07036	21.1
107.04948	6.3
107.08574	17.0
109.02909	2.7
109.06519	23.0
109.10162	12.3
110.03713	2.8
111.08097	2.9
117.07028	5.6
117.28326	2.1
119.08594	21.9
121.06532	4.4
121.10162	14.2
122.10654	2.0
123.08071	7.7
123.11713	6.8
127.03928	2.5
129.06985	4.0
131.08542	8.1
133.10152	12.6
135.08041	5.5
135.11681	5.2
145.10135	9.7
147.11697	17.2
149.09624	6.8
149.13254	8.0
151.11217	3.7
157.10071	3.0
159.11691	9.2
159.54805	2.2
161.13280	3.3
163.11180	8.3
164.89841	2.2
165.12773	5.3
167.07082	13.0
171.11681	2.4
173.13261	3.3
175.11211	3.8
177.12776	4.1
181.04892	3.2
193.12218	2.6
239.17865	3.2
247.20493	3.8
249.47000	2.2
257.19147	4.9
275.20084	58.9
293.21158	23.3
301.07089	5.9
314.75967	2.1
349.23752	100.0
367.24832	95.2
368.25211	3.8
575.25391	19.9
593.26245	32.2
630.63940	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01876	5.1
55.05265	1.0
55.05516	15.2
56.05020	1.1
57.03456	0.9
57.23155	0.6
57.98807	0.8
58.99586	13.2
59.04990	0.6
61.01149	0.8
66.25208	0.7
67.05510	9.0
69.03422	3.0
69.07069	10.1
70.06583	2.9
70.66863	2.2
74.00663	2.9
75.54704	0.6
76.02232	49.6
76.03999	3.0
79.05490	9.5
80.05014	2.9
81.03411	4.1
81.07062	14.6
83.04996	5.8
83.06098	4.7
83.08620	13.2
84.04510	16.0
85.01122	1.0
85.02899	1.2
85.04009	1.1
85.06529	1.1
86.00647	2.5
86.98601	0.7
86.99037	4.1
88.02220	1.9
91.05496	6.0
91.21301	0.6
93.07042	8.0
94.06569	1.1
95.04979	3.2
95.08604	6.1
96.04479	1.1
97.01109	2.3
97.02910	0.8
97.06521	2.3
97.10175	16.8
98.00635	1.4
99.02704	1.5
99.05575	2.2
100.02219	1.3
102.05569	0.8
105.07029	4.1
106.06564	0.9
107.04956	2.9
107.06082	0.9
107.08591	8.0
109.02870	1.7
109.06499	1.4
109.07600	1.8
109.10167	2.8
110.06015	0.8
110.99025	1.1
111.02671	3.4
111.04423	3.1
111.08073	3.9
112.02221	2.7
112.04010	0.8
112.07612	2.4
113.00597	2.4
113.04247	0.7
114.03743	2.6
115.05463	1.0
116.01685	20.7
117.07033	2.7
118.06547	1.2
119.08585	6.2
120.08134	1.0
121.06496	2.5
121.10149	2.3
123.02611	0.9
123.08062	2.3
124.02183	1.5
125.04247	1.5
125.09641	13.0
126.03754	2.4
127.02150	1.5
128.06241	0.8
129.06529	4.6
130.05009	9.6
131.08565	2.8
133.06505	1.1
133.10115	2.4
134.09660	2.2
135.08054	4.5
135.10515	1.5
135.11697	4.0
136.11182	1.1
137.04243	1.6
137.09615	2.3
138.03764	4.6
139.02171	1.0
139.04567	0.7
140.01680	1.7
140.05249	0.7
140.07065	1.8
141.04709	1.2
142.03241	6.8
143.02766	0.7
143.08568	1.5
144.01157	9.3
145.06094	3.6
145.08873	1.7
145.10173	1.9
146.09691	0.7
147.08035	1.8
147.11653	1.9
148.11241	1.4
149.02968	1.6
149.04112	1.0
149.09608	2.3
150.03746	2.6
151.02124	1.0
151.05739	6.1
151.07593	1.0
152.05322	3.9
153.03770	0.7
153.06598	2.0
153.09105	1.7
153.12743	7.1
155.08298	2.2
157.10135	1.4
158.66322	0.7
159.08095	1.4
159.11679	1.0
160.11238	0.8
161.06075	0.7
161.09631	2.2
161.11896	1.4
162.02209	27.5
163.05850	0.9
163.07533	2.1
163.11223	3.5
164.05261	0.7
165.07332	0.8
166.06911	2.5
166.12323	1.1
167.05324	0.9
167.07031	0.7
168.08429	7.1
170.02710	4.2
173.09555	1.1
175.11174	1.3
177.03412	3.0
177.07379	1.3
178.06871	8.6
179.04861	42.5
179.07487	1.4
180.08426	0.9
181.06088	1.6
181.12262	2.8
185.03783	3.4
187.05389	6.6
188.03783	0.8
189.03278	0.8
189.09673	0.9
189.11223	5.7
191.05200	0.8
191.10706	1.6
192.08449	2.3
193.06709	0.8
193.12254	12.7
194.09984	21.4
194.11684	1.4
195.08385	2.0
196.07945	2.4
199.07191	1.5
209.11769	0.7
212.11060	1.4
215.04871	3.0
224.11069	0.8
227.12764	11.5
231.04390	7.3
233.05917	16.8
236.18883	0.6
239.12860	0.9
243.17398	0.8
245.05948	1.9
251.12010	1.3
254.12161	1.1
261.18546	1.6
266.12222	3.3
271.16766	1.2
278.12140	1.6
279.10797	0.9
281.09616	2.2
284.13358	1.8
289.17999	8.4
291.06503	1.7
291.19550	2.1
294.11591	0.8
297.12714	11.6
299.10605	10.7
303.14133	2.2
307.19016	9.0
308.09109	18.8
309.20508	0.9
315.13934	0.8
316.06042	0.8
320.16840	1.0
321.15179	13.0
325.20129	1.0
331.08105	1.1
338.17859	1.9
346.18335	5.9
347.16815	1.0
357.15189	0.8
364.19427	20.7
365.17722	1.1
369.14816	2.1
374.17993	1.2
381.14828	1.1
382.20477	28.1
387.16006	2.7
392.18896	19.0
400.21600	4.1
403.20383	0.9
421.21570	1.4
449.21124	12.4
467.22147	100.0
468.22287	1.2
485.23172	28.4
486.22986	0.8
503.24283	7.8
521.23157	0.9
533.23358	1.4
539.24445	1.4
557.25232	13.0
596.26642	3.5
614.27423	2.6
632.28412	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	630.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.5
57.07075	43.3
59.04990	2.7
61.47191	1.7
62.48295	1.7
67.05486	5.4
69.07056	3.5
71.08282	2.3
71.08633	32.4
71.61035	1.6
72.51212	1.5
73.06541	6.6
74.63049	1.6
79.05483	2.9
81.07050	7.8
82.07381	1.7
83.08609	5.6
85.10185	28.4
87.04456	9.2
89.06032	100.0
91.05477	4.5
91.07597	1.6
93.07038	4.3
95.08605	3.5
97.10144	3.7
99.11737	6.3
105.07035	2.0
106.02429	1.7
106.11330	1.5
107.04913	2.0
107.07054	5.2
107.08553	2.2
109.10148	3.8
117.07025	1.5
117.09135	6.0
119.08560	3.2
130.08640	6.0
131.06981	2.5
131.08556	2.9
133.08606	58.9
133.10112	2.8
141.16364	2.6
145.10176	1.9
147.04375	1.9
147.11638	2.3
155.17952	5.1
161.11722	1.8
175.09679	1.8
177.11238	26.4
199.20580	3.9
221.13821	5.3
236.23154	1.7
239.14992	3.1
243.23204	8.6
275.20004	2.4
283.17636	2.5
287.25726	6.7
291.19449	1.8
313.27222	2.5
327.20145	1.8
337.68936	1.6
415.25497	3.8
459.27643	4.2
483.16870	1.8
601.40704	2.4
613.45288	8.1
630.48669	7.4
631.40076	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42395	0.7
52.06500	0.6
52.74999	0.7
55.05528	1.4
56.96563	2.1
67.05471	0.8
69.03433	1.1
69.07061	1.3
69.63616	3.3
69.64039	1.1
70.06586	1.1
75.54369	0.7
79.05525	1.3
81.03413	1.6
81.07059	2.2
83.08627	0.8
84.96008	0.7
85.02872	1.4
91.05495	1.7
93.07064	1.6
95.08615	1.9
97.02921	1.0
98.97585	1.1
105.07049	1.1
107.04943	1.3
107.08616	1.2
109.02835	0.7
109.06490	0.8
109.10176	1.4
111.08057	0.8
116.98607	0.7
119.08646	1.0
121.02856	1.0
121.06499	0.6
121.10114	1.1
123.11769	0.8
125.06049	0.7
127.03897	1.3
131.04973	0.8
137.05984	1.8
145.09988	0.6
147.03310	0.7
147.04431	1.0
149.05891	0.8
151.07574	3.8
153.05492	1.7
161.09581	0.7
167.07076	4.6
175.07553	0.8
177.05487	0.9
181.05003	1.6
197.01207	1.0
207.06528	0.7
209.05942	0.6
215.02444	1.0
253.07553	0.8
271.08615	2.3
297.06561	3.3
307.01468	0.7
315.04941	0.9
316.05850	2.1
331.08121	6.2
345.09698	1.2
393.08734	1.0
435.09583	4.0
453.11005	1.7
627.20483	100.0
628.21191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	16.9
59.04473	0.5
62.51870	0.5
64.06154	0.7
67.05495	1.6
69.92358	3.5
71.95257	1.6
72.96040	0.9
74.97614	2.1
77.05241	0.6
79.05476	1.8
81.07066	1.5
84.96021	1.3
87.65559	0.7
91.05464	0.6
91.26133	0.6
93.07030	0.9
95.08601	1.5
97.96839	0.7
98.21489	0.7
99.85227	0.6
100.19423	0.6
102.80023	0.6
105.07052	1.2
107.08581	0.9
110.97594	1.6
115.97832	1.1
116.61737	0.5
116.98640	0.7
121.10198	0.7
128.98602	7.1
133.10030	0.6
134.99652	1.0
146.99670	11.2
155.03915	0.7
157.10168	0.7
161.01237	2.2
165.00739	3.2
170.01300	0.8
179.02216	1.1
183.06824	0.6
189.04367	1.8
190.05211	0.9
203.05890	2.1
208.06056	0.7
223.06575	0.7
241.11040	0.8
252.10342	1.2
256.16058	0.6
259.12228	2.0
263.09558	3.8
270.11316	1.8
273.13852	0.7
277.11057	0.7
279.74603	0.6
281.10583	0.8
295.64539	0.6
303.12616	1.9
315.16306	40.4
317.14078	1.0
331.15875	2.9
333.17368	100.0
334.17657	1.4
351.18430	64.0
352.19168	1.1
354.17920	0.7
356.18967	27.0
357.19205	0.8
369.19434	1.6
374.20029	18.7
375.20300	1.0
397.21338	1.1
548.76044	0.6
554.83179	0.6
591.37482	3.6
656.09277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47512	1.1
53.03942	1.3
53.40919	1.2
55.01851	4.2
55.05513	7.1
55.97089	1.2
57.03411	1.3
57.07066	2.1
67.05505	12.1
69.07067	5.4
71.08614	3.5
71.58875	1.4
71.59364	1.4
79.05495	8.8
81.07069	13.0
83.04981	2.0
83.08632	3.0
89.05956	1.2
91.05485	10.1
93.06571	1.1
93.07059	12.0
95.04958	3.0
95.08640	7.8
97.06501	4.7
97.10166	1.9
105.07040	6.9
107.04938	1.5
107.08601	8.6
108.27377	1.2
109.10175	5.7
111.08070	1.6
117.07033	2.8
119.08633	6.4
121.06502	1.1
121.10090	4.8
125.09599	1.5
131.08519	5.4
133.10144	5.4
135.07974	1.1
135.11612	3.0
135.62363	1.3
141.09120	1.0
143.08533	2.1
145.10060	4.6
147.11609	3.4
149.09619	2.3
157.10037	2.3
159.11592	1.9
159.65541	1.1
161.13251	1.4
163.11183	1.9
179.14265	3.6
184.18858	1.3
185.13272	1.8
187.14880	1.7
190.11723	1.2
192.82706	1.2
197.13287	1.4
199.14764	1.4
275.20142	6.2
277.21637	1.9
293.20734	1.8
294.58722	1.3
317.20822	2.6
333.20218	2.0
335.25647	4.2
349.23566	2.3
370.16208	1.2
391.99863	1.1
529.38940	1.4
609.44952	6.6
627.41852	100.0
628.42352	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	626.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
62.38496	0.5
67.05497	1.9
67.23581	0.5
69.07062	0.9
70.09554	2.4
72.71664	0.6
79.05498	1.5
81.03426	1.3
81.07052	1.9
83.08633	0.6
85.02901	0.6
91.05471	1.0
93.07048	1.5
95.01920	0.6
95.04963	0.6
95.08609	0.7
98.21371	0.7
107.08601	0.7
109.10167	0.8
118.62402	0.5
119.08565	0.7
125.92888	0.5
131.08571	0.6
133.10147	0.8
137.09425	0.6
145.02635	1.0
146.10466	0.5
182.56987	0.5
185.06583	0.6
263.12555	1.5
269.12384	0.6
315.18585	0.9
331.18637	0.6
333.19177	3.8
335.20758	1.4
356.20624	0.7
375.20203	4.2
389.23010	1.5
393.21252	5.6
416.23016	1.9
417.23111	0.6
435.22900	0.6
459.23538	0.9
464.31299	0.6
477.24536	8.8
478.25043	0.8
493.24982	0.6
495.25565	1.2
504.25607	1.8
608.35425	0.6
626.29388	100.0
627.29681	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	627.1557
Annotation	Myricetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03952	0.2
55.01874	0.2
55.05506	0.3
57.03434	1.6
58.84851	0.1
59.05012	0.2
61.02930	1.0
67.05492	0.2
67.72247	0.1
68.99804	0.6
69.03438	1.1
69.26581	0.1
69.62502	0.6
70.06586	0.3
71.01367	0.1
71.04994	10.9
73.02921	0.4
75.04478	0.4
81.03423	0.7
81.07100	0.1
83.04984	0.6
85.02906	15.5
86.03240	0.2
87.04485	0.5
91.03965	0.5
91.05489	0.1
93.03436	0.2
95.08566	0.2
97.02893	1.4
99.04459	0.4
107.93124	0.1
109.02860	1.0
109.10153	0.2
110.93158	0.1
111.00802	1.8
111.04440	0.7
121.02854	0.1
123.04460	0.1
124.21489	0.1
125.02347	0.2
126.03116	0.1
127.03909	1.0
129.05481	3.4
137.02328	1.6
137.05986	0.2
139.03902	0.2
145.04904	0.8
147.04404	0.2
147.06522	1.2
153.01826	7.3
153.05457	0.2
155.07021	0.2
161.06006	0.2
163.04027	0.1
165.01836	2.8
166.02617	0.2
175.03915	0.1
177.05511	0.4
179.03401	1.0
180.33528	0.1
181.04980	0.2
183.02899	0.9
187.56577	0.1
189.05438	0.7
193.01349	0.3
193.15843	0.1
195.02988	0.6
199.03996	0.3
203.03329	0.3
207.02933	0.3
209.04449	0.1
217.04987	2.4
219.02916	0.1
221.04543	0.2
225.07753	0.2
225.89824	0.1
227.03423	0.2
229.05023	0.2
231.02867	0.3
235.02354	0.3
235.06119	0.2
239.01854	0.2
244.03635	0.1
245.04474	3.8
246.04811	0.2
255.02910	0.6
259.02286	0.1
263.05377	0.6
272.03217	0.2
273.03937	3.5
290.04218	1.0
291.05020	0.2
301.03491	1.0
303.04999	1.9
319.04486	100.0
320.04822	3.3
343.04462	0.2
361.05225	0.3
385.05887	0.2
465.10535	0.2
481.09918	0.6
627.27832	0.1
644.69629	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57431	0.8
50.79274	0.8
53.03940	1.1
55.01866	4.7
55.05516	9.3
56.05032	7.5
57.03424	2.0
57.98798	1.6
58.99585	12.2
61.01147	1.4
62.00634	0.9
63.03466	1.1
65.01369	0.9
67.05505	8.0
68.05014	5.1
69.03410	1.8
69.07069	3.3
70.02950	5.8
70.06580	1.8
71.04974	1.0
71.59241	1.2
71.59622	1.3
72.04514	4.3
74.00667	6.5
74.02424	1.1
76.01824	1.3
76.02231	19.5
76.03999	7.3
79.05505	6.6
80.05017	9.1
81.03416	6.5
81.05795	3.3
81.07051	6.6
82.06577	2.0
83.04978	1.5
83.06095	6.7
83.08620	4.5
84.04507	45.7
85.01131	37.7
85.02888	4.8
85.04025	2.9
86.00126	1.6
86.00650	31.6
86.99055	53.2
87.02699	1.8
88.02213	4.9
91.05486	4.1
92.01717	1.0
93.07043	3.0
95.04962	4.3
95.08599	2.5
96.04492	4.8
97.01123	10.9
97.02901	1.9
97.10172	6.2
98.00634	3.6
98.06068	1.8
99.01408	1.3
99.02660	1.0
99.05566	3.1
100.02206	8.0
102.00114	1.4
102.03771	26.0
102.04913	1.6
102.05544	18.3
105.07036	1.8
107.04931	1.6
107.08599	2.8
108.04490	2.4
109.05293	1.9
109.07639	3.8
109.10143	3.0
110.06069	1.8
111.02640	1.2
111.04420	1.1
112.02197	31.1
112.03948	3.7
113.00597	6.3
114.00112	1.6
114.03747	15.2
114.05513	2.2
115.02160	1.2
116.01685	23.5
116.98585	1.1
117.07018	1.0
119.08587	1.6
121.06504	1.0
121.10164	1.5
122.06011	1.0
123.04418	1.1
124.02185	5.3
124.03915	0.8
124.07594	1.0
125.00592	2.0
125.09624	7.5
126.03722	3.6
126.05505	1.0
129.06572	9.3
130.03241	15.8
130.04996	24.7
131.04520	2.0
131.08551	1.2
132.01154	3.7
132.04657	1.0
133.10114	1.4
135.05568	1.2
136.03920	1.7
137.05977	2.0
139.03183	1.2
140.01657	4.0
142.03223	42.3
142.48248	0.9
143.02742	35.8
143.04448	1.5
143.08540	1.0
143.10646	1.0
144.01134	6.3
145.05025	1.4
145.06047	5.6
145.10172	1.0
146.02721	0.9
147.04410	1.8
147.11717	1.2
151.03896	4.0
151.11269	1.0
152.01617	2.9
153.06595	3.0
155.08163	7.1
156.06531	6.1
158.02736	7.3
160.00645	1.2
160.04243	1.1
162.02211	9.4
163.11113	2.0
168.04785	4.5
168.06436	1.6
169.04248	7.3
170.02719	5.3
171.02211	6.1
173.09290	2.2
173.11736	1.4
177.03296	10.9
177.04749	1.3
177.05444	1.4
179.04872	15.8
181.06090	4.1
184.06052	1.2
185.03787	3.7
186.07634	1.5
187.05464	1.7
188.03862	5.1
189.03297	100.0
191.10631	1.0
193.12233	3.5
196.04301	10.1
197.03752	1.0
199.05351	3.4
199.07164	3.0
200.08072	1.0
201.08894	1.5
204.08675	2.6
205.02849	2.3
205.06435	22.1
207.23499	1.0
209.11896	1.1
215.04857	45.9
217.06520	2.3
224.03755	5.4
224.10876	1.2
227.04858	4.1
227.12787	1.3
229.14388	2.9
231.04349	4.8
232.05212	2.0
233.05916	28.2
241.06512	2.7
243.04433	1.4
245.05940	11.6
245.36279	0.9
257.07770	1.2
259.07520	5.1
266.12039	5.4
267.15976	1.4
269.05850	2.6
271.07590	1.3
273.04233	1.0
274.10181	1.1
281.06036	1.5
284.13092	1.7
285.17014	1.6
287.06964	17.6
299.07074	3.1
301.03552	2.0
307.08209	1.7
308.09134	4.7
315.13187	1.9
316.10068	1.4
316.13641	1.3
317.08237	1.7
319.04391	2.3
334.10623	7.7
340.16949	1.0
341.15396	2.0
345.07535	3.0
358.16788	1.6
362.10226	21.6
363.10556	1.1
394.18826	1.3
443.18619	1.8
445.19797	1.1
461.19666	6.6
464.18646	1.0
479.20612	12.2
497.21500	6.9
515.20612	1.6
533.21643	2.2
551.23199	5.2
590.23486	1.5
608.24957	13.7
626.25867	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	625.1762
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03945	0.3
55.01871	0.3
57.03438	1.5
61.02918	0.4
62.20943	0.2
64.48930	0.2
69.03438	1.3
70.01065	1.0
71.04996	11.4
73.02902	0.6
75.04452	0.5
81.03400	0.5
83.04975	0.3
85.02908	15.4
87.04461	0.4
91.03959	0.3
92.02628	0.5
93.03419	0.5
97.02879	1.2
99.04430	0.4
102.61060	0.2
104.74780	0.2
109.02900	0.2
111.04452	0.4
121.02855	0.6
126.03121	0.3
127.03919	0.9
127.37472	0.2
129.05489	3.6
131.44398	0.2
139.03882	0.7
145.04955	0.9
147.06517	1.3
151.03918	0.5
153.01826	3.6
165.01869	0.2
174.04338	0.2
200.15297	0.2
201.05461	0.2
217.04984	0.3
218.05879	0.2
228.04254	0.9
229.04987	2.1
231.02859	0.2
245.04311	0.3
246.05281	0.9
257.04431	1.6
260.03247	0.3
261.07733	0.3
273.03870	1.1
274.04700	2.9
284.03329	0.2
285.03961	3.3
302.01370	0.2
302.04208	9.1
317.06567	100.0
318.06931	2.9
359.07712	0.2
362.96970	0.2
479.11850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1764
Annotation	Isorhamnetin-3-Glucoside-4'-Glucoside
Peak:m/z	Relative Intensity
55.01878	0.4
55.05512	0.4
55.13403	0.3
57.03434	1.6
61.02918	0.7
65.03941	0.5
67.05492	0.8
69.03447	1.6
69.07072	0.6
70.06579	0.8
71.04998	8.0
71.60096	0.4
73.02922	0.6
75.04464	0.7
79.05486	0.6
81.03426	1.0
81.07059	0.9
83.05004	0.4
85.02911	13.2
87.04463	0.5
89.03901	0.4
90.61544	0.3
91.03976	0.5
91.05474	1.0
93.07077	0.6
95.04980	0.7
95.08593	0.4
97.02888	1.7
97.06549	0.3
99.04482	0.5
101.07163	0.3
103.05453	0.4
105.06998	0.4
107.04949	0.8
107.08582	0.5
109.02896	0.7
109.10174	0.9
109.69318	0.3
111.50067	0.3
117.03385	1.0
121.02871	0.7
121.10178	0.4
123.04437	0.8
123.08099	0.3
123.11714	0.4
125.02322	0.4
127.03911	0.9
129.05511	2.5
131.04945	0.4
133.10059	0.3
135.04416	0.6
137.02351	1.5
137.06012	0.7
140.10725	0.4
145.02826	2.1
145.04967	0.7
147.04442	0.7
147.06543	0.7
149.05981	0.4
151.03876	0.6
160.75891	0.3
161.06071	0.5
163.03914	0.6
163.07655	0.5
165.05455	0.4
167.03403	2.5
167.07050	1.4
175.04007	0.3
177.05466	5.9
179.03391	1.5
179.07057	0.4
181.05006	1.9
184.05225	0.3
187.07497	0.3
197.04576	0.3
215.07063	1.1
233.07968	0.4
243.06512	2.6
243.16199	0.3
255.02951	1.2
261.07553	0.4
271.05997	1.6
273.04028	0.3
274.04678	1.8
284.68643	0.3
288.06232	0.8
299.05487	0.7
301.07156	1.6
302.04257	1.4
317.06573	100.0
318.06918	2.6
319.53555	0.3
331.08167	1.2
347.07599	1.3
385.12903	0.4
415.14282	0.3
416.14758	1.8
453.57169	0.4
479.12067	0.7
529.01013	0.4
625.34515	0.3
633.60748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1556
Annotation	isorhamnetin 3-O-(3"-O-p-coumaroyl)-glucoside
Peak:m/z	Relative Intensity
52.03643	0.1
53.03934	0.2
55.05502	0.2
57.03432	0.2
61.02908	0.1
63.02370	0.1
63.29124	0.1
65.03934	0.9
67.41946	0.1
68.99813	0.2
69.03422	0.7
69.07053	0.2
70.06585	0.3
70.72981	0.1
70.73323	0.3
71.04982	0.2
79.05500	0.2
81.03418	3.0
81.07068	0.2
85.02909	0.9
89.03928	0.3
91.05482	6.7
92.02632	0.1
93.07037	0.3
94.46083	0.1
95.04951	0.3
95.08595	0.2
97.02893	0.3
97.06519	0.1
99.04441	0.4
105.07035	0.3
107.04958	0.4
107.08543	0.2
109.02882	1.1
109.10165	0.2
110.03663	0.6
117.03387	0.2
117.75919	0.1
119.04944	16.0
121.02882	0.4
123.04449	0.1
127.03912	0.4
131.04916	0.2
135.04398	0.8
137.02333	3.0
137.05969	0.3
145.02838	0.6
147.04410	83.5
148.04779	0.8
149.02409	0.2
150.03136	0.3
151.03841	0.2
151.07588	0.2
153.01837	1.5
153.05475	0.2
163.03917	6.3
165.01794	0.2
165.05489	1.8
167.07033	0.4
171.02959	0.7
171.04204	0.2
173.06021	0.4
175.03857	0.2
177.05493	0.4
181.04965	0.5
193.01219	0.2
200.04704	0.4
201.05394	0.2
204.04190	0.6
205.04930	0.2
207.06540	0.2
209.08232	0.1
213.05481	0.3
217.04955	0.3
218.05818	0.1
219.06500	0.1
228.04192	1.8
229.04965	1.8
233.04308	0.1
237.51947	0.1
245.04483	1.1
246.05208	0.2
249.07625	0.1
256.03683	0.7
257.04453	1.6
258.05283	0.9
271.06119	0.2
273.03989	0.8
274.04739	3.4
285.03928	2.1
286.04718	5.7
291.08618	5.0
300.99988	0.2
301.03433	8.5
301.07068	13.8
302.04214	39.2
303.04538	0.6
307.08191	0.4
309.09689	2.0
317.06558	100.0
318.06955	1.5
325.09302	0.2
359.07654	0.4
479.11850	0.3
625.14423	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	625.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57756	0.6
55.05501	0.6
55.18205	0.6
57.03407	0.9
59.97726	0.5
63.23539	0.6
67.05500	0.8
69.44724	4.9
79.18361	0.7
81.07069	1.1
83.68197	0.6
91.05450	0.8
93.07034	1.0
95.04949	0.6
95.08597	1.3
105.07054	0.7
110.26852	0.6
123.47253	0.5
128.51091	0.6
145.10176	0.6
149.77631	0.5
206.63690	0.7
208.23035	0.6
300.19376	0.5
315.19196	1.1
333.20493	3.4
607.40137	1.0
625.30017	3.4
625.40735	100.0
626.40961	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	625.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
55.16530	0.8
60.31470	0.7
67.05487	4.0
69.07057	1.7
69.48650	2.1
69.49044	12.1
71.59634	0.7
75.17497	0.7
76.02505	0.9
76.45426	0.8
79.05491	2.2
81.03411	1.7
81.07053	3.2
83.08602	0.9
91.05478	3.1
93.07042	2.4
95.04935	1.4
95.08611	1.7
98.20748	1.8
105.07031	2.7
107.08585	1.9
107.67776	0.7
108.37715	0.7
109.06560	1.0
109.10179	1.4
113.98785	0.7
117.07072	1.0
119.08567	2.2
121.10121	0.9
129.07047	1.0
131.08586	1.2
133.10146	1.2
157.10268	0.9
271.16876	0.8
273.18573	1.4
315.19461	1.6
333.20483	5.0
333.69528	0.9
404.61737	0.9
527.37720	1.0
607.42529	1.2
625.40704	100.0
626.40857	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	625.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.55161	0.4
55.01855	1.6
55.05523	3.9
57.03421	1.4
57.07082	0.6
67.05180	0.6
67.05508	8.8
69.03416	1.2
69.07063	4.4
69.63219	0.4
71.04988	0.8
71.32421	0.8
71.32755	0.7
79.05070	0.5
79.05496	8.0
81.03404	0.7
81.07055	9.6
83.04964	1.4
83.08614	1.5
85.06534	0.7
91.05477	5.4
93.07041	7.3
95.04984	3.5
95.08609	5.5
97.02878	1.1
97.06533	1.0
97.10166	1.8
100.56426	0.4
105.07040	4.6
107.04941	1.4
107.08599	4.4
109.06486	3.0
109.10141	2.2
111.08100	0.7
113.05984	1.3
117.07008	1.9
119.08594	3.3
121.10168	3.6
123.08073	0.7
123.11705	0.7
125.09605	0.9
129.06996	1.1
131.08559	2.8
133.06480	0.5
133.10132	2.1
135.08029	1.6
135.11662	1.1
141.07089	0.5
143.08517	1.2
145.10110	1.9
147.08017	0.9
147.11694	1.5
149.09557	0.5
149.13191	0.8
157.10132	0.8
159.08154	0.5
159.11644	1.2
161.09616	1.0
169.10164	0.7
173.13248	0.9
175.11081	0.5
189.11263	0.5
205.12097	0.6
223.13245	1.5
227.12898	0.5
249.68062	0.5
261.22095	0.5
273.18494	4.2
275.20035	0.7
291.16516	0.9
291.19562	12.8
315.19269	1.7
317.24771	0.5
333.20294	1.9
335.25702	0.9
347.22131	0.7
368.51956	0.5
425.06296	0.5
527.32758	0.9
556.37158	0.5
607.43243	1.1
625.40570	100.0
626.41296	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	623.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54820	2.2
55.01870	8.3
55.05516	17.8
67.05505	23.8
69.03429	4.5
69.07074	17.1
70.06606	2.5
71.04983	2.5
71.58330	3.5
79.05482	21.1
81.03430	5.1
81.07057	38.3
83.04985	6.8
83.08608	19.2
85.02909	8.6
85.06513	2.6
89.18839	2.4
89.22366	2.3
91.05466	21.2
93.07043	16.9
95.04974	5.9
95.08607	17.6
97.02884	4.5
97.06539	4.1
97.10153	2.4
105.07017	22.5
107.04929	2.6
107.08607	14.5
108.16787	2.2
109.06544	5.9
109.10159	10.7
111.08091	10.2
117.07082	3.6
119.08579	17.5
121.10119	17.5
123.08092	4.1
123.11705	11.4
127.03966	2.6
128.07164	2.3
131.08519	5.4
132.04446	30.1
133.10103	13.0
135.08060	4.6
135.11694	7.9
145.10112	4.2
147.11678	31.3
149.13194	6.6
151.11256	2.6
157.10118	4.5
159.11726	3.0
161.13269	3.0
165.12788	11.5
173.09676	3.1
183.01070	2.1
183.13802	3.1
193.12317	3.0
211.13312	2.5
229.14360	11.7
237.07974	2.3
241.19380	2.7
259.20630	2.8
267.15866	2.7
275.20062	2.7
277.21613	76.0
291.19531	3.5
295.22714	26.8
336.36938	2.6
387.72595	2.3
426.26379	100.0
427.26785	3.7
457.73929	2.3
525.35846	4.1
623.33911	8.6
623.43408	3.0
624.27551	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	623.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96363	1.1
53.03948	4.5
55.01878	15.9
55.05519	20.5
57.03438	3.5
57.07074	3.6
65.03944	2.4
67.05508	35.5
69.03448	9.7
69.07075	13.5
69.62312	1.1
69.62678	9.0
71.04997	5.5
71.08635	7.4
72.26328	1.1
73.02936	1.9
79.05502	25.9
81.03424	22.9
81.07066	44.8
82.07413	2.7
83.04992	9.9
83.08631	16.1
85.02908	4.6
85.06563	3.5
85.10193	5.9
89.98174	1.3
91.05484	25.7
93.07051	24.7
95.04975	13.5
95.08612	23.8
97.02891	10.8
97.06539	6.9
97.10175	5.6
99.04456	2.7
99.08099	7.7
103.05480	1.4
105.07040	18.8
107.04977	7.3
107.08608	16.9
109.02888	17.0
109.06512	7.0
109.10163	10.8
111.04463	4.9
111.08086	23.8
113.09661	6.7
117.07025	6.9
119.04915	1.3
119.08581	13.6
121.06541	5.7
121.10144	11.3
123.04450	3.6
123.08059	4.3
123.11717	5.1
125.02366	60.8
125.09675	2.5
127.03931	25.6
129.06996	6.2
131.08556	8.4
132.04469	6.7
133.06497	3.3
133.10149	12.2
135.08069	3.2
135.11702	7.2
137.09654	3.1
139.11212	3.0
141.07028	2.0
143.08580	3.4
145.05017	2.2
145.06509	4.5
145.10124	6.0
147.04401	2.0
147.08066	3.8
147.11700	12.5
149.05991	2.5
149.09633	7.2
149.13251	5.3
151.11209	6.8
151.14857	1.4
153.12802	3.6
155.08556	2.4
157.06514	2.2
157.10162	4.3
159.08067	1.6
159.11707	4.4
161.06052	1.9
161.09613	3.0
161.13278	4.8
163.11195	7.3
165.12759	15.0
169.10147	1.5
171.11731	1.5
173.09666	1.7
173.13275	2.8
175.11172	3.3
175.14844	1.5
177.12787	2.7
179.14337	3.7
185.13272	2.0
189.12842	1.9
193.12299	5.2
195.13751	1.3
201.12802	1.8
207.13725	1.7
209.15411	5.0
211.13312	2.9
231.21184	1.9
241.19469	2.7
249.22090	3.5
257.15369	2.3
259.20612	4.3
273.14822	2.8
275.16437	3.0
275.20117	6.5
276.20480	4.4
277.21652	100.0
278.21716	1.2
283.13245	1.4
287.16470	1.5
293.21155	5.1
295.22705	46.5
301.14352	1.5
319.22668	1.3
321.22305	1.3
337.23856	1.9
339.23099	2.0
357.24384	4.2
367.18121	1.3
367.22403	2.5
368.31674	1.4
375.25443	3.6
385.23779	9.4
403.24835	34.3
404.25381	1.3
408.25427	2.0
421.25888	91.0
426.25473	1.4
439.26880	17.4
461.28751	2.3
479.29959	1.6
538.16724	1.4
603.14417	1.2
605.32532	1.6
623.34778	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	623.392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21175	0.5
51.32859	0.4
55.05499	1.1
60.21135	0.5
60.85130	0.5
62.40030	0.4
67.05500	1.4
70.05447	2.1
76.36396	0.5
79.05487	1.2
81.07056	1.2
91.05490	0.9
93.07019	1.3
95.08590	1.7
107.08563	0.8
119.08569	1.1
133.10161	0.6
157.10242	0.6
186.62199	0.5
315.19263	1.6
331.18750	4.6
545.24591	0.6
563.26215	1.0
623.29297	5.4
623.39099	100.0
624.29346	1.2
624.39191	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	622.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.5
57.07071	15.8
60.35532	5.0
67.05499	20.3
69.07074	9.1
71.32500	6.2
71.32822	4.4
79.05497	17.2
81.07069	28.4
83.08608	12.8
83.46893	4.3
85.10184	24.0
91.05468	24.2
93.07043	16.4
95.04975	15.7
95.08613	16.5
97.06537	5.6
97.10139	6.3
105.07035	13.3
107.04981	8.0
107.08619	7.9
109.06511	8.0
109.10139	8.1
111.08073	5.7
113.09647	23.3
117.07027	5.1
118.73740	4.8
119.08601	12.9
121.06528	6.4
121.10118	5.4
131.16122	4.3
133.10101	7.3
145.10132	6.9
147.11618	12.2
149.09625	16.0
159.11591	5.5
163.11227	7.8
165.12788	34.1
166.13153	5.7
175.11186	8.2
180.01196	4.7
189.11214	5.1
198.91818	4.5
199.91437	4.6
224.13689	6.6
257.19016	5.7
259.20572	6.2
275.20172	34.4
276.20468	4.9
277.21674	58.1
278.21994	10.3
291.19449	6.5
293.21106	20.4
294.21490	14.9
295.22699	72.2
296.22952	15.2
297.23489	6.7
369.70221	5.2
454.26758	4.7
461.19534	8.1
475.21216	6.9
476.22101	18.3
531.23370	6.4
545.25128	11.4
563.26404	11.8
622.27631	14.3
623.28503	100.0
623.37482	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	622.468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.6
55.05512	18.4
56.29147	2.1
57.03425	2.2
57.07079	11.8
67.05508	28.4
69.07065	13.8
70.88193	4.4
71.04999	2.7
71.08650	2.6
79.05489	24.1
81.03419	6.8
81.07061	32.5
83.04976	8.6
83.08604	12.5
85.10183	25.8
91.05486	27.1
93.07049	26.5
95.04976	19.6
95.08611	25.3
97.06541	6.0
97.10188	6.2
99.08099	3.7
100.48597	1.9
103.07133	1.8
105.07027	21.5
107.04955	14.7
107.08604	17.2
109.06516	3.8
109.10145	8.5
111.08111	3.7
111.28603	2.4
113.09652	34.8
117.07044	9.0
119.08609	14.8
121.06523	4.4
121.10133	13.6
123.08112	3.4
123.11739	2.5
125.09590	5.6
129.06992	4.4
131.08588	11.9
133.10115	16.8
135.08051	3.4
135.11725	8.6
137.09618	5.3
139.11186	3.2
141.07027	2.1
143.08575	3.5
145.10114	14.2
147.08022	3.8
147.11691	14.9
149.09615	18.2
149.13269	4.9
151.11189	8.7
155.08582	2.0
157.10141	4.1
159.11711	9.0
161.13258	5.9
163.11174	25.5
165.12769	34.8
171.11679	5.3
173.09662	2.3
173.13281	3.2
174.05487	2.2
175.11206	4.7
175.14818	2.4
177.12778	4.2
179.14310	6.6
183.11703	3.5
189.11227	4.5
195.13741	4.8
207.13556	1.8
223.13284	12.9
229.19391	2.9
239.17976	6.2
257.19049	9.6
259.20657	6.1
275.20074	68.4
276.20584	3.0
277.21631	62.8
278.21967	3.0
291.19635	2.1
292.19818	1.9
293.21115	37.8
294.21545	2.3
295.22696	100.0
296.23163	2.4
475.21112	2.4
514.22406	2.4
562.25177	5.8
622.27686	42.6
622.39294	7.1
623.27954	4.5
623.38745	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	622.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.0
57.07075	20.6
67.05506	20.5
69.03429	2.6
69.07072	10.9
69.42368	26.9
71.08649	5.5
79.05489	17.3
81.03418	9.6
81.07071	23.4
83.04993	5.6
83.08635	5.3
85.10192	41.1
91.05476	18.1
93.07044	17.8
95.04995	13.1
95.08609	19.2
97.06481	3.8
97.10201	6.1
99.08076	4.7
105.07049	11.3
107.04924	12.4
107.08619	8.8
109.06511	4.2
109.10159	5.4
110.96226	2.7
111.08124	3.6
113.09649	48.8
117.07066	2.8
119.08592	9.0
121.10168	6.8
123.08080	5.3
129.06985	2.5
131.08597	7.6
133.10149	3.6
135.11679	4.2
147.11693	11.4
148.40247	2.6
149.09628	10.3
151.11209	4.1
161.13269	4.0
163.11214	11.6
165.12769	55.0
169.53149	2.5
175.11066	6.3
175.14839	3.8
179.14406	3.0
181.12206	3.2
184.76033	2.7
211.13280	2.6
259.20639	6.5
275.20010	4.2
277.21628	70.2
282.92929	2.7
293.21133	69.1
295.22684	100.0
355.66257	2.7
587.42719	3.6
622.27826	7.5
623.38623	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70763	21.2
55.05495	22.7
70.85519	27.0
70.85852	45.0
79.05500	29.3
95.08617	35.9
115.32073	21.2
295.22610	24.6
313.27753	29.0
382.90079	24.8
545.25537	81.3
605.27240	100.0
623.28339	92.5
633.07874	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54206	1.1
53.03944	2.4
55.01862	3.3
55.05304	0.9
55.05517	12.2
57.02112	0.9
57.03446	6.0
61.02638	1.5
61.02930	21.7
65.03951	1.4
67.05508	37.1
69.03424	6.3
69.07072	11.7
71.04989	3.2
71.60049	0.9
73.02927	5.1
79.05502	24.6
81.03418	4.3
81.07061	31.1
83.04984	2.5
83.08632	8.4
85.02911	15.0
85.06528	1.3
87.04511	0.9
91.03951	9.0
91.05487	32.3
93.07050	24.2
95.04978	7.2
95.08609	18.9
97.02902	10.7
97.06528	4.7
97.10170	4.3
99.04475	1.6
99.08058	1.1
103.05451	1.4
104.29792	1.0
105.07040	28.1
107.04949	6.3
107.08597	10.6
109.02891	1.6
109.06506	3.9
109.10159	10.5
111.08081	2.3
115.05444	3.3
116.06293	1.0
117.07021	18.9
119.04925	1.3
119.07796	1.2
119.08586	17.0
121.06531	5.4
121.10149	9.8
123.04401	1.5
123.08089	3.2
123.11691	1.4
125.09648	2.6
127.03913	2.5
128.06218	4.3
129.07005	22.7
131.04897	2.0
131.08583	28.4
133.06467	4.4
133.10135	10.9
135.08061	4.2
135.11708	4.1
137.09589	2.9
141.06987	10.2
142.07794	1.4
143.08563	21.4
145.06499	6.0
145.10139	13.0
147.08052	5.2
147.11711	5.5
149.09628	4.8
149.13274	1.9
153.06946	2.3
154.07837	1.8
155.08563	16.2
157.06572	2.3
157.10139	11.3
159.08043	3.7
159.11702	9.8
161.06174	1.5
161.07727	1.0
161.09621	3.1
161.13283	1.3
163.11192	2.0
165.07045	2.1
167.08574	8.5
168.09282	1.2
169.10121	9.8
171.08080	3.2
171.11708	9.3
173.09735	2.6
173.13220	2.6
175.09695	1.2
175.11194	3.5
176.22020	1.0
177.12813	2.7
179.08592	4.4
181.10080	8.2
182.10878	1.3
183.08054	2.2
183.11700	7.2
185.09612	2.0
185.13275	5.4
187.11128	1.8
187.14845	2.5
189.12692	2.3
191.14290	1.1
193.10156	3.9
195.11678	8.3
197.09689	2.3
197.13304	5.2
199.11137	2.8
199.14813	3.3
201.12852	1.4
203.14380	2.5
205.10194	1.2
207.11678	3.2
209.13318	6.4
211.11284	1.4
211.14836	3.4
211.38396	1.1
213.12834	2.5
213.16400	2.3
215.14368	5.0
217.10144	1.0
217.15965	1.3
219.11729	1.7
221.13219	7.0
223.14873	5.9
225.12740	2.4
225.16493	1.8
229.14339	3.0
231.17487	1.6
235.14821	3.7
237.16339	1.6
239.14355	3.2
241.15981	2.2
243.13759	1.1
243.17596	1.6
249.16351	1.6
253.15843	3.0
257.15366	2.9
259.16983	1.4
271.16925	3.8
285.18640	1.9
305.22385	1.3
313.25241	1.5
315.21158	1.8
323.23593	5.0
333.22189	10.9
341.24759	6.8
351.23215	34.9
352.23682	1.3
369.24289	26.8
378.25119	1.2
387.25272	11.4
415.28448	2.8
425.26843	8.6
433.29742	1.6
443.27982	100.0
444.28168	2.5
461.29031	71.9
462.29443	2.0
485.29080	1.4
605.33136	1.9
623.34186	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	621.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01884	2.6
55.05258	0.6
55.05512	7.4
56.33080	0.4
57.03448	2.2
57.07081	1.0
61.02921	1.3
65.03942	0.9
67.05507	23.8
69.03433	4.3
69.07076	7.9
70.06598	0.6
70.73331	1.2
71.04979	2.7
79.05495	20.0
81.03420	4.1
81.07059	72.8
82.07400	0.7
83.04988	3.8
83.08621	4.7
85.02427	0.5
85.02908	7.5
85.06561	2.2
91.05485	17.2
93.07047	16.9
95.04978	5.9
95.08609	19.1
97.02901	2.8
97.06543	3.9
97.10166	2.0
97.55682	0.4
99.04447	0.7
99.08083	1.3
103.05463	0.6
105.07030	26.1
107.04958	8.6
107.08598	11.7
109.02879	1.3
109.06527	14.8
109.09450	0.8
109.10162	9.2
111.08092	1.8
115.05439	0.9
117.07018	4.8
119.08587	17.6
121.02894	1.8
121.06512	4.1
121.10143	12.0
123.04446	1.0
123.08084	5.1
123.11716	7.7
125.09644	1.8
127.03896	1.5
127.07555	0.9
129.06981	2.3
131.08568	9.0
132.04462	4.0
133.06480	1.6
133.10138	15.1
135.08060	4.5
135.11700	4.4
137.09637	2.5
137.13251	0.9
141.06937	0.8
143.08560	1.6
145.05013	1.1
145.10126	9.1
147.08035	1.5
147.11693	18.8
149.09639	4.6
149.13252	3.6
151.11169	1.4
155.08559	1.2
157.10153	2.9
159.08051	1.6
159.11705	6.4
161.09650	1.9
161.13271	1.9
163.11185	3.7
163.14816	1.6
165.12744	7.9
169.10094	1.4
171.11716	1.6
173.09557	1.1
173.13251	3.4
175.11176	2.4
175.14838	1.2
177.12759	1.5
179.14392	0.5
183.11691	2.0
183.13770	1.4
185.13271	1.0
187.11179	0.7
187.14941	0.9
189.12741	1.0
191.10515	0.6
191.14333	1.3
193.12245	1.4
197.13272	1.7
199.14755	0.5
201.12695	0.7
201.16220	0.7
203.14328	0.7
207.13811	0.9
211.13235	0.6
213.16344	1.0
215.14351	1.2
215.17964	1.0
229.14351	4.1
229.19398	2.3
233.15436	0.6
233.18970	0.6
239.17947	3.3
247.20618	3.6
251.20224	0.5
257.19000	7.9
265.21622	2.5
275.20074	100.0
276.20444	2.9
293.21124	55.7
294.21402	1.5
383.67422	0.5
397.23892	2.3
406.23825	0.6
424.24817	6.3
441.26270	0.6
459.27560	0.8
603.31549	0.7
621.32404	1.4
621.48785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57415	1.5
53.00072	1.7
53.03940	3.4
55.01869	10.2
55.05261	3.0
55.05513	38.9
56.96576	9.1
57.03438	2.7
57.07069	6.0
65.03941	2.2
65.08409	1.5
65.23334	1.6
67.05176	2.1
67.05510	30.5
69.07072	15.2
69.32349	15.2
71.04983	4.4
71.08631	2.0
72.02814	1.4
79.05056	2.5
79.05500	33.9
81.03419	10.4
81.07063	51.2
81.20138	1.5
83.04996	13.0
83.08627	28.2
84.96033	5.1
85.02913	3.6
85.06560	3.7
85.10177	6.8
87.04474	6.2
91.05495	22.6
93.07050	25.4
95.04977	57.4
95.08614	22.8
97.06534	5.5
97.10178	24.8
98.97558	1.4
99.04446	2.5
99.08109	2.6
102.11095	1.5
105.07043	16.3
107.04968	13.2
107.08601	23.8
109.06522	11.1
109.10181	12.2
109.77947	1.6
111.04461	11.0
111.08094	8.1
113.09638	5.2
116.98647	3.7
117.07009	10.6
118.78368	1.5
119.08588	20.5
121.06500	10.9
121.10135	11.1
123.08076	10.5
125.09643	22.5
129.07014	4.5
131.08591	13.5
133.06490	1.8
133.10138	11.7
135.08044	7.2
135.11710	7.9
137.09560	3.9
141.06966	1.8
143.00204	2.8
143.08553	3.9
143.10695	1.8
145.10121	16.0
147.08075	10.8
147.11710	5.9
149.01285	1.7
149.09622	20.2
149.13260	2.7
151.11234	2.8
153.09128	14.1
153.12756	4.6
157.10124	4.1
159.08170	2.3
159.11713	6.0
161.01259	7.0
161.09641	5.7
161.13287	3.0
162.99197	2.3
163.11209	25.9
165.09087	2.4
165.12761	15.4
167.10742	1.6
171.10120	2.5
171.11627	2.4
173.09637	3.4
177.12816	2.9
179.02299	2.4
179.14287	1.5
181.12263	4.4
187.11247	3.7
189.11229	23.4
189.75183	1.8
191.10704	6.1
193.12236	1.9
201.00764	3.9
205.12271	6.2
219.01740	1.7
223.13324	28.3
227.12769	8.6
229.19507	2.6
247.20604	1.9
255.17659	3.0
257.19055	2.6
264.97052	2.7
273.18463	13.6
275.20111	40.8
276.20627	2.0
277.21628	20.8
282.97983	6.0
291.19565	61.9
293.21143	100.0
294.21371	1.9
295.22705	42.0
300.99011	4.1
309.20703	6.0
311.22159	4.8
321.20941	2.0
339.22244	8.4
357.23148	2.1
391.96185	1.5
437.29919	1.9
549.39362	6.6
561.25055	2.4
567.40527	8.8
585.41504	5.6
621.26190	37.2
621.41254	5.5
622.26636	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	621.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03942	1.6
55.01857	1.0
55.05267	0.6
55.05515	8.0
57.03429	0.8
61.02932	0.5
65.03934	0.5
67.05507	9.9
69.03428	1.9
69.07072	4.3
70.62669	0.4
70.63011	1.0
71.04982	1.2
79.05495	7.6
81.03423	3.5
81.07057	9.6
83.04984	3.7
83.08618	9.4
85.02911	3.9
85.06544	1.0
91.05483	11.3
92.05809	0.4
93.07043	9.9
94.07359	0.3
95.04974	7.1
95.08047	0.5
95.08609	7.4
97.02894	1.7
97.06532	2.9
97.10175	2.2
99.04449	0.4
99.08046	0.4
103.99081	0.3
105.07030	12.6
107.04957	4.4
107.08597	7.6
109.02863	0.4
109.06509	1.7
109.10158	4.0
111.08092	2.1
117.07014	4.7
119.08588	11.0
121.06512	1.9
121.10142	6.8
123.04423	4.4
123.08067	1.2
123.11706	1.0
125.09634	2.1
127.03910	0.7
128.06227	0.4
129.07001	1.2
130.07819	0.3
131.08562	5.7
132.04463	5.6
133.06480	0.6
133.10133	12.2
134.10429	0.4
135.08035	1.8
135.11696	2.8
137.09604	2.2
139.11165	0.5
141.07002	0.8
142.07794	0.4
143.08600	1.5
145.04919	0.5
145.06525	0.8
145.10129	9.9
147.08034	1.3
147.11696	6.3
149.09630	10.7
149.13251	0.9
151.11166	2.3
153.09010	0.5
155.08583	1.5
157.10056	1.7
159.11700	5.5
161.09616	0.7
161.13315	1.7
163.11183	11.6
165.12762	2.4
169.10191	1.8
171.11671	2.4
173.09673	2.2
173.13219	2.7
175.11165	1.8
175.14842	0.8
177.12706	1.9
179.14285	0.4
183.11671	2.1
185.13271	0.5
187.11205	0.8
187.14719	0.5
189.11169	0.5
189.12704	0.7
191.10663	0.6
191.14281	0.7
193.12224	0.5
193.15875	0.4
197.13240	1.5
201.12759	0.4
205.12378	0.4
211.14850	0.8
213.16347	0.5
215.14310	0.7
215.17955	1.1
223.13318	2.4
224.15332	0.3
227.12808	1.1
229.19461	2.0
239.17950	6.5
239.65506	0.3
247.20554	1.3
257.19031	11.2
258.19559	0.5
275.20068	100.0
276.20334	2.6
277.21643	0.3
293.21124	27.4
294.21655	0.9
302.21118	1.6
320.22247	1.3
397.23532	0.4
406.23721	1.4
424.24753	0.8
442.26154	0.3
500.44135	0.4
621.32776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
54.52450	0.8
55.01873	5.3
55.05261	1.3
55.05510	20.9
57.03434	2.4
57.07079	1.5
61.02903	0.9
63.90407	0.8
65.03931	1.4
67.05504	27.4
69.03417	8.0
69.07073	11.6
70.06562	0.9
71.04976	3.4
71.25349	0.9
71.25690	1.7
79.05056	1.6
79.05495	23.1
81.03423	19.1
81.07056	50.4
83.04989	5.8
83.08617	17.4
85.02900	6.1
85.06516	3.0
91.05478	22.9
93.06469	1.4
93.07043	22.6
95.04972	18.3
95.08607	20.1
97.02869	4.3
97.06526	6.4
97.10158	3.9
99.04467	2.1
99.08064	1.9
99.61530	0.9
102.09176	0.9
103.05455	1.4
105.07029	23.6
105.07757	1.2
107.04948	9.2
107.08595	14.3
109.02882	8.6
109.06512	17.4
109.10174	7.4
111.04433	1.8
111.08060	4.5
115.05441	1.0
117.07023	7.5
117.10278	0.8
119.07793	1.6
119.08590	20.9
121.06505	4.7
121.10160	11.1
123.04409	2.7
123.08080	5.5
123.11687	3.8
125.09602	3.3
127.03911	9.0
129.07005	4.4
131.04926	1.5
131.08578	10.9
132.04463	8.4
133.06471	3.1
133.10132	17.1
135.04419	1.6
135.08080	4.2
135.11668	6.8
137.09601	3.8
139.11157	0.8
141.06943	1.7
143.08534	2.9
145.06538	2.1
145.10121	11.6
147.08067	3.5
147.11687	14.2
149.02327	3.5
149.09625	11.4
149.13257	3.0
151.11169	3.1
155.08540	2.3
157.06514	1.4
157.10098	3.5
159.04451	1.3
159.08018	2.5
159.11714	8.5
161.05963	1.2
161.09607	3.6
161.13237	2.0
163.11162	10.4
163.14789	1.5
165.09109	1.1
165.12749	4.5
169.10194	1.6
170.06070	1.3
171.08043	1.5
171.11699	3.0
173.09630	4.2
173.13239	3.0
175.11198	2.7
177.09123	1.2
177.12753	2.9
179.14308	1.5
183.11644	1.9
185.13174	1.4
186.72105	0.9
187.11226	1.9
187.14833	0.9
189.11142	1.0
189.12735	1.0
191.10658	1.1
193.04961	2.6
193.12210	2.0
197.13249	1.6
200.20056	1.2
201.12762	1.3
215.17897	1.1
219.10417	1.0
222.75665	0.8
223.13249	5.0
229.19482	2.4
237.14764	1.3
239.17889	4.8
247.20534	2.6
256.26254	1.3
257.19028	8.0
275.20053	100.0
276.20404	2.5
278.15250	1.4
293.17780	1.9
293.21118	39.0
296.16364	1.7
320.22299	2.1
335.22302	1.1
365.21060	1.1
383.22183	2.5
397.23691	1.7
401.23227	8.1
406.23843	7.8
419.24265	16.1
424.24863	8.3
431.66858	0.9
437.25378	16.0
438.25308	1.2
442.25830	2.3
447.22269	1.0
455.26379	1.2
468.25204	0.8
621.16132	1.4
621.32538	3.3
621.48358	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.4
55.01866	15.6
55.05516	35.1
57.03425	11.8
57.39860	2.9
60.29561	2.8
65.03928	7.0
67.05177	5.3
67.05508	77.6
69.03426	17.0
69.06789	3.1
69.07072	41.7
71.05005	6.6
71.59055	6.0
72.65812	2.8
79.05063	4.2
79.05498	65.3
81.03429	52.1
81.07065	100.0
82.07413	3.6
83.04974	15.1
83.08624	20.1
83.28551	3.4
85.02914	18.7
85.06537	12.5
91.05490	60.7
93.07053	54.9
95.04980	34.7
95.08618	41.9
97.02905	23.6
97.06506	14.4
97.10193	17.4
99.04440	6.9
99.08118	3.6
105.07037	57.6
107.04983	20.3
107.08601	41.0
109.02880	27.9
109.06512	15.7
109.10172	23.6
111.04465	8.7
111.08072	10.8
117.07037	28.2
119.08595	51.9
121.02814	4.8
121.06474	13.6
121.10152	22.3
123.04426	5.9
123.08043	10.5
123.11697	3.4
125.09628	10.1
127.03925	24.5
128.06227	3.9
129.06989	14.7
131.04932	7.1
131.08559	29.6
132.04453	30.1
133.06429	6.3
133.10129	34.3
135.08047	14.3
135.11710	24.2
137.09605	8.3
141.07019	6.2
143.08586	8.9
145.06473	4.8
145.10161	26.1
147.08099	8.1
147.11720	23.2
149.02348	43.6
149.09642	18.5
149.13255	13.3
151.11169	7.9
153.09137	3.6
155.08603	5.4
157.10089	9.0
159.08093	3.5
159.11696	20.9
161.09634	5.9
161.13319	7.2
163.11185	15.2
165.12888	5.8
169.10196	6.6
171.11725	9.8
173.11862	5.1
173.13263	11.2
177.12762	8.5
181.12270	12.5
183.11612	3.5
185.09540	4.0
185.13271	3.5
187.11200	3.9
189.11209	12.4
191.07060	4.5
193.05013	30.4
193.06624	4.6
195.03397	3.8
195.13771	13.9
197.13168	4.6
199.13376	4.0
207.13815	3.7
213.14764	5.4
223.13190	8.4
229.14256	4.1
229.19679	4.5
233.15408	5.1
247.20567	5.2
257.19031	14.0
269.17413	4.7
275.20074	77.7
293.21082	22.6
315.14630	5.1
321.16882	7.4
325.16681	4.0
339.18042	11.0
355.22458	4.8
360.54257	3.7
383.22250	8.0
401.23227	10.5
419.24329	21.8
424.27707	13.6
437.25424	6.4
446.25238	4.8
464.25928	6.2
503.98721	3.7
603.73016	3.9
621.16510	24.0
621.32642	12.2
622.15613	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16086	1.2
57.07087	1.1
65.26974	1.0
67.05507	1.5
69.07082	1.1
69.13010	0.9
71.08590	1.1
71.19858	2.3
74.27570	0.9
80.04692	0.9
81.07039	1.8
83.08617	1.3
85.21766	0.9
86.42783	0.9
91.05487	1.8
93.07038	1.3
95.04952	1.1
95.08618	1.6
153.12854	1.2
204.80368	1.0
271.06107	2.5
291.19650	3.3
293.21100	1.5
294.21417	2.1
315.56528	1.0
375.15985	1.2
388.17096	1.4
389.17859	3.9
390.18475	2.7
402.18973	1.3
403.19443	6.5
404.20120	1.6
405.20831	2.2
415.19626	1.8
416.16135	1.6
417.16327	5.0
417.21658	1.9
418.21960	1.4
419.22321	9.7
430.17825	1.7
431.18384	9.3
432.19424	2.4
433.20020	1.7
445.20325	7.5
446.21155	5.3
447.21936	13.0
459.17416	1.5
459.22397	1.8
460.18649	1.9
461.19717	1.4
473.19354	1.6
474.20386	10.6
475.21387	16.5
487.21136	5.6
488.22342	2.1
501.23297	1.7
502.23624	1.1
505.26172	2.1
518.22113	1.1
533.25531	12.9
546.22797	1.4
561.24994	77.9
562.25208	2.8
589.24518	2.4
593.28015	2.9
621.27124	100.0
622.27661	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.03926	0.3
55.05497	0.7
66.69808	0.3
67.05502	0.8
67.89586	0.4
70.84635	0.9
79.05508	0.5
81.03430	0.4
81.07066	1.0
83.08608	0.6
91.05479	0.5
93.07053	0.5
95.08614	0.6
105.07046	0.5
107.08598	0.4
130.09396	0.3
133.10112	0.3
144.08084	0.3
163.11235	0.6
194.26651	0.3
207.09262	0.3
223.13303	0.4
262.87515	0.3
272.12326	0.3
275.19958	1.7
276.20493	1.2
293.21265	1.4
294.21497	0.9
375.16324	0.9
387.16272	0.4
388.16943	0.8
389.17545	2.2
390.18408	0.7
391.19122	0.7
401.17908	1.0
402.18542	1.2
403.14798	0.7
403.19611	3.4
404.20074	1.2
405.20581	2.0
415.19489	0.6
416.15695	0.5
416.20187	1.0
416.71365	0.4
417.17096	3.0
417.21082	2.5
418.17209	0.6
418.21878	1.0
419.22440	4.5
420.22781	0.7
429.16629	0.5
430.17435	0.7
431.18234	5.5
432.19186	2.4
433.20117	1.5
444.19382	0.6
445.20117	4.1
446.21033	2.7
447.21805	3.5
459.22968	1.5
473.19382	0.6
474.20364	1.9
475.21213	2.2
487.21475	0.6
501.22488	0.7
519.20563	0.3
529.22095	0.4
533.25464	3.8
561.25006	7.4
589.24664	0.8
593.27710	1.4
621.27100	100.0
622.27521	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05511	0.2
55.91748	0.2
62.84012	0.2
67.05494	0.5
69.07067	0.3
81.07084	0.4
91.05464	0.3
92.33522	0.2
95.08615	0.3
107.08612	0.2
130.06496	0.2
131.08612	0.3
182.09631	0.3
183.09096	0.2
207.09227	0.3
209.10719	0.4
215.27403	0.2
221.10756	0.3
229.80284	0.3
251.11674	0.4
283.01981	0.4
286.13614	0.3
291.19958	0.2
298.13565	0.4
314.12814	0.2
324.11292	0.2
324.14899	0.3
328.14383	0.3
338.12909	0.2
338.16672	0.2
372.15186	0.2
373.14548	0.3
374.15369	0.7
375.15884	1.1
376.17899	0.2
377.17871	0.2
384.16986	0.3
386.16290	0.3
387.16208	0.8
388.16772	1.3
389.17578	3.2
390.18646	1.2
391.19119	1.0
400.17618	0.2
401.17807	0.6
402.14163	0.4
402.19019	1.9
403.19424	5.9
404.20267	2.7
405.20782	2.8
406.21548	0.4
415.19287	0.9
416.15363	1.1
416.20551	0.8
417.17093	4.2
417.21115	2.7
418.17719	1.0
418.21674	1.1
419.22488	7.6
420.23151	1.1
429.16629	0.4
429.21478	0.5
430.17160	1.5
430.22684	0.4
431.18152	8.5
432.18985	3.0
433.20132	3.4
441.16895	0.3
443.18774	0.8
444.19492	0.8
444.51965	0.2
445.20175	6.2
446.15851	0.2
446.20926	6.5
447.21863	9.4
448.22302	0.8
457.20251	0.5
458.20877	0.5
459.17215	0.5
459.21857	2.6
460.18613	0.7
460.23077	0.7
461.19550	1.8
462.20502	0.3
463.21350	0.6
473.19446	1.0
473.24017	0.9
474.20377	5.6
475.21307	8.2
476.21475	0.7
477.23129	0.4
478.23618	0.5
486.20654	0.3
487.21356	2.9
488.21841	1.1
490.23810	0.3
491.19952	1.3
492.25040	0.4
501.23199	1.8
502.23709	0.6
504.21881	0.3
505.26074	1.0
518.23163	0.7
519.20306	0.6
529.22729	0.4
533.25543	15.7
534.25983	1.3
546.22803	0.4
561.25018	22.1
562.25330	2.0
582.17316	0.2
589.24420	1.1
593.27490	3.7
594.28308	0.3
621.27124	100.0
622.27405	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	620.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.2
57.07078	23.2
61.86959	4.1
66.95434	3.2
67.05515	36.9
69.07064	18.0
70.77202	8.8
70.77560	10.0
71.08630	4.7
79.05497	20.8
81.03425	13.5
81.07072	37.3
83.04977	7.4
83.08626	11.1
85.10186	40.7
91.05485	36.4
93.07045	21.9
95.04993	20.7
95.08611	24.1
97.06496	6.3
97.10182	6.4
99.08107	3.9
105.07047	27.4
107.04957	16.9
107.08595	21.9
109.10147	27.1
111.08131	4.0
113.09640	47.1
117.07047	5.9
119.08558	18.8
121.06490	6.8
121.10134	9.7
123.08060	9.1
129.07104	3.9
131.08548	10.0
133.10147	29.8
135.08089	5.7
135.11684	8.6
145.10114	5.7
147.11691	11.6
149.09650	15.6
151.11191	21.5
157.10091	4.5
163.11227	14.2
165.12767	52.7
169.12196	5.6
171.11707	4.1
175.11230	6.9
181.12114	3.8
182.87672	3.8
215.12822	4.3
223.13373	5.6
259.20526	6.9
273.18549	7.6
275.20084	27.0
277.21655	74.1
291.19547	14.3
293.21045	16.6
295.22693	100.0
647.62805	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	620.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	34.7
57.07068	20.2
61.16643	8.7
67.05502	45.7
67.16059	7.0
69.07057	27.3
71.06457	21.4
72.66342	6.8
79.05483	26.5
81.03396	12.3
81.07058	40.1
83.04982	14.0
83.08614	24.1
85.10168	31.5
85.74377	6.6
91.05466	38.6
93.07034	33.4
94.56183	6.9
95.04961	31.5
95.08601	25.1
97.06554	11.3
97.10206	9.4
105.07026	23.4
107.04961	17.5
107.08583	19.0
109.06464	8.2
109.10142	11.2
111.01392	9.8
113.09633	30.8
117.07018	12.2
118.07458	7.7
119.08556	21.8
121.10133	19.2
133.10101	11.8
147.04341	6.8
147.11670	15.1
149.09599	19.7
151.11156	12.1
159.11703	7.9
163.11211	27.7
165.12802	55.1
209.06898	8.4
216.80980	8.2
223.13361	13.3
225.36183	8.8
257.18912	10.5
275.20035	34.6
276.20447	16.5
277.21637	62.4
279.82715	6.9
291.19614	44.8
293.21179	65.5
294.21198	13.3
295.22766	100.0
308.19232	8.3
408.11111	7.2
522.38562	9.2
621.27417	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	620.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.9
55.05505	29.6
57.07061	6.1
67.05504	25.0
69.07063	15.3
69.38028	66.6
78.57631	7.6
79.05508	35.8
81.03407	12.6
81.07056	74.6
83.08625	18.8
85.10146	22.3
91.05470	32.1
93.07030	34.0
95.04955	31.7
95.08596	19.5
97.06538	8.2
97.10181	23.0
98.20779	14.3
105.07027	31.6
107.04981	20.3
107.08603	24.0
109.06507	8.4
111.08086	10.8
113.09648	26.5
117.07027	9.0
119.08574	34.2
121.10164	9.8
123.08124	13.4
125.09641	13.0
131.08551	20.7
133.10115	8.4
135.08040	11.7
135.11661	11.7
137.09540	7.8
143.08513	9.7
145.10156	17.0
147.08043	16.3
147.11658	11.3
149.09619	10.3
161.09639	13.4
163.11171	19.8
165.12778	39.2
171.11705	6.7
182.13084	6.6
189.11200	15.2
193.12337	16.2
195.54869	7.1
204.81775	8.0
263.10480	7.4
273.18625	53.0
275.20132	17.2
277.21722	40.9
291.19513	100.0
293.21109	23.5
295.22604	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	619.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.1
55.01867	16.3
55.05510	31.2
57.03431	11.6
65.03926	5.4
67.05508	44.1
69.07070	8.9
70.77747	5.0
70.78072	11.6
71.08618	3.9
79.05485	36.8
81.03399	6.6
81.07063	53.0
82.07374	5.2
83.04975	10.0
83.08618	18.2
85.06533	6.3
91.05488	35.8
93.07062	28.9
94.41724	4.2
95.04974	69.1
95.08607	18.5
97.06552	4.7
97.10145	18.2
99.08121	5.6
105.07039	23.0
107.04956	11.4
107.08605	18.9
109.06513	43.1
109.10125	9.8
111.08103	8.3
113.06023	7.9
117.07027	15.0
119.08582	20.1
121.06498	9.1
121.10158	10.5
123.08061	8.5
125.09642	7.5
127.48588	4.2
129.07007	4.5
130.34149	3.8
131.08542	17.0
133.06490	6.5
133.10129	7.0
135.08032	29.2
135.11667	7.6
143.08571	10.5
145.10124	12.7
147.08051	9.1
149.09624	17.4
153.09114	8.0
159.11691	8.5
161.09659	9.0
163.11169	19.8
175.11040	5.6
184.60455	4.9
189.11234	10.6
217.15950	5.0
223.13348	20.8
273.18542	40.8
275.20065	23.3
291.19568	100.0
292.19839	14.6
293.21094	75.7
309.20441	5.9
620.97491	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	620.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	15.5
55.01868	27.3
55.05510	26.5
67.05502	83.4
69.03423	42.1
69.07069	29.4
70.02945	28.9
70.67513	14.4
70.67887	18.9
71.04991	21.3
73.02895	13.2
79.05493	50.0
81.03425	42.8
81.07060	94.2
83.04980	15.8
85.02882	20.2
91.05464	33.0
93.07040	48.2
95.04971	12.7
95.08616	59.4
97.02885	39.2
97.10199	14.1
99.04452	63.4
105.07026	27.1
107.08582	30.4
109.02873	34.4
109.06518	10.6
109.10157	28.2
111.04475	15.0
117.07054	15.5
117.44730	9.7
119.08586	35.0
121.10148	19.4
123.11711	23.7
127.03918	100.0
131.08554	18.9
133.10161	14.0
135.11684	21.0
145.04959	18.6
145.10124	20.9
147.11650	18.9
173.13158	12.1
177.16130	8.8
184.13306	27.4
202.14383	13.0
261.22089	28.0
273.95480	10.6
277.21588	16.6
283.01901	27.8
290.72485	9.8
326.82925	10.9
333.75565	9.9
335.48767	10.9
405.26221	10.4
423.27280	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	619.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51527	0.9
53.03936	2.6
53.40517	0.9
55.01868	9.1
55.05271	1.4
55.05514	24.0
57.03433	2.1
57.07044	0.9
59.05012	1.0
65.03943	1.7
67.05506	24.0
69.03423	2.6
69.07069	7.7
69.61662	3.0
69.62084	3.6
70.03691	1.0
71.04990	2.5
71.08623	1.2
73.05532	1.0
74.93528	0.9
79.05495	35.7
81.03430	4.9
81.07059	79.0
82.07392	1.3
83.04994	7.8
83.08620	15.4
85.02900	3.5
85.06541	2.5
91.05482	17.8
93.07048	19.5
95.04970	45.0
95.08605	13.1
97.06519	2.5
97.10175	18.4
99.04438	1.7
99.08067	1.9
105.03416	1.4
105.06384	1.4
105.07030	14.9
107.04952	9.5
107.08601	16.0
109.06522	40.9
109.10178	5.8
111.04435	7.6
111.08064	8.3
113.09658	1.1
113.82457	0.9
115.05412	1.5
117.07028	13.3
117.58704	0.8
119.08584	25.7
121.06512	9.4
121.10163	8.9
123.08077	4.4
125.09624	14.6
129.07018	5.4
130.07765	1.0
131.08588	12.4
133.06483	2.5
133.10129	5.6
135.04527	1.0
135.08044	6.5
135.11685	5.9
137.09587	1.9
143.08560	3.6
145.06483	2.0
145.10120	15.9
147.08067	12.2
147.11667	3.7
149.09636	12.1
149.13240	1.6
151.11180	2.0
153.09148	10.4
153.12659	1.8
155.08635	1.2
157.10135	3.8
159.07971	2.8
159.11732	5.4
161.09616	9.4
161.13292	1.0
163.11182	18.0
165.09148	1.4
165.12798	2.2
167.10712	2.2
169.10107	2.6
171.10265	1.5
171.11662	3.6
173.09669	2.5
175.11162	2.2
177.09131	0.9
177.12738	4.1
179.10602	0.9
181.12291	2.6
185.13278	2.4
189.11235	14.8
191.10674	4.0
191.14310	1.1
193.12262	1.6
205.12241	1.8
209.11780	1.2
213.12813	0.9
219.13846	1.1
223.13272	15.0
227.12762	3.2
245.18916	2.0
247.20610	2.1
249.14769	4.8
255.17477	2.7
257.18906	2.3
273.18509	38.3
275.20093	17.4
291.19550	100.0
292.19882	2.8
293.21115	90.4
294.21353	1.4
309.20447	2.5
313.26974	1.2
547.37347	2.0
565.39026	1.8
583.39740	4.2
601.40717	1.9
619.39587	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01875	10.7
55.05515	27.1
56.96560	1.0
57.03435	3.3
57.07071	3.0
57.81116	0.7
59.04997	0.9
65.03945	1.8
67.05509	29.2
69.03439	3.9
69.06707	1.1
69.07067	9.2
70.87970	2.1
71.04990	2.4
71.08622	1.3
71.21190	0.7
72.23546	0.7
77.03951	1.1
79.05495	29.8
81.03426	5.2
81.07059	73.4
82.07402	1.4
83.04982	12.5
83.08138	1.1
83.08626	19.2
84.96030	1.1
85.02887	4.8
85.06544	1.7
85.10169	1.0
91.05484	17.6
93.07053	22.9
93.51244	0.8
95.04974	48.9
95.08615	14.7
97.06527	4.5
97.10177	21.6
97.10771	1.5
99.04445	2.7
99.08135	2.2
105.07037	14.9
107.04948	10.2
107.08596	17.8
109.06510	8.6
109.10149	7.8
111.04438	13.2
111.08089	10.0
113.09685	1.6
115.05427	1.0
117.07024	9.0
119.04892	0.8
119.08589	15.2
121.06525	8.1
121.10136	9.3
123.04463	0.8
123.08089	11.0
123.11714	1.7
125.05991	1.1
125.09637	18.1
128.06229	0.9
129.07036	3.9
131.08577	10.5
133.06528	2.3
133.10109	5.9
135.08064	6.6
135.11702	8.0
136.11926	0.8
137.09613	3.6
139.11227	1.4
141.06944	1.0
143.00150	0.8
143.08572	4.7
143.10695	0.7
145.06499	1.9
145.10123	14.8
147.08057	8.4
147.11662	3.9
149.09641	10.7
149.13283	1.4
151.11172	1.6
153.09105	12.7
153.12762	5.1
154.95038	0.8
155.08549	1.0
155.10669	0.8
157.10155	4.2
159.08070	1.7
159.11688	4.7
161.01311	1.3
161.09581	5.2
161.13274	0.9
163.11192	20.1
165.09117	1.7
165.12741	2.7
167.10721	2.8
169.10164	3.0
171.10249	1.3
171.11726	2.1
173.09657	2.0
173.13200	1.8
175.11211	2.0
177.12793	3.3
181.10146	0.9
181.12256	5.1
185.13261	1.2
187.11224	1.6
189.11224	18.5
189.12732	1.1
191.10657	5.3
191.14291	1.0
193.12288	2.9
205.12209	4.2
207.13857	0.9
209.11702	1.0
217.15932	1.0
223.13286	18.7
227.12787	6.6
227.17899	1.2
229.19466	1.0
245.19154	1.6
247.20569	1.3
249.14790	1.6
255.17545	2.6
257.19043	1.9
257.99438	0.8
273.18488	29.1
275.20099	16.7
282.98090	1.1
291.19559	48.0
292.19867	1.5
293.21121	100.0
294.21533	3.1
300.98929	0.9
309.20624	4.0
311.22147	3.1
343.39639	1.0
346.32431	0.8
375.58142	0.8
415.28558	1.2
447.31189	1.5
483.30780	0.8
547.37561	1.9
565.38641	3.5
583.40002	6.8
601.41162	6.3
619.24756	6.8
619.40387	2.9
620.24768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
55.01871	8.2
55.05513	28.3
56.96558	2.9
57.03429	3.0
57.07066	1.8
57.88795	0.7
59.05005	1.1
65.03944	2.0
66.18678	0.7
67.05510	25.1
69.03420	3.5
69.07072	8.4
71.04979	3.0
71.08610	1.5
71.33230	1.5
79.05495	28.7
79.05957	1.6
81.03416	6.1
81.07062	64.6
83.04986	11.2
83.08629	16.8
84.96015	1.6
85.02908	3.5
85.06535	1.9
85.10188	1.5
91.05490	15.5
91.55901	0.7
93.07046	18.8
95.04972	45.8
95.08613	10.8
96.45419	0.7
97.06549	4.8
97.10168	19.8
99.04462	2.1
99.08087	2.0
103.05447	1.5
105.06375	1.2
105.07038	13.8
107.04961	10.2
107.07867	1.1
107.08596	17.0
109.06525	7.7
109.10157	9.6
111.04443	12.7
111.08089	9.4
113.09626	1.0
115.05457	0.8
116.98583	1.0
117.07014	8.8
119.07807	0.9
119.08596	16.0
121.06512	7.6
121.10152	9.9
123.08069	11.0
123.11703	1.3
124.09341	0.9
125.09629	15.8
128.06200	0.9
129.05518	0.9
129.07024	4.4
131.08583	9.6
133.06511	1.8
133.10136	7.4
135.08066	5.4
135.11696	7.0
137.05972	0.9
137.09619	3.3
139.11153	1.1
143.00209	1.1
143.08626	4.7
143.10709	0.9
145.06488	3.1
145.10118	12.8
147.04414	0.9
147.08061	8.7
147.11684	3.3
149.09622	9.7
149.13214	1.1
151.11185	1.7
153.09128	12.6
153.12715	5.0
155.08594	0.8
157.10133	3.2
158.99516	0.8
159.08115	1.8
159.11751	5.5
161.01276	2.3
161.09644	4.9
161.13263	0.8
162.99147	0.8
163.11205	20.6
165.09146	2.2
165.12770	2.4
167.10722	2.1
169.10170	1.7
171.10254	1.2
171.11719	2.8
173.09612	2.8
173.13271	1.5
173.45689	0.8
175.11214	2.2
177.12744	3.1
179.14317	0.8
181.10686	1.0
181.12202	5.4
185.13275	1.4
187.11217	2.8
187.14944	0.8
189.11226	16.4
189.12868	1.1
191.10655	4.3
191.14362	0.8
193.12302	3.9
198.95818	1.2
201.00703	1.8
205.12236	4.7
209.11707	1.3
213.12578	1.0
215.18129	0.7
223.13278	19.6
227.12753	6.1
227.17987	1.5
245.19061	1.5
247.20496	2.0
249.14978	1.1
255.17369	1.9
257.18985	2.6
265.21683	1.0
273.18478	24.8
275.20078	16.1
282.98053	1.7
291.19543	50.9
292.19705	0.9
293.21124	100.0
294.21487	1.7
300.99164	1.0
309.20624	2.8
311.22272	3.6
311.25507	0.8
311.55496	0.8
319.19778	1.0
337.20465	2.4
354.71017	0.8
390.63263	0.8
413.30325	1.3
415.28961	1.1
443.28183	1.6
447.30225	1.0
547.37939	1.7
565.38745	3.0
583.40094	4.9
601.41309	7.6
619.24762	16.6
619.39581	4.1
620.24756	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01870	14.2
55.05514	51.2
57.03437	3.9
57.07079	4.2
65.03888	2.0
67.05167	4.1
67.05505	52.0
69.03429	4.0
69.07068	22.6
70.80093	6.6
71.04992	5.9
79.05497	40.4
81.03415	15.5
81.07061	92.2
83.04993	15.5
83.08627	37.6
85.02892	4.0
85.06540	4.2
87.04472	10.4
91.05483	33.9
93.07045	43.1
95.04973	51.8
95.08605	32.0
97.06538	10.7
97.10170	27.7
99.08070	5.7
105.07039	34.7
107.04958	17.1
107.08599	33.6
109.06523	22.6
109.10187	15.4
111.04446	10.3
111.08082	9.5
115.05430	2.8
117.07037	17.9
119.07781	3.4
119.08593	38.7
121.06561	11.4
121.10151	22.2
123.08084	20.0
123.11667	3.6
125.09635	24.3
129.06996	6.5
131.08571	19.4
133.06508	2.4
133.10144	19.5
135.08032	9.5
135.11699	9.9
137.09605	7.7
139.11137	2.0
141.06955	3.6
143.08556	7.2
145.06410	3.1
145.10110	31.9
147.08084	13.7
147.11681	18.1
149.09618	21.8
151.11163	4.1
153.09183	3.4
155.08548	5.0
157.10129	7.3
159.11707	10.6
161.09633	4.5
161.13319	3.3
163.11162	35.0
163.14812	3.1
165.09100	4.1
165.12764	5.7
169.10170	5.6
171.11734	5.9
173.09622	7.0
173.13252	4.0
175.11241	6.0
177.12769	3.7
181.12251	6.0
183.11679	3.1
187.11179	4.9
189.11229	21.3
189.12744	3.2
191.10658	8.8
193.12305	5.9
198.10429	2.3
209.11668	2.8
211.13211	3.7
215.14296	2.0
219.13922	2.7
223.13295	33.5
227.12750	9.4
227.17929	2.3
229.19519	4.0
239.17960	6.8
245.18987	2.8
247.20505	3.0
257.18906	10.9
273.18457	25.5
275.20062	86.1
276.20404	3.5
291.19559	100.0
292.19876	5.9
293.21127	70.7
309.20688	19.5
353.60693	2.1
565.38855	2.1
583.39935	5.7
619.43115	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	619.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01873	14.7
55.05512	48.8
56.05843	1.6
57.03432	6.1
57.07069	2.0
61.02953	1.6
65.03944	7.0
67.05507	70.5
69.03434	7.9
69.07068	46.9
69.48438	1.6
69.58509	4.6
69.58940	8.0
71.04989	5.9
71.08633	11.2
79.05497	61.6
81.03423	20.2
81.07061	100.0
83.04974	9.6
83.08626	27.5
85.02911	3.3
85.06535	5.3
91.05485	75.5
93.07047	55.2
95.04976	26.2
95.08607	44.7
97.02906	3.5
97.06515	13.6
97.10161	24.4
99.04453	3.2
99.08076	10.4
100.99592	1.9
103.05429	3.4
105.07036	81.0
106.07334	2.1
107.04953	15.7
107.08598	40.1
109.02872	2.0
109.06524	17.6
109.10158	28.1
111.04412	2.2
111.08061	10.1
115.05439	3.1
117.07023	22.6
119.08582	55.1
121.06481	8.0
121.10140	26.9
123.04408	3.5
123.08082	10.5
123.11704	7.5
125.09627	18.3
127.03929	2.6
129.07010	10.3
131.08572	36.2
133.06488	5.5
133.10136	47.9
135.08061	11.9
135.11678	11.6
137.09618	12.8
139.11153	2.2
141.07005	3.9
143.08553	7.6
145.06462	3.7
145.10135	22.0
147.08052	7.5
147.11690	30.1
149.09612	22.1
149.13292	5.5
151.11142	5.2
153.09169	3.0
155.08536	5.0
157.10149	9.9
159.11703	15.6
161.09604	8.3
161.13313	7.8
163.11194	8.8
165.09114	2.8
165.12721	5.0
167.10721	3.5
169.10153	4.7
171.11737	6.6
172.11076	1.7
173.09673	2.7
173.11729	5.0
173.13260	5.4
175.11221	4.9
177.12784	6.8
179.10680	3.0
181.12199	2.5
183.11746	5.1
185.13258	3.0
187.11185	4.6
187.14819	1.7
189.11226	8.6
189.12843	4.0
191.10881	1.5
193.12227	3.5
193.77419	1.9
195.13824	2.7
197.13312	3.7
199.14842	2.8
201.12712	2.3
203.14496	1.8
209.11661	2.0
219.13916	2.8
223.13271	6.1
227.18089	1.8
229.19447	2.9
233.15340	2.6
239.17976	4.1
241.14301	1.7
247.20549	3.1
251.16373	1.9
257.18994	11.7
263.19977	2.3
273.18384	11.1
275.20065	96.0
291.19525	29.7
292.19846	2.4
293.21234	14.8
303.19583	2.6
309.20584	5.3
317.21161	2.0
321.20511	3.1
329.21280	2.6
389.26865	3.3
401.26935	1.9
439.23135	4.4
441.30093	2.4
451.31573	2.7
457.24115	2.3
469.32907	4.1
549.39740	2.4
567.40424	17.0
585.41498	10.1
601.40997	4.7
619.41821	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	619.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59402	1.8
53.03941	8.1
55.01867	13.6
55.05260	3.5
55.05512	49.5
57.03432	5.5
57.07065	3.7
63.02426	1.8
65.03918	2.4
65.13345	1.7
65.33944	2.0
67.05503	44.6
69.03421	5.4
69.07064	21.7
70.65256	6.7
71.05001	6.5
79.05492	47.2
81.03429	13.3
81.07056	85.8
83.04977	15.3
83.08617	32.2
85.02905	2.5
87.04466	8.3
91.05479	38.2
93.07047	40.8
94.74092	1.8
95.04971	49.4
95.08611	26.0
97.02882	2.0
97.06544	10.7
97.10179	18.8
99.08091	5.3
105.07035	31.7
107.04970	17.5
107.08599	31.9
109.06528	15.5
109.10152	14.7
111.04446	8.6
111.08095	11.8
115.05462	2.6
117.07014	14.8
119.08588	33.7
119.09370	3.5
121.06515	9.0
121.10130	16.3
123.08086	19.1
123.11684	5.8
125.09628	17.9
129.07001	5.8
130.07822	2.0
131.08592	18.6
133.06503	4.9
133.10129	17.5
135.08052	10.4
135.11720	9.5
137.09615	7.2
139.11209	2.3
143.08563	6.6
145.06534	3.6
145.10136	22.0
147.08092	11.1
147.11684	13.4
149.09619	22.5
149.13293	4.2
151.11134	4.7
153.09137	5.4
153.12746	2.6
155.08554	4.6
157.10178	6.0
159.11691	13.5
161.09641	6.8
161.13341	2.6
163.11198	32.1
165.09131	5.0
165.12791	3.8
169.10078	2.5
171.11664	5.1
171.89076	2.0
173.09673	7.3
173.11919	2.2
173.13293	3.7
175.11188	4.9
177.12701	3.8
181.12215	4.7
183.11691	4.7
187.11197	4.2
189.11191	19.0
191.10699	7.6
191.14296	2.0
193.12279	3.9
196.43878	2.0
199.14922	2.8
209.11777	3.2
211.13377	2.3
223.13278	24.0
227.12781	7.3
229.19630	4.6
239.18011	6.7
245.19054	3.2
247.20619	2.8
255.17395	4.0
257.19028	7.3
273.18488	23.3
274.18814	2.1
275.20053	83.4
276.20554	3.9
277.21515	2.7
289.17957	2.4
291.19547	100.0
292.19919	5.6
293.21109	67.1
293.24252	4.2
294.21603	3.6
309.20615	20.2
530.51660	1.9
553.26862	2.1
565.38348	4.5
583.39764	5.9
601.40912	4.1
619.43134	10.2
629.57428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01868	7.9
55.05515	23.5
57.07076	3.7
67.05511	28.3
69.03430	5.3
69.07073	15.3
69.90446	6.8
69.90858	6.0
70.18419	2.0
71.04977	2.3
71.08645	3.0
79.05499	24.2
81.03435	6.9
81.07062	41.5
83.04982	8.8
83.08625	19.1
87.04445	3.6
88.81657	2.1
91.05497	18.9
93.07034	22.5
95.04971	31.4
95.08603	14.9
97.06552	5.5
97.10181	15.1
99.08122	5.4
103.05545	2.3
105.07033	17.0
107.04964	8.3
107.08578	16.0
109.06513	9.6
109.10181	10.4
111.04464	5.5
111.08093	6.3
113.09641	2.5
117.07017	7.1
119.08573	18.7
121.06526	11.5
121.10155	9.2
123.08053	5.9
123.11777	2.6
125.09637	11.4
129.06955	3.6
131.08542	13.3
133.06496	3.7
133.10150	10.3
135.08093	4.4
135.11720	5.0
143.08575	5.0
143.10555	2.4
145.10074	12.4
145.18588	2.3
147.08116	6.1
147.11740	8.0
149.09650	8.4
149.13283	4.4
151.11121	4.3
153.09146	3.7
157.10190	4.0
159.11734	3.5
161.09702	3.7
161.13268	2.1
163.11186	12.5
165.09192	3.8
165.12814	6.5
169.57544	2.1
171.10281	2.4
173.09688	2.4
173.13274	2.7
175.11163	3.2
175.14821	2.6
177.12802	3.8
181.12140	2.8
183.11719	3.0
187.14798	2.5
189.11267	7.7
191.10640	4.1
193.12294	4.3
223.13135	11.0
227.12744	3.4
257.19058	2.9
271.16843	2.2
273.18549	12.5
275.20056	32.2
277.21616	6.8
289.18091	6.0
291.19553	65.7
292.19852	2.4
293.21140	100.0
295.22687	10.4
309.20612	5.2
450.72272	2.8
565.40314	2.4
583.40375	6.1
601.40912	32.7
619.44452	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	618.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01864	7.2
55.05512	32.3
57.03431	2.0
57.07071	2.0
65.03934	2.1
67.05505	31.7
68.98923	1.0
69.03426	4.2
69.06715	1.6
69.07066	19.3
69.29955	2.5
69.30362	9.6
71.04990	2.3
79.05490	30.7
81.03425	10.5
81.07059	31.8
82.07349	1.4
82.36882	1.3
83.04986	6.8
83.08616	35.7
85.02893	1.2
85.06553	2.7
87.04488	2.8
88.76912	0.9
90.54713	1.0
91.05476	28.5
93.06462	2.1
93.07043	29.2
94.07355	1.2
95.01334	1.2
95.04967	38.4
95.08606	22.5
97.06512	5.4
97.10159	13.1
98.20625	1.0
99.08129	1.3
103.05460	1.1
105.07032	28.9
107.04953	15.1
107.08588	21.4
109.06512	6.2
109.10153	10.5
111.08070	7.1
115.05513	1.3
117.07017	12.3
119.08579	24.8
121.06509	5.8
121.10138	16.8
123.08095	6.9
123.11668	2.6
125.09639	9.0
125.50715	1.0
126.50252	1.0
129.07007	6.4
130.07774	1.4
131.04932	1.8
131.08580	15.1
133.06528	2.7
133.10135	17.7
134.07271	1.0
135.08017	6.0
135.11708	9.1
137.09608	4.7
139.11182	2.1
141.06985	2.2
143.08543	5.5
145.06493	2.8
145.10112	23.5
147.08073	8.0
147.11679	9.8
149.09618	25.8
149.13214	1.8
150.09955	1.2
151.11203	2.1
153.09111	1.6
155.08554	4.6
157.10146	4.5
159.11699	11.1
161.09633	2.8
161.13272	3.7
163.11182	31.0
165.12801	5.0
169.10136	4.7
170.67557	1.1
171.11713	4.5
173.09613	5.5
173.13235	2.3
175.11188	3.4
175.14751	1.6
177.12749	4.1
179.10735	1.1
179.14166	1.5
183.11719	3.4
187.11180	3.1
189.11218	7.7
189.12733	2.0
191.10645	1.4
193.12283	1.9
195.11737	1.5
197.13287	2.2
199.14871	1.3
201.12636	1.3
205.12207	3.0
213.16350	1.1
223.13281	31.2
227.12817	1.3
229.19473	3.0
239.17963	9.0
247.20628	2.6
249.14847	2.2
255.17421	1.4
257.18994	14.2
273.18454	9.7
275.20056	81.7
276.20377	3.0
291.19537	100.0
292.19803	2.9
293.21100	69.6
294.21429	2.4
295.27808	1.0
344.82449	1.0
424.47992	1.2
583.39294	1.9
612.35150	1.1
618.41589	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03440	1.1
67.05499	2.6
69.03435	1.8
69.07063	2.9
70.06596	3.0
71.60172	1.3
72.08152	1.0
72.35838	1.0
73.02908	1.0
79.05480	1.5
81.03410	1.6
81.07059	3.1
84.08110	0.9
85.02910	1.8
91.05508	2.9
91.41368	0.9
93.07067	1.7
94.06568	4.1
95.04978	1.4
106.06572	1.3
107.04934	1.1
108.08129	2.3
109.02856	1.1
109.10199	1.4
112.07609	1.4
119.04942	1.1
120.08120	1.7
122.06045	10.9
134.05994	1.7
136.07593	35.8
137.05995	2.8
140.07057	14.9
145.02809	1.1
146.06001	6.3
147.04422	2.7
148.07585	14.7
150.09151	3.3
152.07135	1.4
158.05965	1.5
164.07076	62.0
166.08655	13.8
166.09973	1.5
167.07063	1.2
174.05534	2.5
175.03955	1.3
175.11913	1.2
176.07079	9.4
177.05484	2.8
190.05038	3.5
192.06546	1.2
192.10172	1.1
195.06392	1.1
207.06531	1.7
209.10695	1.5
210.11455	1.9
211.12343	4.0
212.13115	2.2
218.08232	2.6
221.10844	1.0
222.11452	1.3
223.12367	3.5
224.13071	2.7
225.10272	1.9
225.13768	2.2
227.11787	1.7
235.12234	1.3
236.13013	1.3
237.10147	4.9
237.13939	3.2
238.11026	8.5
239.11804	17.5
239.15550	1.2
241.13393	1.3
249.10292	2.1
250.11121	1.8
251.11797	11.4
252.12714	3.7
253.13371	7.3
261.12534	1.0
263.11868	5.3
264.09015	1.7
264.12460	1.7
265.10156	2.1
265.13370	17.4
266.10718	1.0
266.14020	1.2
267.11200	2.3
267.14999	1.1
269.12891	1.6
271.14420	7.7
275.11951	1.4
277.13330	1.0
278.10480	2.0
279.11267	50.2
280.11990	4.2
281.12619	1.3
283.10898	1.9
283.14435	5.0
284.14990	1.5
287.13882	17.6
289.15582	4.4
291.11295	2.3
293.12900	7.4
294.13495	1.2
295.10907	3.9
295.14523	1.2
295.70099	1.1
296.11771	3.0
296.15482	1.2
297.12366	30.5
298.13202	6.9
299.13861	2.0
309.12360	13.7
310.13187	8.3
311.13910	65.0
312.14685	14.0
313.06027	1.1
313.11871	2.9
313.15421	34.0
314.16022	1.5
315.04974	0.9
319.10767	2.9
321.12247	3.3
324.11069	1.3
325.11697	3.2
331.12784	2.2
337.11795	22.2
338.12650	8.4
339.13406	39.1
340.13934	2.7
341.14981	1.4
357.14520	4.0
385.13614	1.1
392.19528	1.9
394.93817	1.1
402.18060	1.6
434.20807	4.2
438.20364	3.5
442.17432	2.2
452.21841	100.0
453.22195	4.2
460.18689	33.2
461.19196	1.4
464.18262	2.0
466.19714	1.1
478.19781	25.1
479.20468	1.8
480.21481	5.7
496.21033	2.1
575.28613	14.0
583.25208	1.4
600.29791	1.1
601.26575	38.8
619.27283	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	618.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01865	6.7
55.05519	30.1
61.58704	2.3
67.05170	2.8
67.05509	37.8
68.73292	2.0
69.03452	3.0
69.07070	15.4
71.04979	5.7
71.43151	5.4
79.05499	23.0
80.51882	2.2
81.03412	10.0
81.07060	37.3
83.04980	7.3
83.08620	25.1
84.23264	2.0
85.06567	2.6
86.96836	2.1
87.04472	8.9
91.05491	31.8
93.07056	26.2
95.04990	22.1
95.08613	19.4
97.06529	6.3
97.10155	4.4
105.07037	28.8
107.04960	16.9
107.08611	27.4
109.06543	6.6
109.10159	25.0
111.08083	5.9
113.06076	2.6
115.06202	2.2
117.07021	9.1
119.08598	21.2
121.06525	9.9
121.10149	12.0
123.07157	2.1
123.08085	3.4
123.11704	3.8
125.09662	4.4
129.07033	3.2
131.08598	13.8
133.10146	42.3
135.08052	7.6
135.11726	10.6
137.09674	2.4
145.06432	3.1
145.10132	21.0
147.08156	3.3
147.11687	10.2
149.09618	22.6
151.11191	20.7
159.11699	6.8
161.09660	3.6
161.13298	3.8
163.11215	27.6
165.12781	5.5
169.12270	9.7
171.11699	4.8
173.09630	5.5
173.13281	2.5
175.11124	3.3
177.09123	3.2
177.12810	4.2
183.11673	3.1
187.11249	3.1
189.11244	5.2
197.11615	2.3
197.13321	4.7
215.12726	2.9
223.13295	18.7
229.19630	4.1
239.17926	7.8
249.14934	3.6
257.19031	11.0
273.18500	7.0
275.20081	100.0
276.20413	2.7
290.18628	2.9
291.19540	18.1
293.17831	3.6
293.21152	72.2
309.20651	2.5
380.99335	2.6
416.49997	2.7
454.99399	2.2
482.97870	2.7
583.39966	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	618.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03560	3.0
53.03954	4.1
55.01871	6.0
55.05309	2.3
55.05516	32.1
55.67565	2.4
57.03425	3.5
59.20858	2.2
62.00396	2.1
67.05510	30.8
69.03429	5.1
69.07066	12.2
71.05000	3.8
71.22430	5.0
71.22784	3.3
71.42657	2.1
75.98111	2.1
77.03905	2.6
79.05497	30.5
81.03416	8.3
81.07063	52.1
83.04978	7.8
83.08627	28.4
87.04469	10.9
91.05477	26.9
93.07056	28.0
95.04987	21.3
95.08622	19.8
97.06519	7.5
97.10182	14.7
105.07038	28.6
107.04969	14.8
107.08593	21.9
109.06510	10.6
109.10140	10.5
111.04414	3.0
111.08081	8.6
114.06609	2.7
117.07015	16.4
119.08584	36.8
121.06520	5.6
121.10157	16.0
123.08086	8.6
125.09642	14.9
129.07033	4.2
131.08546	20.3
133.06473	4.2
133.10150	18.0
134.71524	2.7
135.08051	6.6
135.11665	8.9
137.09610	4.6
141.07001	2.6
143.08543	6.4
145.10127	26.6
147.08046	12.7
147.11708	10.0
149.09641	18.7
151.11200	3.5
153.09113	6.1
153.12657	3.4
155.08611	2.3
157.10117	7.5
159.11717	12.3
161.09621	9.6
161.13312	2.8
163.11191	28.9
165.09117	5.9
165.12730	5.2
169.10181	4.2
171.11632	4.1
173.09628	3.7
173.13283	5.9
175.11197	6.0
181.12292	3.1
183.11597	2.4
189.11195	12.1
191.10611	4.7
201.12868	2.7
217.65143	2.4
223.13341	12.0
227.12813	6.2
239.18050	6.4
245.19026	3.1
255.17540	3.0
257.19019	9.7
273.18530	32.9
275.17270	4.8
275.20108	69.2
276.20444	2.9
290.18680	4.4
291.19568	100.0
292.19977	5.6
293.21146	21.2
309.20596	5.5
347.51947	2.3
390.25174	2.4
402.72903	2.7
547.37927	3.5
565.39581	4.2
583.39795	6.8
601.40674	3.5
617.83258	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	617.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01863	5.5
55.05523	17.7
57.03427	6.6
65.03955	1.9
67.05512	28.3
69.03423	3.7
69.07078	8.5
70.54639	1.5
70.78011	4.5
71.04989	2.9
77.20272	1.4
79.05502	28.5
81.03425	3.7
81.07065	45.5
82.07384	2.2
83.04979	5.2
83.08632	10.4
85.02892	2.6
85.06547	3.3
91.05498	20.7
93.07053	22.1
95.04983	29.2
95.08640	11.8
97.06519	3.9
97.10159	12.5
105.07042	17.0
107.04962	6.3
107.08616	13.0
109.06533	37.8
109.10155	6.7
109.36382	1.6
111.04448	3.0
111.08031	1.7
113.06001	5.8
115.05456	2.0
117.07021	10.1
119.08591	18.1
121.06516	8.4
121.10165	8.0
123.08099	9.2
125.09685	8.4
128.06230	2.9
129.07077	7.6
129.07928	1.3
131.08591	13.6
133.06459	4.1
133.10126	6.9
135.08072	26.0
135.11711	5.9
137.09641	3.0
141.07025	1.6
143.08556	6.6
145.10146	14.0
147.08092	9.5
147.11664	3.3
148.14819	1.6
149.09634	7.6
153.09151	3.1
153.12790	1.7
155.08539	2.2
157.10175	4.8
159.08034	3.0
159.11699	5.6
159.12906	1.5
161.09674	8.1
163.11160	7.6
165.09094	2.4
169.10176	1.7
171.11720	3.2
173.13239	2.9
175.11220	2.2
177.12764	2.6
181.12245	3.7
185.13263	2.0
189.11237	6.8
189.12758	2.0
191.10735	3.2
198.13800	1.7
201.12701	1.8
217.15939	6.1
223.13326	2.3
227.12846	2.0
227.18002	1.8
245.19078	3.7
249.14876	2.0
255.17542	3.8
273.18527	40.5
274.18900	1.6
275.19968	4.4
289.18018	1.9
291.19574	100.0
293.21088	1.8
309.20721	2.2
394.58591	1.5
617.43292	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01872	9.3
55.05516	28.8
57.03429	7.0
57.07053	4.4
62.61806	3.1
63.35884	2.7
67.05511	29.9
69.03432	4.0
69.07070	15.6
71.04995	5.8
79.05494	34.2
81.03430	9.7
81.07061	78.7
83.04987	12.0
83.08636	15.1
85.02893	4.6
85.86692	3.2
91.05485	25.2
93.07039	28.7
95.04990	21.4
95.08611	20.4
97.06564	5.4
97.10162	16.0
99.08073	4.0
104.38119	3.3
105.07046	23.1
107.04987	14.6
107.08595	22.0
109.02887	4.1
109.06519	21.5
109.10162	12.3
111.04454	10.9
111.08091	7.4
112.29893	3.3
117.07014	15.7
119.08569	28.6
121.06523	9.9
121.10132	16.6
123.08066	19.6
125.09647	14.0
128.06224	4.3
129.06992	7.0
131.08604	20.7
133.06483	6.4
133.10133	16.5
135.08055	12.3
135.11716	10.7
137.09607	4.7
143.08626	8.9
145.10150	19.3
147.08044	14.7
147.11720	5.3
149.09663	8.9
153.09200	5.6
157.10194	7.5
159.11684	6.5
161.09636	10.5
163.11162	16.1
165.09178	8.1
167.10680	3.1
169.10158	5.5
171.11766	7.0
173.09644	4.0
173.13269	5.2
177.57524	3.8
181.12244	10.7
183.11746	4.1
185.13264	5.0
187.11232	3.6
189.11201	19.4
189.12686	3.5
191.10701	5.0
193.12279	3.5
215.14378	4.9
217.15825	3.9
221.15442	4.9
223.13252	6.9
227.12831	10.6
249.15085	3.4
255.17523	5.0
257.19077	4.5
273.18463	49.1
275.19986	8.7
285.13599	3.7
289.18051	4.3
291.19525	100.0
300.18259	2.9
309.20758	5.6
312.14957	3.0
362.26056	3.4
540.49426	3.3
581.38361	9.5
599.39673	10.9
617.42822	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	617.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01873	6.3
55.05512	21.6
57.03420	3.1
57.03667	0.6
63.63307	0.7
65.03925	1.2
67.05173	1.2
67.05505	21.2
69.03423	4.4
69.07073	10.1
69.76991	4.6
70.16921	0.6
71.04977	1.6
79.05493	24.1
81.03417	3.8
81.07059	43.1
81.41080	0.7
83.04985	5.7
83.08624	12.2
85.02890	1.8
85.06524	1.9
85.50340	0.6
91.05484	17.4
93.07048	18.9
93.12321	0.6
95.04969	23.1
95.08607	11.8
97.02889	1.6
97.06515	3.2
97.10176	14.3
98.21542	0.8
99.04443	2.1
99.08112	0.7
105.07033	16.7
107.04954	8.7
107.08597	15.2
109.06523	10.6
109.10168	7.0
111.04430	6.4
111.08077	4.8
115.05402	1.1
116.06243	0.9
117.07019	9.0
119.04928	0.8
119.07782	1.4
119.08580	17.7
121.06508	7.1
121.10154	8.3
123.04456	1.5
123.08061	9.8
123.11706	1.3
125.05978	0.8
125.09612	9.9
129.07016	4.7
130.07864	0.9
131.08566	9.9
133.06499	3.0
133.10136	7.9
134.07338	0.8
135.08073	6.3
135.09016	1.0
135.11717	4.6
137.09624	5.4
139.11159	1.5
141.06981	1.1
143.08534	4.4
145.06491	2.2
145.10132	12.0
147.08061	8.1
147.11714	4.2
149.09587	7.1
149.13281	2.0
151.07549	0.9
151.11226	1.1
153.09120	3.3
153.12704	1.2
155.08543	1.5
157.10121	4.3
159.08049	2.2
159.11693	5.0
161.09662	5.0
161.13280	2.1
162.10413	0.9
163.07523	0.9
163.11172	9.8
165.09116	4.3
167.10628	1.0
169.10138	1.7
171.11667	2.5
173.09612	1.4
173.13260	1.4
175.11180	4.3
177.09145	0.7
177.12740	1.7
179.10713	0.9
181.12219	3.2
183.11739	1.1
185.13260	1.2
187.11208	1.0
189.11218	9.6
189.12700	1.6
191.10661	2.9
193.12236	4.0
195.11908	0.7
205.12207	2.7
211.14990	0.7
213.16400	1.1
221.11719	0.7
223.13277	9.8
227.12770	3.4
227.17958	0.9
229.19492	1.4
239.17960	0.9
245.19017	1.2
247.20569	1.6
249.14922	3.3
255.17421	1.9
257.19022	1.9
273.18506	18.1
275.20074	23.8
289.18036	6.1
291.19550	100.0
292.19958	0.9
293.21143	8.5
307.19006	3.2
309.20679	5.4
358.49640	0.8
411.28391	0.9
563.37134	1.5
581.38330	3.6
599.30212	1.4
599.39392	21.5
617.41254	2.1
646.43176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	4.1
57.07076	46.4
59.05004	18.2
61.02923	1.8
67.05507	5.0
69.03413	2.0
69.07064	4.1
71.08634	87.0
71.60793	2.3
73.06551	4.4
79.05494	5.4
81.07052	4.8
83.04944	2.2
85.10178	42.3
87.04473	10.4
89.06032	100.0
91.05479	4.6
92.81549	1.8
93.07066	4.6
95.04964	3.0
95.08611	4.1
103.07584	4.4
105.07037	4.5
107.04986	2.2
107.07068	6.4
107.08601	2.7
109.06534	2.2
109.10152	2.6
117.09133	4.5
119.08578	3.9
121.10159	1.8
127.14845	5.1
130.08632	6.1
131.07056	5.0
133.08603	76.1
135.11707	1.5
143.08578	1.7
145.10133	3.0
149.09689	2.0
157.10237	1.5
163.11224	2.0
175.09683	3.3
177.11234	35.1
177.12689	3.0
185.18996	12.2
193.12390	1.7
219.12125	2.6
221.13728	8.9
229.21672	6.5
239.14801	3.2
279.75647	2.1
283.17487	2.9
291.19455	5.0
311.95004	2.1
327.20038	3.3
371.22690	2.6
415.25351	21.4
455.28571	3.2
505.84811	1.9
599.42969	5.2
616.46045	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	617.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
55.05511	1.2
56.96568	17.1
67.05499	3.1
69.07049	1.2
71.58182	1.0
71.58569	1.2
79.05490	2.5
81.07055	4.0
83.04993	1.0
83.08612	1.2
84.96032	13.2
91.05495	3.4
93.07043	2.6
95.04955	1.6
95.08620	2.8
97.06508	0.8
97.99142	0.7
98.97585	8.5
99.14970	0.7
102.97082	2.2
105.07051	2.6
107.08599	2.1
109.06502	1.7
109.10149	1.6
110.97608	1.5
116.98618	7.3
119.08582	2.3
121.10158	2.6
122.88689	0.7
123.08042	0.8
124.99154	1.2
128.98590	2.2
131.00162	1.9
131.08591	1.5
133.10156	2.0
134.99667	4.3
135.11717	1.6
140.00172	1.0
140.98570	0.9
143.00146	6.1
144.98106	1.8
145.10089	1.4
146.99667	4.6
147.11664	1.0
149.01247	2.8
151.07608	0.9
155.00171	1.3
157.01736	1.1
157.10138	1.0
158.99731	1.1
161.01219	12.8
162.99168	6.3
165.00789	1.3
167.02266	2.0
173.01254	3.4
175.02962	0.9
177.00761	1.5
177.16422	1.0
179.02257	3.8
180.94798	0.7
181.00262	1.0
181.12279	0.9
182.99657	3.0
184.02879	2.9
186.00778	1.1
190.95340	1.4
191.02271	1.7
198.95909	4.6
201.00690	10.5
216.96945	1.9
219.01793	3.1
221.97523	1.3
224.02362	1.8
228.96918	1.5
240.96985	3.5
242.98518	1.9
246.95927	1.0
258.97989	1.6
264.96823	7.9
275.20157	1.8
282.97949	12.7
287.98560	1.3
291.19516	1.2
296.99628	1.6
300.98972	10.4
305.99667	3.9
317.17886	17.4
317.21390	1.4
324.00751	2.1
335.18967	8.1
357.01709	1.1
358.20654	3.4
375.02856	2.3
391.21957	1.8
502.81067	0.8
599.21942	1.7
599.40149	1.1
616.40222	1.4
617.23022	100.0
617.40680	5.1
618.23383	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	615.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01869	4.2
55.05515	20.9
57.03436	2.6
57.07082	7.2
57.28598	1.5
59.05011	1.5
61.02933	1.8
65.03924	1.9
67.05507	25.3
69.03435	10.9
69.07073	50.1
70.06599	1.8
70.11396	5.3
71.04994	2.7
71.08631	1.6
72.13534	1.4
73.02915	1.8
77.44921	1.4
79.05492	21.2
81.03424	4.8
81.07060	79.1
82.07405	2.1
83.04986	15.7
83.08627	16.1
85.02911	20.5
85.06538	9.9
91.05476	14.8
93.07047	41.5
95.04970	4.8
95.08610	61.1
97.02911	5.9
97.06539	7.2
97.10162	5.8
99.04467	2.9
99.08100	7.2
100.42906	1.7
103.05434	2.0
105.07037	22.4
107.04958	2.2
107.08600	43.6
108.08922	1.8
109.02902	3.7
109.06518	9.1
109.10161	34.4
111.04419	3.9
111.08092	15.9
111.11716	5.3
113.09691	1.7
117.07015	4.6
119.04990	2.4
119.08586	26.6
121.02864	3.1
121.06516	6.8
121.10149	34.8
123.08070	33.0
123.11700	17.4
125.06039	1.5
125.09666	3.8
127.03918	6.5
127.11207	5.0
128.06216	1.6
129.06989	4.3
130.04941	1.9
131.08582	9.9
133.06503	4.1
133.10133	21.1
135.07089	2.2
135.08046	16.9
135.11697	21.7
137.05989	19.0
137.09630	8.1
137.13240	10.6
139.07581	5.2
139.11111	1.7
142.07770	5.0
143.07190	1.5
143.08556	8.2
144.09258	3.4
145.04970	3.6
145.06480	1.7
145.10144	14.7
147.04433	2.9
147.08026	2.7
147.11691	21.5
149.09639	13.5
149.13258	14.2
151.07564	3.1
151.11208	2.4
153.05458	2.0
155.08514	3.0
156.09357	3.1
157.10124	22.4
159.11708	16.9
161.09636	11.9
161.13258	15.2
163.11183	12.7
163.14824	5.8
165.09151	1.5
165.12791	11.0
167.07161	7.6
167.08368	1.9
169.10100	2.8
170.10921	2.4
171.11687	12.9
173.09659	3.7
173.13228	11.2
175.11177	15.2
175.14832	5.5
177.05551	2.4
177.12741	13.2
177.16426	2.1
179.10692	4.4
179.14311	2.8
181.05005	3.0
181.12262	2.2
183.11731	4.1
185.13297	11.4
187.11116	6.8
187.14816	4.4
189.12772	13.0
191.07042	3.4
191.14267	7.5
193.12259	3.9
195.13789	2.5
197.13266	3.0
199.11073	1.6
201.12749	7.6
201.16595	1.8
203.14336	26.7
203.17992	2.5
205.19617	3.0
209.08134	1.9
209.19008	2.8
211.14867	4.5
213.16417	6.4
215.14415	3.1
215.17981	3.1
217.15834	1.3
217.19501	2.3
219.17532	1.5
223.20592	4.2
227.17966	8.2
229.15894	5.3
229.19531	2.3
231.17389	10.0
233.18983	9.6
237.16327	1.9
239.18068	3.5
241.15933	2.1
241.21718	7.5
243.17516	5.5
245.19038	20.0
245.21483	1.7
245.22612	2.0
247.20679	6.8
251.18037	1.9
255.17390	6.7
257.19147	11.3
259.17123	1.4
261.18445	3.8
263.20026	13.0
263.23877	1.6
269.18942	2.0
271.20642	2.0
271.24191	1.7
273.18539	6.5
275.20041	4.7
289.25253	4.5
297.22058	1.5
308.09299	1.7
316.05557	1.8
317.06082	3.1
331.07993	4.2
332.08438	3.9
371.32935	2.2
381.31512	23.5
389.15997	1.9
399.32599	79.1
400.32684	2.7
417.33643	100.0
418.34134	3.2
435.34717	36.8
453.35822	12.8
601.00360	1.7
614.21075	1.7
615.29010	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	615.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29356	1.8
53.03940	3.0
55.01875	8.3
55.05517	22.6
57.03442	3.0
57.07069	3.0
59.04994	1.6
61.54393	1.8
64.29193	1.9
65.03928	2.6
67.05508	22.7
69.03420	5.2
69.07078	10.0
69.46937	15.1
74.93990	2.3
79.05501	31.9
81.03422	5.3
81.07062	60.8
81.37600	1.7
82.27557	1.7
83.04979	7.6
83.08632	12.4
85.06532	3.2
91.05485	21.4
93.07055	23.6
95.04975	15.3
95.08607	14.4
96.29468	1.9
97.02938	2.4
97.06544	3.7
97.10175	14.4
105.07037	21.2
107.04961	12.3
107.08605	17.1
109.02901	5.4
109.06519	16.1
109.10160	8.0
111.04453	10.6
111.08081	6.2
117.07009	12.5
119.04964	2.0
119.08597	20.8
121.06512	10.0
121.10153	8.4
123.08080	11.9
125.09634	14.9
128.06215	2.8
129.07056	3.7
131.08582	9.3
133.06476	5.0
133.10155	9.4
135.08075	13.7
135.11658	4.6
137.06017	2.3
137.09634	5.4
139.11188	2.0
142.07744	2.0
143.08540	6.6
145.06549	4.5
145.10146	17.6
147.08037	11.7
147.11703	5.7
149.09692	4.9
151.07581	2.5
153.09120	6.7
157.10141	8.2
159.08096	6.0
159.11769	3.4
161.09613	8.3
163.07593	5.6
163.11172	8.4
165.09113	3.2
169.10182	3.5
171.11726	4.5
173.09705	5.0
173.13280	2.7
175.11314	2.6
175.14919	2.3
179.10718	2.4
181.12239	3.6
189.09608	1.8
189.11208	12.1
195.11613	1.7
199.14745	2.2
205.12076	2.3
214.48955	2.1
221.15402	2.9
223.13397	3.9
227.12827	5.8
243.17406	4.4
245.19186	3.3
249.14868	2.6
255.17513	5.8
261.18625	4.2
271.17007	7.3
273.18524	25.5
289.17972	36.3
289.20886	3.0
291.19562	100.0
292.19907	3.7
299.20023	2.1
307.19073	3.7
309.20734	6.3
498.83664	2.1
615.41077	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	614.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
55.05515	2.1
57.03437	0.6
57.07064	0.6
65.03940	0.8
67.05505	3.7
69.03427	1.4
69.07074	2.7
69.39886	0.6
69.40289	2.2
70.06577	0.8
71.04993	0.4
77.03918	0.3
78.98320	0.3
79.05490	1.8
81.03406	1.2
81.07057	4.6
83.04966	0.7
83.08623	1.3
85.02895	1.3
85.06536	0.8
89.03889	0.4
91.04903	0.6
91.05478	11.3
92.05821	0.3
93.07044	3.4
95.04961	1.3
95.08612	6.9
97.02865	0.6
97.06546	0.4
97.10172	0.7
98.20788	0.7
99.08009	0.3
103.05477	0.5
105.03436	0.4
105.07029	3.2
107.04945	0.7
107.08598	6.3
109.02879	0.7
109.06499	1.8
109.10162	11.6
110.10477	0.4
111.08068	0.8
117.07061	0.5
118.97066	0.3
119.04948	17.0
119.07776	0.6
119.08582	7.0
121.09309	0.7
121.10148	8.9
121.11022	0.5
123.08085	1.9
123.11711	3.7
125.09640	0.9
125.48339	0.3
127.03932	0.9
129.06995	0.5
131.04947	0.7
131.08604	0.4
132.02095	0.3
133.10139	6.0
135.04388	0.4
135.11710	6.1
137.05965	1.1
137.09621	3.2
137.13260	1.2
139.11160	0.6
145.02800	0.6
145.04945	0.4
145.06474	0.5
147.04414	15.0
147.11644	1.2
148.04823	0.3
149.13252	5.4
151.03918	4.7
151.11234	0.8
151.14830	1.3
157.03957	0.9
164.04709	0.5
165.16429	1.0
167.07056	2.4
168.07433	1.1
173.05931	0.4
175.03914	32.6
175.14832	8.4
175.16273	0.7
176.04295	0.4
177.05508	2.1
178.05789	0.6
179.07010	1.2
181.05005	1.5
181.06409	0.3
182.05305	0.4
189.09119	0.4
191.07051	0.4
192.04147	1.5
193.15891	8.9
207.06534	100.0
208.06880	2.1
225.07536	1.8
249.11244	0.3
285.12302	0.4
351.10684	0.9
353.16937	0.4
369.11783	6.4
385.12546	0.4
389.15958	1.3
399.21609	0.6
417.22595	0.5
452.23813	0.4
479.54013	0.3
597.20905	0.7
614.23157	1.2
614.42499	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	615.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77101	1.0
55.01875	2.0
57.03435	2.4
61.02916	2.0
64.83574	1.1
66.09924	1.2
67.05498	1.5
68.99778	1.8
69.03437	4.8
69.59972	8.7
70.06602	3.8
71.04978	1.8
73.02928	2.3
77.37546	1.0
81.03420	3.6
81.07068	1.3
84.08131	1.2
85.02909	12.5
86.09705	1.7
87.04520	1.1
91.05424	1.3
93.07014	1.4
95.04993	3.7
97.02914	4.9
105.07098	1.1
109.02885	2.3
111.04477	1.6
121.02882	3.3
123.04444	23.8
127.03918	3.0
137.06062	1.4
139.03914	12.9
145.02882	1.4
147.04402	2.0
150.03117	1.8
151.03915	55.1
152.04277	1.5
153.01845	2.7
155.03499	1.3
155.04739	1.3
159.04469	1.2
163.03960	2.7
167.07130	1.5
173.02917	1.3
174.12270	1.2
177.00919	1.3
177.05528	3.2
181.04845	1.1
183.04387	1.8
187.03975	2.1
197.02432	1.4
205.08743	1.3
215.03355	10.0
215.04918	1.0
237.05519	1.1
239.03452	2.9
243.02940	30.7
245.06096	2.7
250.11627	1.4
251.06999	1.2
253.05070	2.4
254.98131	1.1
255.02922	7.2
265.05057	1.2
267.02881	12.1
268.03857	1.2
271.02393	45.5
272.02805	1.4
273.05444	2.7
277.04803	1.4
281.04645	6.1
283.02536	11.8
283.05676	1.9
295.02536	5.5
301.04929	12.2
305.04514	6.0
305.07520	1.3
307.06143	2.1
309.03833	6.4
319.06015	3.3
323.05441	1.4
324.11426	3.4
327.04980	4.0
329.04526	10.9
333.03787	1.4
340.12878	1.8
347.05408	4.5
349.13165	5.2
349.63855	2.1
351.05014	4.5
357.03952	34.2
358.04428	1.8
374.04108	2.9
375.05078	12.2
385.03302	6.1
391.04315	2.7
393.06033	2.4
403.04547	53.0
404.04843	2.4
409.06555	1.3
421.05582	100.0
422.05933	4.5
453.08493	8.4
615.22754	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
53.33014	0.4
54.84306	0.5
55.01862	2.6
55.05511	7.5
56.05035	1.2
57.07077	0.7
57.88914	0.5
57.98794	0.8
58.99584	10.1
59.89184	0.4
62.50452	0.5
65.03935	0.5
67.05504	9.1
69.03432	2.3
69.07066	7.2
69.92308	1.9
70.06595	1.2
70.07406	0.5
71.04992	1.2
71.36256	0.5
73.02951	0.5
74.00678	0.5
75.86867	0.5
76.02229	45.9
76.03999	1.4
79.05495	16.7
79.05959	0.8
80.05011	1.1
81.03420	2.2
81.07059	43.0
82.07375	0.7
83.04980	2.1
83.06101	4.0
83.08624	3.7
84.04505	9.0
84.08163	0.5
85.02900	2.1
85.04021	0.6
85.06543	1.6
86.00658	1.0
86.99046	2.6
88.02213	1.1
91.05474	8.3
93.07040	10.7
94.07356	0.8
95.04963	4.0
95.08611	8.4
97.01122	0.9
97.02884	2.3
97.06527	2.2
97.10172	3.4
98.00600	1.0
99.04474	0.7
99.08083	0.7
100.02216	1.1
103.05418	0.7
105.07032	7.1
107.04961	8.7
107.08591	7.7
108.08923	0.8
109.02876	6.2
109.06521	20.6
109.07661	0.9
109.10152	4.6
111.04436	1.4
111.08082	2.4
111.11713	0.7
112.02206	5.3
113.00578	1.6
114.03735	1.9
115.05390	0.7
116.01674	16.6
117.07007	4.2
119.04945	1.2
119.08582	8.3
120.08965	0.6
121.06496	2.0
121.10150	5.0
122.10496	0.9
123.02619	0.7
123.04439	1.0
123.08076	5.5
123.11701	1.5
124.02195	1.9
125.09634	2.3
126.03709	1.6
127.02161	0.6
127.03915	0.8
128.06209	0.9
129.06691	2.2
130.05003	4.5
131.04930	0.6
131.08571	3.8
133.06499	1.5
133.10133	5.7
134.10561	0.8
135.02646	0.6
135.08060	7.7
135.11681	1.8
136.04037	0.7
137.05971	3.2
137.09589	1.8
138.03769	1.1
138.06352	0.9
140.01631	0.9
140.05238	0.5
141.04802	1.9
141.06934	0.6
142.03232	5.1
142.07802	1.0
143.08566	2.9
144.01143	8.1
144.09224	0.5
145.06465	2.2
145.10126	3.0
146.02670	0.9
147.04433	0.7
147.08066	2.4
147.11691	2.3
149.09615	2.1
151.05807	1.6
151.07538	0.6
151.11198	0.9
153.06595	1.5
153.09113	0.7
155.08440	1.3
157.10123	1.9
158.10519	0.7
159.08075	2.4
159.11697	1.5
161.09637	5.6
161.13222	1.2
162.02208	22.8
163.07562	2.0
163.11218	2.0
165.09183	1.0
167.05698	0.8
167.07027	3.6
168.07356	1.2
169.10103	1.3
170.02719	4.7
171.08028	0.9
171.11757	1.5
171.13818	0.5
173.09592	1.4
173.13268	1.2
174.10274	0.6
175.11205	1.8
177.03259	1.0
177.07474	0.8
177.09152	1.5
177.12746	1.4
179.04857	29.3
179.10686	4.8
181.04944	1.9
181.06267	1.1
181.10109	0.6
183.11710	0.8
185.03819	2.1
185.13257	0.7
187.05363	6.4
187.11172	0.8
187.14818	0.9
189.09143	1.9
189.11209	0.6
189.12846	0.8
191.07071	0.8
193.06871	3.2
194.10091	1.2
199.07158	0.8
206.49817	0.5
207.10167	1.0
211.07704	0.7
215.04840	2.8
217.07137	0.5
220.07999	0.6
222.09482	4.1
222.14842	0.7
223.07909	0.7
224.11014	1.0
225.11230	1.5
225.16356	1.1
231.04343	3.7
231.17520	1.0
233.05908	29.0
236.10837	0.6
240.10542	9.9
241.11333	3.5
241.15929	0.6
242.12042	2.4
243.17442	4.2
245.05896	2.5
245.19130	1.2
246.19453	0.8
254.12112	0.6
261.18512	9.1
262.18567	0.7
271.16870	3.5
273.18533	0.9
274.18881	0.6
279.13516	0.9
289.17987	21.8
290.08072	1.0
291.06473	1.3
291.19522	0.9
297.12616	0.8
303.14133	0.9
307.19070	12.9
308.09100	20.3
321.15189	5.9
339.16263	0.8
343.13339	3.4
344.13870	1.1
346.18457	4.3
357.14743	1.5
364.19431	27.0
374.18088	0.9
387.14450	0.6
388.15033	0.8
392.18842	1.9
398.31314	2.1
403.20325	1.3
415.32162	1.5
416.32471	5.0
421.21649	1.4
433.33167	4.7
434.33499	9.7
449.21094	19.3
452.34567	0.9
467.22134	100.0
468.22549	1.9
485.23074	1.4
521.22925	1.2
539.24225	11.4
596.26245	2.4
614.27606	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	614.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.91471	0.5
55.01869	2.8
55.05513	7.6
56.05017	1.4
57.03440	1.1
58.99322	0.9
58.99588	11.8
65.03934	1.1
67.05168	0.7
67.05508	10.0
68.05035	0.6
69.03406	2.4
69.07069	8.3
70.05049	0.9
70.05445	1.7
71.04976	1.3
76.02232	51.9
76.04002	2.8
77.31205	0.6
79.05495	20.1
80.04996	1.1
81.03432	3.0
81.07061	44.5
82.07383	1.6
83.05010	3.1
83.06097	4.6
83.08625	3.5
84.04039	0.9
84.04509	11.2
85.01131	0.9
85.02890	2.6
85.06554	1.8
86.99058	2.3
88.02187	0.9
91.05488	9.4
93.07061	9.8
94.07408	0.6
95.04993	4.7
95.08607	9.5
96.08952	0.7
96.90701	0.6
97.01099	0.6
97.02905	2.6
97.06521	2.0
97.10177	3.1
98.00633	0.6
98.20820	0.8
99.05559	1.6
99.08092	1.0
100.02201	1.0
105.07030	9.2
107.04970	8.1
107.06070	0.9
107.08594	8.7
108.04513	0.7
108.08916	0.7
109.02882	7.3
109.06529	20.8
109.10165	5.6
111.02680	1.1
111.04414	1.4
111.08064	2.1
112.02210	4.9
113.00620	1.8
114.03758	2.9
115.05444	1.1
116.01689	16.6
117.07026	5.8
119.04919	1.0
119.08595	8.7
121.02792	0.6
121.06497	2.9
121.10167	4.3
122.10470	0.6
123.04429	1.3
123.08073	7.1
123.11727	1.6
124.02195	2.9
124.08369	0.8
125.09632	2.8
126.03754	1.3
127.02216	0.6
127.03876	0.7
128.06253	1.0
129.06706	2.8
130.05028	4.6
131.05000	0.7
131.08575	4.3
133.06508	0.6
133.10139	7.1
135.02673	0.8
135.04437	0.7
135.08058	8.1
135.11673	1.9
136.08458	0.5
137.04259	0.8
137.05994	3.9
137.06892	0.6
137.09593	1.9
137.13266	0.6
138.03728	1.3
138.06375	1.1
139.03218	0.6
140.01697	0.8
140.05307	0.9
141.04842	2.8
142.03221	7.7
143.08566	4.2
144.01151	8.0
145.02708	0.6
145.06496	3.8
145.10127	3.9
146.02708	0.6
146.59904	0.6
147.08084	2.9
147.11671	3.0
149.04271	0.7
149.09605	2.5
151.03903	0.7
151.05727	1.8
151.07552	1.4
151.11240	0.9
152.05302	0.5
153.03665	0.7
153.06584	1.8
153.09122	1.3
155.08450	1.3
157.10085	2.8
158.10448	0.9
159.07994	2.8
159.11728	2.7
161.09636	6.9
161.13249	1.3
162.02209	24.7
163.07555	2.1
163.11209	1.7
165.09097	1.6
165.12744	0.7
167.07042	3.4
168.07346	1.6
169.10129	1.6
170.02762	4.0
171.08022	1.4
171.11671	1.9
173.06004	1.0
173.09633	2.1
173.13187	0.6
175.11180	1.3
177.03157	1.2
177.07460	1.3
177.09128	2.3
177.12755	1.2
179.04863	33.5
179.10687	5.0
181.04933	1.3
183.11760	1.4
185.03775	2.2
186.10310	0.8
187.05394	9.5
187.11136	1.2
189.09096	2.0
189.11212	0.9
189.12785	1.2
191.06975	1.0
191.10591	1.2
193.06915	3.1
194.10019	1.2
197.06285	0.9
199.07191	1.4
199.11308	0.6
201.12737	0.9
204.08478	0.6
207.10075	1.3
211.07993	0.8
215.04868	2.0
216.05609	0.7
220.07779	0.6
222.09465	4.6
223.07874	0.7
224.11104	1.0
225.11363	1.0
225.16292	0.7
231.04350	3.9
233.05917	29.1
233.19037	0.8
236.10971	0.6
240.10539	10.6
241.11293	3.4
242.12177	3.1
243.17542	4.4
245.05910	2.7
245.19127	1.0
246.19533	1.0
254.12094	0.9
256.13550	0.7
261.18530	11.4
271.16953	3.1
274.18729	0.7
279.19656	0.8
289.17972	22.9
290.07980	1.2
291.06549	1.3
291.19574	1.0
303.14221	0.8
307.19052	13.7
308.09094	23.2
311.14365	1.1
321.15195	6.2
328.17490	0.8
343.13278	4.3
344.14084	1.5
346.18292	4.4
357.14767	1.8
364.19421	26.4
365.20029	0.7
374.17899	0.8
382.20786	0.6
387.14627	0.9
388.14380	0.7
392.18948	1.7
398.31403	2.1
403.20877	0.8
415.32135	1.7
416.32471	4.6
431.20438	0.9
433.33197	3.4
434.33496	8.5
449.21078	17.6
452.34698	1.2
467.22147	100.0
468.22580	2.8
485.23328	1.0
521.23224	1.5
539.24194	9.5
544.77264	0.6
553.18744	0.6
596.26270	1.7
614.27570	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05509	6.1
57.03429	2.4
57.07066	2.4
64.44077	1.7
67.05511	18.7
69.07072	6.7
69.94100	6.2
69.94512	3.7
75.10680	1.7
77.19321	1.8
79.05489	8.9
81.07075	20.2
83.08645	3.4
83.78088	1.7
86.03398	2.0
90.94164	1.7
91.02338	1.7
91.05488	8.5
93.07034	11.5
94.62733	1.6
95.08611	18.5
97.10217	2.4
105.07053	10.0
107.08592	8.4
109.10174	8.9
117.07023	3.4
119.07825	2.0
119.08540	9.2
121.10164	7.5
123.11734	4.0
129.07066	2.2
131.08586	6.9
133.10106	8.7
135.11722	6.4
137.13199	2.8
143.08554	2.3
145.10144	6.2
147.11725	6.8
149.13243	4.1
157.10187	2.9
158.55121	2.0
159.11710	3.9
161.13307	4.3
163.14835	4.5
171.11768	2.0
173.13232	4.5
175.14879	2.3
177.60461	1.6
179.41348	2.0
183.11681	2.9
185.13203	3.3
187.14813	3.9
215.77274	1.9
225.16309	1.8
243.21211	2.3
251.74579	1.8
259.20621	4.4
261.22229	6.2
267.60754	2.1
317.24844	1.9
333.24298	6.8
335.25772	15.1
337.27417	6.4
521.43854	3.3
539.44348	3.2
550.92590	2.2
595.47070	9.7
613.48260	100.0
614.48798	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	613.4833
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03940	2.3
53.16349	1.3
53.58289	1.1
55.05513	13.7
57.03432	4.2
57.07077	2.0
61.17535	1.0
67.05510	41.2
67.39129	1.1
67.49951	1.1
68.28712	1.2
69.07076	16.8
71.05006	2.0
71.07524	1.3
71.07843	2.5
71.08613	1.1
79.05505	18.3
81.07063	44.8
83.08627	8.5
85.06557	2.5
91.05486	19.8
93.07056	30.3
95.04967	1.9
95.08614	38.7
97.06549	2.8
97.10191	4.8
104.59438	1.1
105.07034	20.1
107.08598	19.0
109.10162	22.4
111.11736	1.8
117.07023	10.0
119.08586	19.0
121.10159	17.5
123.11726	10.5
129.07010	4.1
131.08574	14.0
133.10136	19.3
135.11697	13.0
137.13321	2.4
142.07780	1.4
143.08607	4.9
145.10146	14.9
147.11674	13.8
149.13283	10.0
151.14815	1.5
155.08640	2.0
157.10153	6.3
159.11671	11.8
161.13266	9.1
163.14832	3.1
169.10089	2.0
170.28612	1.3
171.11752	6.6
173.13287	10.5
175.14833	6.3
177.16359	2.3
179.14168	1.4
183.11710	2.1
185.13300	4.8
187.14847	6.8
189.16409	2.4
197.13194	2.2
199.14879	4.3
201.16423	4.7
209.13332	1.2
213.16454	2.3
215.17984	1.6
217.19434	1.7
229.19572	1.4
241.19568	3.3
243.21161	1.8
245.22534	1.2
257.22766	1.2
259.20618	7.7
261.22253	7.7
263.23868	1.2
273.22318	1.2
275.20313	1.7
285.22229	1.2
299.36737	1.2
313.25391	2.1
333.24347	5.4
335.25845	12.6
337.27383	7.4
489.35712	1.4
498.15244	1.3
503.37253	2.7
521.43506	6.9
529.38818	2.4
531.40863	1.2
539.44452	3.0
543.40790	1.5
581.38837	1.2
595.47412	10.9
613.48297	100.0
614.48956	2.2
622.72327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01854	1.6
55.05512	13.7
57.03445	6.1
57.07070	3.1
65.03926	1.8
67.05507	33.5
68.58359	1.3
69.07071	11.5
71.46186	1.4
71.46533	1.5
77.03961	1.3
79.05493	25.0
81.06579	2.0
81.07060	39.3
83.08621	7.7
85.06551	2.1
91.05482	23.3
91.06013	2.0
92.86296	1.0
93.07053	28.3
94.30907	1.1
95.04967	3.4
95.08605	29.1
97.06541	2.1
97.10143	1.8
99.08088	1.3
105.07034	24.2
107.08601	18.8
109.06500	1.5
109.10169	12.3
111.08105	1.8
115.05342	1.0
117.07005	9.5
119.08589	22.0
121.10138	16.2
123.11720	3.8
125.09647	1.4
129.06978	5.8
131.08569	16.6
133.10120	17.7
135.11694	10.2
137.13277	1.6
141.06979	1.5
142.07831	1.5
143.08557	10.3
145.10132	19.0
147.11708	14.0
149.13306	5.4
155.08557	3.5
157.10132	11.6
159.11687	14.6
161.13263	11.5
163.11157	1.2
163.14859	3.3
164.84810	1.1
169.10120	6.5
171.11690	9.3
173.13249	10.3
175.14830	4.0
181.10159	1.9
183.11760	5.7
185.13269	9.3
187.14850	5.5
189.16458	1.4
191.14426	1.5
195.11655	1.6
197.13298	3.9
198.13901	1.3
199.14804	6.6
201.16502	1.7
209.13315	2.1
211.14926	2.3
213.16502	5.5
215.17999	3.0
223.14919	1.6
225.16420	1.3
227.18082	1.8
231.21114	2.3
237.16330	1.2
238.58896	1.3
239.17982	1.3
241.19547	7.4
243.21062	1.9
257.19055	3.3
259.20590	17.2
261.22192	2.6
275.20108	1.3
333.24188	9.4
335.25833	15.9
341.24844	1.7
352.95712	1.1
353.28506	1.5
367.30170	1.3
379.30423	1.2
381.32104	1.4
519.42249	6.1
527.27423	1.1
537.43073	5.1
541.39539	1.2
587.44745	1.4
593.45721	8.5
611.46722	100.0
612.47180	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28002	0.2
53.03944	0.5
53.68713	0.3
55.01881	0.3
55.05507	0.5
57.03434	0.3
65.03934	1.0
67.05515	1.3
69.03421	1.0
69.07061	0.7
69.67213	0.7
69.67622	1.6
70.06586	0.8
72.08125	0.3
75.60869	0.2
78.04674	0.4
79.05491	0.9
81.03417	2.1
81.07047	1.3
83.08558	0.2
85.02911	1.2
91.05481	0.6
93.07026	0.9
95.01340	0.3
95.04994	1.2
95.08603	0.5
95.43737	0.2
97.02894	1.1
97.06491	0.3
103.05524	0.3
105.07030	0.5
107.04933	0.6
107.08589	0.8
109.02901	0.8
109.10155	1.0
111.04462	0.2
115.05470	0.4
116.99963	0.3
117.07042	0.5
119.04887	0.3
119.08594	0.7
121.02871	21.1
121.06554	0.3
121.10171	0.4
123.04400	0.4
123.08054	0.4
124.05219	0.3
127.03910	0.7
131.04982	0.3
133.10127	0.4
135.08051	0.5
135.11687	0.4
137.02351	0.4
137.06000	1.0
139.03900	2.2
141.05423	0.3
145.06465	0.6
145.10138	0.4
147.04390	0.8
149.13307	0.3
151.03941	2.1
153.01828	1.0
161.06015	0.5
163.03836	0.3
163.07588	0.4
164.04678	0.4
167.07056	4.8
171.02921	0.6
173.06001	0.9
173.11794	0.3
181.04900	1.8
181.11432	0.3
191.07007	0.7
204.07994	0.3
205.08627	0.4
217.04962	0.6
228.04279	0.5
229.04866	0.4
231.03055	0.3
233.08015	0.4
243.06584	0.6
245.04384	2.6
257.04410	0.7
265.07126	3.0
269.04410	0.5
271.06030	0.9
272.06924	0.3
273.03983	4.0
283.08115	0.8
285.03925	0.5
287.05591	1.2
288.06299	1.6
299.05515	0.5
301.03476	8.3
301.06808	0.5
302.03983	0.7
315.04977	9.9
316.05783	36.4
317.06165	0.5
331.08127	100.0
332.08517	1.3
381.96484	0.3
385.12921	0.5
387.14389	0.3
397.31021	0.5
415.32184	0.8
417.15594	0.5
433.32892	0.3
451.34460	0.3
489.93265	0.3
613.23132	2.3
613.31812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
57.03431	1.5
57.29976	1.1
67.47356	1.3
69.03453	2.7
70.06605	2.9
70.22778	5.6
71.05000	3.2
74.48261	1.1
79.05481	1.7
81.03413	7.1
81.07028	2.6
84.04504	1.8
85.02901	5.2
89.07160	4.7
91.05474	3.0
93.07034	2.1
95.04941	1.7
95.08583	1.7
97.02918	2.1
97.58069	1.2
107.04977	4.1
107.08626	1.3
109.02874	9.8
119.04974	2.0
121.02816	1.3
121.06532	1.7
123.04454	4.5
127.03939	11.6
132.04468	3.5
135.04425	1.4
137.05998	4.7
139.03931	3.6
145.02843	1.4
147.04427	4.4
148.05101	1.9
149.05989	1.9
151.03824	1.6
151.07480	2.1
153.01883	1.8
153.05466	1.7
159.04126	6.2
161.06020	2.7
163.03925	1.8
166.05064	1.8
167.07047	100.0
168.07349	1.4
175.03877	1.5
175.07597	1.5
175.11731	1.3
176.04660	2.0
177.05417	10.2
177.09102	3.0
179.07056	3.4
181.04939	1.8
181.08643	1.8
183.06577	4.4
189.05266	2.1
193.08540	2.0
199.18265	1.3
205.08603	2.4
207.06544	5.0
209.08098	35.2
215.07138	1.5
219.10144	1.8
227.09312	1.6
239.09248	1.9
241.05066	1.8
247.09680	1.3
251.09109	1.7
257.04459	1.3
283.11761	1.4
287.05542	7.3
303.04962	2.1
303.13483	9.8
317.06628	8.4
317.10129	3.1
341.13678	2.2
353.12369	5.6
361.02435	3.1
371.13492	2.6
391.14029	7.6
391.18243	1.3
393.14185	1.3
409.14999	14.5
414.28452	1.4
427.16214	7.7
445.16916	3.2
448.69955	1.2
465.18802	2.3
611.24664	36.9
612.24915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03436	1.3
61.02937	0.3
61.70962	0.2
62.24677	0.2
68.99808	0.3
69.03425	1.0
70.35799	0.4
70.36194	0.5
71.04999	10.4
73.02917	0.4
75.04465	0.5
80.19525	0.2
81.03417	0.8
82.03065	0.2
83.04987	0.4
85.02910	15.2
87.04491	0.2
97.02904	0.9
109.02898	0.4
111.00809	0.8
111.04411	0.2
121.02851	0.8
127.03906	0.9
129.05492	3.1
137.02350	1.5
137.94754	0.2
139.69388	0.2
145.04951	0.7
147.06508	1.3
149.02359	0.6
153.01837	2.4
155.97478	0.2
162.52022	0.2
163.03937	0.5
165.01849	1.5
173.05978	0.4
183.02962	0.4
183.04454	0.3
195.02834	0.3
201.05487	1.0
219.06474	0.4
229.04982	2.7
247.06015	0.4
257.04474	2.2
259.51108	0.2
264.73026	0.2
274.04730	0.7
275.05469	0.3
285.03995	1.1
287.05524	0.8
290.14966	0.2
292.06589	0.2
303.05011	100.0
304.05328	1.6
335.73596	0.2
465.10297	0.9
636.71783	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	611.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65902	0.3
55.05511	0.5
56.96574	0.3
57.03432	0.5
57.07063	0.4
67.05507	0.4
69.03435	1.0
70.06590	0.6
71.24878	0.4
71.25201	0.3
79.05489	0.4
81.03410	0.4
81.07067	0.9
85.02921	0.8
91.05471	0.4
95.08622	0.6
97.02892	0.6
100.21102	0.3
107.08603	0.4
117.03368	0.6
127.03949	0.6
137.06073	0.4
139.03973	0.3
145.02885	1.3
147.04489	0.3
149.02321	2.8
149.06009	0.3
153.01866	0.3
167.07072	1.0
171.00606	0.5
175.07513	0.6
177.05444	2.9
181.04944	0.6
199.07402	0.4
243.06386	0.3
245.07921	1.5
261.07385	1.9
275.08011	0.5
275.10873	1.6
299.12616	2.4
301.07220	0.4
317.08551	0.7
317.13715	1.3
321.09695	0.3
333.08264	0.4
335.09485	4.9
358.22794	0.3
389.14148	3.1
407.15332	4.6
421.45514	0.3
423.12561	1.7
457.29147	0.3
462.21234	0.3
479.18835	1.2
482.83237	0.4
555.16858	0.9
611.23108	100.0
612.23578	3.9
636.52325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32269	1.1
53.03939	1.2
55.01864	1.8
55.67988	0.9
60.51287	0.9
63.48764	1.0
66.29333	1.0
68.99800	5.5
69.03402	1.4
69.71575	2.8
69.71999	5.4
81.03427	2.5
85.02906	2.9
95.04967	6.7
97.02879	1.5
98.97575	1.1
99.04484	1.6
103.48611	1.1
109.02882	3.3
111.00784	5.7
111.04435	2.2
117.77397	1.0
121.02855	2.4
123.04432	39.9
124.04783	1.8
126.91833	1.1
127.03921	98.2
128.04283	1.3
132.04451	14.1
133.02827	2.9
135.04384	2.4
139.03908	100.0
140.04227	1.4
147.04411	5.5
148.03796	1.4
151.03900	26.6
155.03391	1.2
159.04539	1.1
161.05972	1.2
163.03937	8.7
165.05470	1.6
167.03398	4.0
169.04927	1.7
171.04500	1.0
175.03906	14.0
177.05482	5.1
179.03398	35.8
181.04950	4.7
189.05467	3.1
191.03452	7.4
193.04968	3.2
197.02988	1.1
199.03938	3.0
201.05487	3.7
203.03403	19.7
205.04955	2.0
213.05443	4.0
215.03474	1.3
217.05019	3.7
221.05006	2.2
229.04974	4.3
231.06509	3.0
233.04362	3.8
237.02876	2.4
241.04953	1.9
245.04500	9.7
251.52620	1.1
257.04483	12.1
258.04919	1.2
259.05963	2.9
263.05508	19.1
269.04373	2.9
269.93707	1.1
271.06277	1.5
275.05508	16.6
287.05493	41.4
287.09100	1.6
287.09888	2.1
289.07159	2.8
289.10629	1.2
299.05463	17.4
305.06540	10.8
305.10779	7.0
306.11060	1.7
307.08118	13.0
317.06577	19.8
339.47839	1.2
347.11859	3.0
356.06989	1.3
407.07211	2.0
425.08710	21.4
443.09775	14.3
451.14987	1.2
575.01941	1.2
614.20251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01868	2.5
55.05504	6.7
56.05022	3.0
57.03438	2.1
57.07066	1.5
58.06593	2.3
60.04532	56.5
64.55181	1.4
67.05509	12.7
68.21532	1.6
69.03426	1.8
69.07062	6.9
70.06598	2.4
71.05009	8.5
71.59840	2.3
72.04528	1.7
74.06090	2.4
79.05499	9.1
80.05035	2.2
81.03424	10.9
81.07069	11.7
83.08625	5.6
85.02899	4.4
85.06565	4.1
86.06032	1.5
88.07638	1.9
91.05421	2.9
91.05879	2.5
92.77829	1.5
93.07072	9.0
94.06580	4.3
95.04988	4.6
95.08608	17.5
97.06539	5.3
97.10170	4.0
99.08091	4.0
105.07030	6.5
107.08604	2.5
109.10157	2.5
110.09663	2.5
111.08089	6.5
119.08628	1.9
121.06485	1.6
122.09687	10.1
123.08097	21.2
127.03919	2.0
128.10735	9.6
140.10715	72.3
141.09111	7.4
158.11768	10.5
176.12791	9.1
181.59097	1.4
187.61937	1.6
266.24802	1.7
272.25882	2.9
355.06992	3.6
394.33261	2.4
412.34232	24.8
430.35321	100.0
431.35568	4.2
448.36380	56.2
468.91357	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.7
53.03947	0.6
53.77632	0.4
55.01881	1.0
65.03959	0.6
67.05509	0.5
68.99792	4.7
69.03429	0.7
70.79041	1.3
81.03419	2.0
85.02907	1.1
95.04972	1.9
97.02919	0.5
98.97585	0.9
99.04446	0.7
100.92484	0.5
102.24821	0.5
105.03382	1.0
105.29547	0.5
107.04964	0.9
109.02878	4.2
111.00806	7.2
111.04437	1.3
116.98668	0.6
119.04955	0.6
121.02877	1.4
123.04433	11.4
127.03921	100.0
128.04283	1.1
129.64722	0.4
132.04469	3.0
132.05362	0.4
133.02847	2.7
133.06476	0.5
134.99646	0.5
135.04417	1.7
137.02344	1.7
137.05971	0.6
139.03905	78.8
140.04262	0.6
143.01852	0.6
145.02823	0.5
147.04425	6.2
149.02318	1.6
149.05984	0.8
151.03905	27.1
153.01761	0.7
155.03354	1.9
155.04578	0.4
157.06416	0.6
159.04416	1.0
159.66679	0.4
161.02908	1.3
161.05977	1.1
163.03908	6.3
165.05479	2.0
167.03421	4.3
169.04926	1.3
169.06339	0.5
171.04414	1.4
173.06079	0.6
175.03920	13.1
177.05475	5.3
179.03401	36.2
181.04956	3.2
183.04288	0.8
185.05972	1.0
187.03905	0.9
189.05495	3.1
191.03391	10.0
193.04933	3.6
195.06551	0.6
197.05991	1.0
199.03937	2.9
201.05441	3.5
203.03400	17.0
205.04922	1.3
213.05467	4.9
215.03438	1.0
215.07076	0.4
217.04991	3.4
219.06534	1.0
221.04512	1.3
227.03366	1.3
229.05003	4.5
231.06651	2.6
233.04422	4.6
237.02835	1.0
241.04970	2.5
245.02138	0.7
245.04472	9.5
247.05951	0.7
251.05438	2.0
253.04948	0.8
257.04474	9.7
259.06018	2.6
263.05505	15.0
264.05725	0.5
269.04416	4.0
271.05902	1.9
275.05505	14.7
277.07019	0.5
287.05502	40.2
288.05783	1.2
289.06870	2.0
299.05496	17.0
300.05295	0.6
301.07083	0.6
305.03210	0.6
305.06564	11.4
307.08133	9.3
311.05563	0.6
317.06586	16.0
319.07959	0.7
407.07297	1.6
425.08722	18.4
443.09763	10.6
467.09076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03954	1.3
54.09626	1.0
55.05513	10.9
57.03431	2.3
57.07071	2.3
66.91779	1.1
67.05507	18.5
69.07068	11.4
69.97093	2.6
69.97523	3.9
71.08625	1.1
74.34874	1.1
79.05495	11.4
81.07057	19.3
83.08624	4.7
91.05470	11.1
91.05909	0.9
93.07051	14.7
95.05007	2.2
95.08608	16.3
95.09160	1.5
97.06540	1.9
97.10179	3.0
105.07030	11.1
107.08585	7.9
109.06555	1.3
109.10130	7.6
111.08102	1.4
117.06998	5.7
119.08565	9.2
121.10136	7.5
123.11754	2.1
123.79249	1.1
128.06342	1.4
129.07013	8.1
131.08574	11.8
133.10126	7.1
135.08058	1.3
135.11734	2.8
141.07024	4.5
142.07794	2.7
143.08559	11.7
144.09280	1.0
145.10115	13.1
147.11688	5.3
149.09653	1.5
149.13348	1.6
153.07036	1.5
154.07764	1.5
155.08557	8.9
156.09317	2.0
157.10149	9.6
159.11716	7.5
161.13318	3.2
167.08603	4.8
168.09335	1.3
169.10133	11.3
171.11665	7.4
173.13278	5.3
175.14796	2.2
177.16241	1.1
179.08632	1.5
181.10139	5.8
183.11708	11.8
185.13231	6.9
187.14885	3.6
189.16470	1.1
193.10164	1.4
195.11699	6.4
197.13303	9.9
199.14888	4.3
203.17804	1.4
207.11742	2.7
209.13231	5.5
210.14127	0.9
211.14890	6.9
213.16504	2.8
221.13315	2.2
223.14905	4.0
225.16396	2.6
227.18150	3.3
235.14876	2.1
237.16508	3.7
239.18022	2.8
249.16531	1.6
251.18077	1.8
253.19563	1.9
257.19107	1.6
264.64169	1.1
265.19586	1.7
267.86377	1.2
275.20306	1.5
279.21191	1.4
309.22318	1.4
311.23648	1.1
323.23749	1.3
337.25269	2.2
349.25140	1.6
351.27008	1.6
363.27203	1.2
365.28787	1.6
377.28720	1.7
379.30380	1.2
495.40765	1.1
499.39624	2.0
507.35022	1.5
517.40479	9.5
528.06476	1.2
535.41516	5.3
553.42914	2.0
573.43164	2.1
591.44073	14.2
609.45203	100.0
610.45532	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	609.1608
Annotation	Hispidulin 7-(6''-E-p-Coumaroylglucoside)
Peak:m/z	Relative Intensity
55.05512	1.2
56.89098	0.3
57.03416	0.4
57.07067	0.4
58.89281	0.3
61.02916	0.4
65.03946	0.7
67.01870	0.3
67.05493	0.8
69.03428	0.4
69.07066	0.4
70.06601	1.2
71.05016	0.3
71.59872	0.3
71.60321	0.4
73.02930	0.3
74.09708	0.3
79.05508	0.4
81.03426	2.3
81.07052	0.8
83.04990	0.5
83.08620	0.9
85.02905	1.1
85.06539	0.3
86.15815	0.3
91.05482	4.2
93.07040	0.6
95.04959	0.7
95.08615	0.4
97.02888	0.7
100.07593	0.5
100.11269	2.7
105.07011	0.5
106.51030	0.2
107.04971	0.3
107.08604	0.3
109.02886	1.0
109.10205	0.6
111.04444	0.8
119.04948	9.4
119.08607	0.4
121.02866	2.9
121.10166	0.4
123.08088	0.3
125.98515	0.2
127.03915	1.0
128.07042	0.3
133.10173	0.4
134.03630	0.3
137.02344	0.5
137.06026	0.3
140.07039	0.3
143.94475	0.3
145.10016	0.3
147.04416	57.3
148.04750	0.7
149.02354	0.5
150.02739	0.4
151.07562	0.5
153.01837	1.0
156.13904	1.3
157.06442	0.3
165.05489	1.5
167.07040	0.9
171.02890	0.7
175.03755	0.3
177.05492	0.8
181.04852	0.3
182.15439	2.1
184.05171	0.4
184.13374	0.7
188.04640	0.8
189.05464	0.3
193.01379	0.3
209.16483	0.6
210.14931	1.5
212.04689	0.6
213.05496	1.2
227.17618	0.3
229.04880	0.7
233.07727	0.3
240.04288	0.3
241.04962	1.2
242.05807	0.5
257.04373	1.1
258.05243	4.7
259.05231	0.3
269.04440	0.4
278.14807	0.4
285.03967	10.1
286.04730	41.0
287.05133	0.9
291.08621	3.2
301.07074	100.0
302.07483	1.9
309.09805	1.8
590.46155	0.5
591.46570	0.4
608.47485	3.8
609.21924	3.5
609.31207	0.6
609.48132	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1817
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.03948	0.2
55.01871	0.3
55.05519	0.4
57.03436	1.2
57.38675	0.1
58.56506	0.2
59.37915	0.2
61.02916	0.5
61.19950	0.2
67.05511	0.2
69.03426	1.2
70.06580	0.4
71.01357	0.2
71.04994	7.5
71.32356	0.2
72.08157	0.2
73.02917	0.4
75.04480	0.3
79.05491	0.3
81.03403	0.6
81.07067	0.4
83.04958	0.4
85.02907	11.4
87.04483	0.2
91.03928	0.2
91.05464	0.5
93.07058	0.3
95.04972	0.3
95.08603	0.3
97.02893	1.0
99.04445	0.4
107.04972	0.7
107.08588	0.2
109.02873	0.3
111.04459	0.4
119.04929	0.2
121.02869	1.2
121.06507	0.2
123.04410	0.3
127.03915	1.2
129.05467	1.8
133.02786	0.3
133.06525	0.2
137.05991	0.4
145.04965	0.7
147.04486	0.3
147.06505	0.6
151.03896	0.5
167.03400	1.6
167.07001	0.3
177.05421	0.2
179.03430	0.8
181.04961	0.2
197.04454	0.3
199.07562	0.2
202.10818	0.2
207.06531	0.2
212.04596	0.2
213.05392	0.2
227.07021	0.7
231.06731	0.2
245.04262	0.2
245.08189	0.3
255.06595	0.3
257.04337	0.3
258.05255	2.4
272.06799	0.5
273.07449	0.2
273.25720	0.2
286.04727	2.7
287.05414	0.3
301.07065	100.0
302.07407	1.3
315.05020	0.2
316.05740	0.6
331.08160	2.5
347.07590	0.2
349.23633	0.2
365.23074	0.3
397.12839	0.4
412.14948	0.7
447.29349	0.3
463.12228	0.9
513.32178	0.2
609.22815	8.6
609.34143	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	607.2914
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
53.93046	0.6
61.77642	0.6
62.46162	0.5
66.76421	0.5
71.30322	1.2
75.01428	0.7
79.92175	0.6
84.93530	0.5
102.70438	0.5
104.89385	0.6
113.59603	0.6
121.25895	0.6
128.82552	0.6
147.39455	0.6
149.06943	0.6
161.74342	0.6
214.03947	0.6
228.45796	0.7
402.18106	0.7
403.19241	2.0
404.19833	0.9
405.20758	1.6
415.19095	0.9
417.16068	1.1
417.21368	4.0
418.21692	2.3
419.22275	3.1
430.22452	0.8
431.18396	8.6
432.19608	1.9
433.24097	7.4
434.24695	1.5
445.19904	9.4
446.20880	5.0
447.21652	5.4
459.21539	5.0
460.22537	9.3
461.23428	11.3
473.23700	3.1
474.24747	0.6
477.22958	0.7
487.24948	1.8
491.25211	0.9
492.25406	1.1
505.22565	2.3
519.27209	1.2
532.24506	0.7
547.27051	30.3
548.27710	1.0
575.26392	0.8
607.29181	100.0
608.29712	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	607.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
55.01870	16.4
55.05264	3.6
55.05516	43.6
57.03448	6.6
57.07070	5.5
65.03933	3.5
67.05511	90.9
67.05875	4.3
69.03435	5.4
69.07072	42.0
71.05000	7.9
71.08641	14.0
71.60023	5.5
79.05495	66.6
81.03430	23.3
81.07064	100.0
83.04977	24.5
83.08624	31.1
85.02900	6.1
85.06553	7.8
91.05490	56.5
91.06011	5.4
93.07053	88.4
95.04978	40.0
95.08613	53.7
97.02924	3.7
97.06548	13.5
97.10184	19.0
99.04479	7.4
99.08085	16.0
105.07038	39.8
107.04957	12.8
107.08609	56.5
108.14233	2.5
109.06558	7.6
109.10165	29.5
111.04445	33.1
111.08096	23.1
113.09668	4.6
115.03961	8.0
117.07031	13.9
118.54613	2.5
119.08591	30.8
121.06506	7.7
121.10159	41.4
123.08037	5.7
123.11757	6.1
125.09666	18.5
127.51302	2.8
129.07039	8.0
131.08592	22.3
133.06488	4.6
133.10165	30.7
135.08073	8.2
135.11703	32.0
136.06201	35.1
137.05959	2.9
137.09647	4.2
137.13307	4.6
137.21721	2.6
139.07617	3.1
139.11160	3.5
143.08545	5.9
145.06502	2.8
145.10132	22.1
147.08049	3.2
147.11671	17.3
149.09651	13.4
149.13283	30.1
151.11179	26.9
153.12767	10.4
155.08618	4.0
157.10138	10.0
159.11726	18.2
161.13283	17.9
163.11192	31.1
163.14880	4.5
165.12796	10.7
171.10265	3.6
171.11713	5.3
173.09601	4.2
173.11862	3.7
173.13342	5.6
177.12726	16.2
179.14288	5.3
181.12209	14.7
183.11749	3.8
187.11232	3.4
189.11232	22.3
191.10666	15.4
193.12474	3.1
195.13843	29.8
205.12268	3.6
209.11768	8.5
213.14900	11.4
223.13191	17.8
227.12799	22.4
257.19327	4.9
259.20605	9.5
273.18610	4.8
275.20111	23.0
277.21655	90.8
291.19592	8.9
293.21140	14.8
295.22720	25.2
315.18146	5.0
319.26178	3.2
348.07141	11.9
349.23676	5.8
389.26947	3.7
401.33902	5.5
445.87665	3.1
457.32870	3.1
471.34995	3.9
489.35764	3.8
575.34857	2.8
589.34991	4.6
607.38818	43.4
608.35645	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	606.473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05291	9.4
58.78958	9.0
61.67106	8.9
67.05512	14.9
69.31697	100.0
79.05501	19.1
81.07062	32.1
90.66593	12.3
91.05484	11.6
93.18204	10.9
108.08871	11.2
121.10146	11.1
146.48212	11.3
275.20181	24.9
293.21109	14.0
330.82169	10.1
606.48535	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	607.2365
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
61.40023	0.2
69.75419	1.1
78.63394	0.2
93.00414	0.2
111.04227	0.4
137.05936	0.3
147.04430	0.3
189.05232	18.1
190.05994	1.9
207.06248	0.4
219.10271	0.7
263.08981	0.3
284.03375	0.2
321.09433	0.3
409.39325	0.2
429.15057	2.3
430.15952	0.6
444.17627	2.6
445.18387	14.1
446.18451	0.3
493.32544	0.2
598.89740	0.2
607.23602	100.0
608.23962	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.20128	1.0
55.05497	2.2
67.05502	2.7
70.09210	3.3
70.09624	3.2
79.05497	2.4
81.07067	2.7
91.05519	1.9
93.07068	1.5
95.04986	1.7
95.08604	1.5
98.11091	1.1
105.07033	1.7
109.00290	1.2
121.10152	1.3
147.04349	1.2
271.06729	1.1
389.17618	2.3
403.19247	2.6
404.19717	1.6
405.20709	3.0
417.16650	2.2
419.22720	5.6
431.18802	5.3
432.19632	2.9
433.20273	2.5
445.20410	3.8
446.20993	6.0
447.21774	7.7
460.19135	1.5
464.21313	1.5
473.19662	2.1
474.20636	3.9
475.21301	4.6
491.20807	3.6
509.36160	1.3
519.24207	15.0
547.23236	12.1
548.23230	1.5
579.26251	4.1
607.25531	100.0
608.26196	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	607.2916
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
70.79392	1.8
93.07047	0.9
131.69667	0.9
253.55046	0.9
369.94461	0.9
403.18799	1.5
417.21103	1.2
418.21695	1.5
419.22226	1.4
431.18256	4.7
433.23950	4.1
445.19928	5.3
446.20859	1.8
447.21936	1.8
459.21759	2.7
460.22452	7.3
461.23355	6.3
485.37875	0.9
547.27075	25.4
607.29163	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44984	0.2
53.03939	0.3
54.42590	0.2
55.05508	1.3
57.03424	0.9
57.07077	20.4
61.02916	0.2
65.03940	0.7
67.05500	0.4
69.03436	3.3
69.07046	0.3
70.06573	0.3
73.02930	0.3
73.06549	1.1
79.05479	0.4
81.03410	0.5
81.07046	0.5
83.04981	0.3
83.08588	0.3
85.02905	2.8
87.04466	2.2
91.05479	0.3
91.07599	0.4
91.68008	0.3
95.04974	0.5
95.08627	0.2
97.02906	2.4
98.20782	0.5
107.05005	0.2
107.08591	0.2
109.02866	0.2
109.06556	0.3
115.03923	2.5
121.02876	1.4
121.03780	0.2
121.10152	0.2
123.04424	0.3
125.09637	0.2
131.04974	0.2
133.04967	1.8
137.02399	0.2
137.05925	0.3
145.04948	0.4
145.10188	0.3
147.04306	0.3
149.02344	100.0
150.02660	1.0
167.03412	1.8
167.07085	0.3
177.05496	0.3
190.05014	0.9
190.29271	0.2
205.08603	18.1
206.08965	0.3
221.08072	3.5
277.14352	22.4
278.14816	0.2
295.15433	7.2
391.17465	0.2
470.89813	0.3
606.20544	0.3
606.30737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
55.05513	2.1
57.03427	0.7
57.07075	5.3
60.00978	0.2
60.85769	0.2
61.02910	0.5
65.03947	0.6
66.19631	0.1
67.05515	0.2
67.46077	0.2
69.03131	0.2
69.03436	1.9
69.36783	0.3
69.37190	1.2
71.01334	0.2
73.02915	1.8
73.06557	0.4
79.05495	0.3
81.03400	0.2
81.07041	0.5
85.02908	2.8
87.04462	0.6
91.05463	0.2
93.07018	0.2
93.96265	0.2
95.04945	0.2
95.08601	0.2
97.02885	2.1
107.08598	0.2
109.02879	0.3
109.10130	0.2
111.04451	0.2
115.03967	0.9
121.02872	1.7
121.03791	0.2
121.10123	0.2
127.03916	0.5
131.04950	0.2
133.04971	0.9
133.10097	0.2
137.05952	0.3
145.04935	0.5
147.04349	0.2
149.02344	100.0
150.02711	0.9
167.03409	1.5
174.01918	0.2
175.07558	0.4
177.05553	0.3
181.05255	0.2
190.05052	1.0
203.07091	0.6
205.08604	20.4
206.08960	0.2
221.08121	1.1
221.34576	0.2
223.09583	0.3
277.14352	15.3
295.15430	2.6
315.08591	0.2
412.61276	0.2
421.89676	0.2
606.31165	0.8
607.21063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01876	19.2
55.05518	36.8
57.03434	9.6
57.07081	54.5
62.86370	2.7
67.05510	87.3
69.03436	4.2
69.07076	32.5
69.39816	14.5
69.40251	13.2
71.04990	5.4
71.08279	3.6
71.08640	36.5
77.47861	2.8
79.05497	57.8
81.03429	6.9
81.07065	91.3
83.04979	7.2
83.08629	32.9
85.06544	3.4
85.10186	31.8
86.10515	3.2
91.05487	45.7
93.07053	43.6
95.04977	19.4
95.08612	61.4
97.06544	15.2
97.10172	23.5
99.08138	4.2
105.07037	47.7
107.04961	22.8
107.08598	45.1
109.06538	15.7
109.10155	28.5
111.08128	5.3
113.09615	8.2
117.07014	12.2
119.08590	42.3
121.06511	5.0
121.10155	20.8
123.08060	3.8
123.11716	12.1
125.09634	11.9
129.06996	4.3
131.08582	25.1
133.10146	27.5
135.08047	12.0
135.11719	13.3
137.09619	5.9
141.06900	3.8
142.30544	3.0
143.08546	5.8
145.10133	30.1
147.11693	21.8
149.09631	24.5
149.13297	5.3
151.11218	6.5
153.09109	4.8
155.92029	3.3
159.11697	17.8
161.09595	3.9
161.13304	5.7
163.11217	19.2
165.12759	15.2
166.13057	4.0
171.11685	6.4
173.13261	6.8
175.26846	3.0
177.12744	3.7
183.11671	3.5
185.13245	5.0
189.11227	12.5
189.12753	4.3
227.12787	15.8
239.18117	3.7
239.23766	6.8
257.19125	15.8
275.20099	100.0
277.21646	12.3
278.22003	7.1
292.19775	6.2
293.21075	31.4
295.22687	8.6
296.23093	7.5
297.23343	5.4
313.27380	68.4
331.22571	5.8
349.23767	47.7
507.39951	3.7
587.46851	57.6
588.46808	4.5
600.39496	3.8
605.47931	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01865	5.2
55.05514	21.9
57.03440	1.7
57.07074	5.9
57.24425	1.5
64.64284	1.3
65.03925	1.5
67.05162	3.0
67.05504	30.8
69.07066	11.2
71.05001	3.2
71.08633	16.7
73.38993	1.5
79.05070	2.1
79.05500	30.8
81.03418	6.1
81.07059	37.6
83.04982	7.3
83.08618	15.8
83.75705	1.6
85.10172	2.8
91.05483	21.0
93.07047	38.2
93.07623	2.7
95.04976	42.9
95.08608	22.1
97.06535	7.7
97.10178	14.0
99.08106	10.8
102.34989	1.5
105.07026	16.4
106.87186	1.5
107.04942	8.6
107.08601	27.1
109.06506	6.1
109.10171	8.2
111.04443	2.9
111.08096	4.8
111.73225	1.4
113.09644	5.5
117.07016	4.6
119.08584	11.2
121.06546	2.9
121.10143	24.6
123.08028	2.8
125.09641	10.2
129.07001	3.0
131.08588	8.1
133.06412	2.1
133.10126	11.6
135.08047	3.9
135.11714	19.3
137.09604	1.8
141.09117	3.9
145.10141	7.5
147.08037	2.7
147.11655	5.8
149.09636	8.1
149.13287	5.3
151.11174	7.9
153.09148	9.4
157.10088	1.8
159.11699	5.0
161.09734	1.6
161.13297	6.3
163.11182	17.2
165.12799	5.5
167.10669	2.5
168.13820	1.4
171.11740	2.7
173.13231	3.1
175.11230	2.4
177.12794	3.3
179.14317	64.7
179.29688	1.6
180.14653	1.8
181.12109	2.1
187.11249	1.8
189.11267	8.0
189.12721	2.1
193.12131	2.1
205.12268	3.1
223.13306	15.6
227.12840	1.9
235.16998	3.6
247.20660	3.0
251.02847	1.5
257.19034	3.9
259.20575	3.6
275.20044	20.9
277.21622	58.1
293.21127	100.0
295.22647	9.6
313.27295	2.1
314.45728	1.4
321.42865	1.7
349.23779	1.9
587.46631	3.6
605.40186	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	605.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.1
55.01871	14.7
55.05512	33.0
57.07083	47.6
60.58477	7.1
60.60715	7.7
67.05504	68.8
68.98122	7.7
69.07071	30.6
69.54923	6.2
69.55225	57.0
70.81061	6.7
71.08637	20.6
79.05488	32.5
81.03415	14.8
81.07056	67.7
83.04983	9.8
83.08624	20.0
85.10183	41.2
91.05474	35.2
93.07024	37.9
95.04993	41.8
95.08617	47.1
97.06505	22.8
97.10175	15.2
105.07039	31.4
107.04943	19.5
107.08595	32.0
109.06535	9.9
109.10177	22.2
111.08117	8.9
113.09669	36.8
117.07001	10.4
119.08573	21.1
121.06528	8.0
121.10179	21.9
123.08089	12.1
131.08543	14.0
133.10143	22.9
135.11676	9.3
145.10124	25.4
147.04436	17.0
147.11722	17.8
149.09578	36.9
163.11226	32.4
165.12747	42.9
193.12267	14.1
223.13301	25.4
223.96724	8.5
257.19028	8.5
259.20602	10.9
275.20065	74.1
277.21674	63.3
293.21069	46.4
295.22714	100.0
313.27386	34.6
349.23737	29.3
587.46515	24.4
605.38855	40.1
605.47626	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	604.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
57.03441	5.5
59.05005	100.0
61.02936	0.6
67.05509	0.9
69.03435	1.9
69.76422	0.4
70.06594	1.0
71.04987	0.6
71.26858	0.7
71.27192	0.6
73.02907	0.6
79.05508	0.5
81.03442	1.2
81.07070	1.3
83.04996	1.5
85.02908	4.2
86.09739	0.5
87.04501	0.6
91.05476	0.7
92.67829	0.4
93.07085	0.6
95.04984	0.8
95.08647	0.5
97.02913	1.5
97.06532	0.5
99.04461	0.7
99.08110	1.4
100.07649	0.5
101.09691	1.0
102.05565	0.9
105.07030	1.0
107.04948	0.5
107.08613	0.5
109.02918	1.2
111.04456	0.6
112.51134	0.4
115.07581	3.1
117.09139	41.8
119.05005	0.7
127.03947	1.2
128.03426	0.5
131.04976	1.0
131.08545	0.6
133.10120	0.6
135.04512	0.4
135.10178	1.1
137.06010	1.5
145.02914	0.8
145.05116	0.5
145.06435	0.4
147.04440	0.7
153.05515	1.1
158.11832	0.9
161.06082	1.0
163.03966	0.5
163.07622	0.7
167.07109	1.6
168.07469	0.5
175.13315	22.3
176.13805	0.5
177.05418	2.1
184.07372	0.5
193.08728	0.6
193.14435	1.0
194.04575	0.6
207.06537	0.6
216.93130	0.4
230.10222	2.1
233.17479	10.2
249.11475	0.5
251.18594	4.7
256.08252	0.7
287.05658	1.9
291.21863	1.8
301.07233	0.5
309.22928	1.3
367.27072	1.7
381.09583	0.4
425.31143	17.2
426.31625	0.9
545.31140	0.5
604.44159	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	604.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40067	9.3
55.05499	22.3
57.07067	10.7
63.27137	9.4
67.05508	24.6
69.07082	12.1
69.25098	100.0
69.25516	28.4
77.02411	10.0
79.05471	13.4
81.07062	31.2
90.33217	10.2
91.05425	11.6
93.07027	14.0
98.21570	19.6
119.08604	11.7
121.10132	14.5
180.08235	12.5
193.12141	11.5
219.97522	10.4
273.18515	14.7
291.19537	65.5
292.19843	21.3
400.55637	10.5
485.16269	11.2
604.46283	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.9
55.01870	5.4
55.05517	27.9
57.07066	5.0
67.05505	31.9
69.07090	15.9
71.04769	6.3
71.08630	3.5
79.05503	23.9
81.03438	5.6
81.07057	30.5
83.04984	8.0
83.08624	33.4
88.92180	3.1
91.05493	32.0
93.07042	34.8
95.04974	24.7
95.08620	28.2
97.06558	5.1
97.10190	6.3
105.07022	36.1
107.04958	8.1
107.08606	21.7
109.06487	4.7
109.10168	10.2
111.08099	4.2
117.07042	14.2
119.08601	37.7
121.06490	6.1
121.10169	17.3
123.11794	4.1
125.09627	3.7
129.07045	6.7
131.08582	18.7
133.10139	40.6
135.07925	3.9
135.11674	10.6
143.08626	6.9
145.10115	25.0
147.11711	16.3
149.09599	30.7
151.11278	3.9
157.10078	6.0
159.11635	15.3
161.09659	3.8
161.13213	7.9
163.11153	27.4
165.12746	5.7
169.10115	8.0
171.11723	9.1
173.13269	9.4
175.11227	4.8
197.13300	4.3
223.13333	15.9
229.19492	4.0
239.17998	12.3
257.19006	14.2
259.20520	5.1
275.20081	100.0
277.21643	12.9
293.21136	34.7
301.21558	4.1
323.92706	3.6
332.36267	3.2
438.42416	3.8
441.33463	4.6
506.39188	4.2
551.41693	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	604.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13197	0.6
53.03936	2.4
55.05513	77.2
56.05863	0.8
57.03447	4.5
57.07079	1.2
58.39849	0.7
59.04981	1.3
61.15770	0.6
64.58073	0.6
65.63845	0.7
67.05504	1.5
67.21012	0.6
69.03078	0.9
69.03432	13.5
69.44321	3.8
69.44733	2.1
70.04081	38.1
70.06597	0.9
71.01353	1.1
71.05000	6.8
73.02913	2.6
73.06557	2.4
75.04469	0.7
78.55764	0.6
79.05482	1.0
81.03407	1.9
81.07063	1.4
83.04971	1.6
83.08601	0.9
85.02425	1.1
85.02911	17.6
87.04066	0.7
87.04483	7.6
91.05462	2.3
93.07040	1.3
93.27517	0.6
95.04975	0.8
95.08575	0.9
97.02899	11.2
98.21466	1.5
98.97518	0.7
99.04460	0.8
99.08091	3.9
100.11263	2.6
100.32469	0.6
103.03276	0.6
103.03965	0.7
103.13818	0.6
107.04895	0.6
107.08608	0.6
109.02869	2.0
109.10167	1.1
111.04425	1.7
115.03938	11.0
117.09129	1.2
121.02869	1.3
121.06477	0.7
122.88998	0.7
123.04459	0.8
127.03928	2.8
129.05493	2.7
129.06993	1.4
131.08572	1.2
133.04976	10.1
145.04964	1.0
147.06540	1.0
147.08130	0.9
149.02350	45.5
150.07664	1.0
153.09119	0.6
158.12585	0.7
161.05968	2.9
167.03403	1.6
167.06961	1.0
175.07564	13.1
177.05415	1.1
182.15376	0.9
183.10172	0.9
195.10173	1.0
203.07040	71.7
204.07379	1.1
210.14926	1.2
216.09889	3.1
221.08104	4.8
227.08345	2.0
227.12822	2.0
275.12790	100.0
276.13190	1.3
293.13837	12.3
301.07330	0.8
363.59973	0.7
458.16934	2.4
604.20819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.6
53.03940	4.7
55.01878	9.6
55.05510	24.6
57.03440	4.1
57.07074	18.0
65.03928	2.1
67.05506	38.3
69.03436	3.5
69.07072	21.4
69.76034	7.4
71.04979	4.1
71.08628	3.0
79.05056	2.6
79.05493	36.3
79.05952	2.0
79.85786	1.5
81.03426	13.5
81.07059	86.8
83.04977	15.3
83.08620	17.1
85.02884	2.4
85.06536	2.4
85.10188	46.5
91.05487	33.4
93.07046	32.9
95.04966	25.5
95.08607	29.5
97.06551	9.2
97.10164	16.7
99.08113	4.5
105.07034	28.6
107.04965	22.2
107.08600	24.8
109.05924	1.2
109.06532	11.3
109.10143	12.3
111.04459	12.1
111.08088	10.0
113.09648	61.0
117.07014	9.2
119.08584	27.1
121.06519	8.8
121.10150	17.0
123.04466	2.4
123.08075	18.9
123.11717	4.3
125.09635	10.8
127.07514	1.6
128.06215	2.0
129.06996	8.8
131.08562	19.1
133.06462	3.4
133.10141	10.2
135.08060	4.9
135.11670	9.6
137.09587	4.2
143.08531	5.5
145.06474	1.7
145.10112	14.7
147.08035	9.6
147.11673	16.8
149.09633	16.5
149.13281	5.0
151.11195	6.0
153.09140	4.0
153.12743	5.6
155.08539	1.8
157.10162	4.8
159.08005	2.5
159.11679	5.3
161.09569	4.7
161.13306	4.8
163.11180	22.5
163.14876	1.8
165.12758	65.7
171.11641	7.0
173.09636	4.5
173.13292	3.0
175.11195	7.5
175.14781	2.0
177.12747	2.7
179.14301	4.3
181.12193	9.5
185.13164	1.8
189.11258	7.3
189.12718	1.8
191.10606	7.0
193.12312	4.4
193.15868	1.9
207.13631	2.7
209.11688	2.2
221.15475	1.6
223.13335	8.9
227.12752	11.9
227.17900	3.2
241.19531	3.6
245.18909	2.1
255.17320	2.5
259.20593	8.9
273.18506	22.4
275.20190	7.6
277.21631	72.7
291.19553	86.0
293.21060	6.0
295.22693	100.0
309.20590	13.7
437.30624	1.6
442.05231	1.6
455.31738	2.9
475.29941	2.2
505.39032	2.9
521.69922	1.7
549.39301	1.8
567.40204	5.5
585.41766	7.8
603.42261	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	603.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
54.75595	1.8
55.01872	10.9
55.05512	22.5
57.03428	6.8
57.07077	16.8
64.82963	1.9
65.03933	1.8
67.05179	3.3
67.05505	42.4
69.03410	6.7
69.07065	20.3
69.10519	1.7
69.30610	4.2
69.31002	20.5
71.04978	3.4
71.08623	4.1
73.78114	1.7
74.96336	1.7
79.05489	37.1
81.03421	12.5
81.07059	90.6
83.04984	16.4
83.08620	16.1
85.02911	3.2
85.10184	43.6
91.05476	35.5
93.07037	31.2
94.07368	1.9
95.04971	25.9
95.08608	29.4
97.06522	12.4
97.08202	2.3
97.10174	13.1
98.21514	4.1
99.08064	3.2
105.07023	25.5
107.04963	21.9
107.08586	21.3
109.06510	11.8
109.10156	14.7
111.04446	10.1
111.08070	8.6
113.09646	49.2
117.07039	10.8
117.07764	1.6
119.08576	27.6
121.06493	9.7
121.10138	18.0
123.08073	17.5
123.11681	2.1
125.09653	10.0
129.07004	9.0
131.08572	18.5
133.06476	4.3
133.10167	10.3
135.08044	5.6
135.11665	10.0
137.09634	4.2
143.08569	6.3
145.10124	17.9
147.07999	9.8
147.11725	16.4
149.09625	14.6
149.13263	4.2
151.11176	7.1
153.12762	5.6
157.10152	5.5
159.11674	8.4
161.09583	5.6
161.13185	5.9
163.11156	19.5
163.92181	2.2
165.12747	64.9
169.10100	2.1
171.11726	6.9
173.09677	5.0
173.13263	2.6
175.11182	6.8
175.14912	2.5
177.12775	2.2
179.14374	3.0
180.52409	1.9
181.12260	10.0
183.11835	2.4
187.11192	2.5
189.11235	6.7
190.98337	2.0
191.10725	3.5
193.12248	6.6
207.13762	3.5
223.13278	12.9
227.12704	11.4
241.19495	4.2
245.19199	2.9
255.17361	4.3
257.18814	2.9
259.20575	8.9
273.18460	25.5
275.20062	14.2
277.21631	73.9
289.17978	3.0
291.19537	81.8
292.19931	3.0
292.32611	1.9
293.21213	9.7
295.22681	100.0
296.23172	2.7
309.20505	15.3
311.25684	2.8
313.16818	2.0
349.23865	2.9
455.31366	2.9
505.38544	4.3
540.39319	2.3
567.40192	4.8
585.41406	8.3
603.41327	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	604.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03427	0.1
55.01873	0.1
55.05508	0.8
55.30699	0.1
55.89474	0.1
57.03440	1.4
57.07078	0.3
59.04996	0.1
67.05509	0.2
69.03423	0.8
69.07059	0.2
70.04080	100.0
70.72166	0.4
71.01348	0.1
71.04995	11.0
73.02919	0.4
75.04498	0.3
79.05486	0.2
81.03424	0.3
81.07052	0.3
83.04982	1.0
83.08631	0.4
83.64480	0.1
85.02909	12.9
87.04465	0.5
93.07084	0.2
95.08596	0.3
97.02918	0.6
98.97569	0.2
99.04506	0.2
99.08110	1.1
100.11262	0.2
105.07050	0.3
107.08605	0.2
109.02895	0.2
111.04452	1.4
117.09130	0.3
123.04423	0.1
127.03966	0.4
129.05486	5.6
133.05006	0.3
133.10217	0.1
137.06007	0.2
139.04022	0.2
142.03244	0.2
145.04936	0.3
147.06525	2.5
149.02379	0.6
167.07100	0.4
175.44885	0.1
177.05511	0.3
183.10168	0.9
195.10168	3.4
195.11847	0.2
198.08818	0.2
203.07069	0.4
216.09810	5.3
225.11183	1.5
227.08424	0.5
227.12854	0.4
243.12370	0.4
275.12964	0.4
296.11633	0.2
315.08768	0.2
331.08582	0.2
509.66779	0.2
544.21539	0.2
580.79041	0.2
604.21106	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	603.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.2
55.05512	42.3
57.07072	14.5
57.90423	6.6
61.78288	6.4
67.05510	56.9
69.07063	24.0
70.28091	34.7
71.08627	7.1
79.05499	62.0
81.03413	8.6
81.07063	99.2
83.08635	24.4
84.64423	7.1
91.05495	51.4
93.07060	38.6
95.04985	36.9
95.08616	33.9
97.06536	13.6
105.07026	50.2
107.04951	23.1
107.08604	37.2
109.06537	30.7
109.10178	16.6
117.07034	19.6
119.08589	51.8
121.06501	10.0
121.10168	18.4
123.08044	8.4
131.08580	24.1
133.10138	30.1
135.08057	11.2
145.10130	30.4
147.11707	17.9
149.09605	18.2
157.10226	7.6
157.78746	6.6
159.11700	13.9
159.14798	7.9
161.13297	9.8
163.11165	21.3
177.78136	8.6
192.99031	8.5
214.39012	7.0
223.13348	9.8
239.17882	9.2
249.27710	7.5
257.19058	17.9
275.20099	100.0
290.35703	7.6
291.19641	9.8
293.21109	49.0
349.14221	7.9
505.38712	12.5
505.61264	7.0
603.36633	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	603.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01873	6.8
55.05510	30.3
57.07076	7.5
58.55447	3.1
60.60006	2.7
67.05508	32.5
69.07071	17.1
69.24757	6.3
69.25165	32.6
79.05495	27.1
81.03403	10.0
81.07056	37.6
83.04997	6.5
83.08627	26.2
86.53149	2.8
91.05480	34.2
93.07034	29.5
95.04974	41.5
95.08611	23.7
97.06563	5.9
97.10153	8.9
105.07059	22.5
107.04964	11.1
107.08598	22.6
109.06496	8.3
109.10139	11.4
111.08073	6.4
117.07006	11.6
119.08585	24.7
121.06532	4.3
121.10146	15.2
125.09623	5.7
129.06979	4.7
131.08563	13.7
133.10159	14.9
135.08029	5.6
135.11690	9.2
145.10150	21.0
147.11694	8.7
149.09615	16.8
151.11206	5.4
159.11726	9.9
163.11182	21.7
169.10095	3.2
171.11732	5.7
173.09665	4.4
175.11296	4.2
179.14334	4.8
183.11763	4.3
189.11298	6.2
193.12273	6.0
197.13213	2.8
202.33382	3.5
222.01300	3.3
223.13281	24.5
229.19379	3.9
239.17915	6.6
257.19040	11.1
273.18719	3.0
275.20081	100.0
277.21802	4.1
281.09650	3.3
291.19440	4.7
293.21152	61.0
414.55801	3.2
505.38654	9.4
603.41406	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	603.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01868	6.0
55.05515	23.2
55.15684	1.8
57.03434	4.2
57.07089	2.2
65.03934	1.9
67.05167	3.4
67.05505	45.9
69.03423	5.2
69.07065	24.4
70.06596	3.3
71.04996	2.4
71.15421	3.8
79.05499	43.8
81.03397	5.5
81.07059	55.4
82.07403	2.4
83.04989	5.3
83.08614	14.1
85.06525	3.1
91.05482	45.4
93.07041	39.3
95.04957	11.6
95.08609	29.5
97.06538	6.9
97.10165	7.1
99.08073	2.8
105.07024	44.2
107.04951	7.6
107.08590	31.3
109.06527	7.7
109.10161	18.6
111.08042	2.8
117.06998	16.8
119.08588	33.5
121.06477	5.4
121.10136	16.2
123.08076	5.8
123.11730	6.3
125.09615	5.9
129.06996	7.4
131.08553	19.6
133.10127	37.7
133.11082	3.1
135.08060	8.5
135.11682	8.9
137.09645	4.8
141.06966	2.5
143.08548	6.7
145.06470	2.4
145.10123	15.8
147.08032	3.4
147.11659	18.1
149.09608	11.2
149.13284	5.4
151.11188	5.2
155.08549	2.5
157.10136	8.3
159.11676	14.0
161.09627	2.3
161.13260	7.1
163.11215	5.0
165.12631	3.5
169.10223	3.5
171.07921	2.0
171.11697	5.7
173.13268	6.2
175.11180	2.5
177.12723	4.9
183.11719	4.5
185.13245	2.5
187.11224	3.5
187.14993	2.0
189.11272	5.2
195.13788	6.8
199.14873	2.3
205.56966	1.9
209.15089	2.0
213.14784	3.0
217.15935	2.5
229.19536	3.7
235.16943	3.7
239.17926	5.3
245.51253	1.7
247.20517	3.0
249.18427	2.3
257.19095	11.2
268.27908	2.1
273.18625	2.1
275.20065	100.0
276.20413	3.2
277.21634	4.6
293.21115	15.6
317.24725	2.2
327.44934	2.2
369.27795	2.1
473.31741	2.0
513.99091	2.0
519.62189	2.0
567.40411	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	17.3
55.05512	45.3
57.03446	9.3
57.07078	29.8
67.05514	59.4
69.07060	24.8
69.44426	5.4
70.03720	32.8
71.08630	23.3
72.81869	5.0
75.72626	6.4
79.05513	36.2
81.03416	19.4
81.07059	79.6
83.04987	11.3
83.08620	31.1
85.06522	6.1
85.10175	13.2
91.05482	51.4
93.07039	44.9
95.04971	60.9
95.08617	39.9
97.10175	10.9
98.20770	5.7
105.07023	44.1
107.04918	13.3
107.08599	35.9
109.06544	36.6
109.10150	26.8
111.04422	8.5
111.08084	21.4
113.06016	7.0
117.06983	17.7
119.08579	39.0
121.06483	6.7
121.10139	23.6
123.08086	9.2
123.11683	10.9
125.09664	12.9
129.07018	12.4
131.08580	23.1
133.10132	22.0
135.08054	16.9
135.11740	7.5
137.09544	9.4
143.08603	9.3
145.10158	27.9
147.04402	7.9
147.11710	13.8
149.09639	25.1
157.10103	8.7
159.11668	13.1
161.09651	17.9
161.13321	8.9
163.11217	31.1
163.14935	5.4
165.12746	10.9
171.11693	6.3
175.11314	6.6
177.12711	6.8
181.12315	7.8
183.11684	7.1
183.93114	6.4
189.11212	12.2
193.12277	19.7
217.15836	7.2
223.13222	33.9
263.28635	5.6
273.18475	59.6
275.20041	55.1
277.21655	26.7
291.19617	58.1
293.21124	100.0
295.22632	11.0
313.27197	27.3
347.22137	9.5
455.00336	5.9
505.38995	22.9
603.47174	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47161	5.0
55.01862	14.7
55.05515	35.9
57.07068	9.1
63.32795	5.0
67.05511	45.6
69.07072	22.6
69.26476	64.6
70.15822	4.8
71.08640	12.7
74.96019	5.8
79.05494	45.6
81.03443	8.6
81.07063	62.0
83.04988	8.8
83.08629	34.9
91.05474	36.7
93.07044	48.4
95.04980	35.0
95.08630	39.9
96.84189	5.6
97.06544	13.9
97.10182	14.2
99.08111	6.1
101.98200	5.1
104.42535	4.9
104.96861	5.4
105.07029	37.0
106.95229	5.0
107.04959	15.4
107.08601	24.5
107.77406	4.8
108.25020	5.2
109.06512	16.8
109.10172	17.9
111.08084	9.6
117.07030	12.1
119.08575	33.0
121.06524	8.3
121.10159	25.3
123.08098	13.1
123.11644	6.0
125.09625	10.6
129.07124	5.2
131.08595	26.8
133.10159	19.1
135.08038	12.0
135.11685	15.2
143.08559	6.7
145.06575	5.5
145.10135	20.9
147.11702	13.1
149.09630	19.7
151.11183	6.5
155.08620	6.2
157.10109	6.9
159.11710	9.7
161.09750	6.5
161.13261	5.5
163.11229	21.2
165.12805	8.2
173.13304	7.6
175.11115	6.1
177.12820	6.5
179.14366	15.0
187.11093	5.5
189.11249	9.3
217.16032	6.3
223.13364	25.0
239.18008	7.9
257.19067	14.2
273.18555	19.7
275.20099	100.0
277.21680	21.5
291.19574	37.7
293.21155	59.7
313.27399	7.8
345.88022	6.1
530.97986	5.0
560.61737	6.0
603.46680	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	602.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.7
57.07077	5.7
58.06594	1.7
65.03952	0.7
67.05517	1.4
67.35838	0.6
69.07048	1.8
69.37726	0.5
70.06596	16.7
71.08620	2.7
71.58801	0.6
71.59222	0.7
72.08144	0.5
79.05511	0.7
81.07056	1.8
83.08609	1.2
85.02932	0.7
85.19365	0.6
88.07635	20.3
89.06026	1.0
89.89391	0.7
91.05490	0.9
95.08625	0.7
97.02903	0.8
97.10166	0.6
102.09185	15.4
121.10126	0.8
147.04424	0.9
149.02344	29.4
156.17500	1.0
169.94060	0.5
175.03932	1.1
177.05557	0.7
193.04973	39.9
200.20097	48.4
201.20549	1.1
219.06534	1.1
225.05402	0.6
234.34506	0.6
237.07567	10.0
244.22748	2.0
249.72507	0.5
269.04410	0.7
279.11734	0.5
290.84927	0.7
297.04034	2.3
313.07117	2.4
341.06555	6.9
359.07550	5.8
385.09201	16.3
429.11807	25.8
430.12338	0.9
438.18573	0.8
493.79263	0.6
584.28296	1.3
602.29614	100.0
603.30206	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	602.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24252	0.7
53.03917	1.6
55.01841	2.1
55.05513	8.4
56.05001	1.4
57.03428	1.0
57.07038	1.0
58.99584	8.4
61.01149	0.7
61.02895	0.7
67.05503	17.5
68.58192	0.8
69.03365	1.1
69.07069	8.7
70.02920	0.9
70.06558	0.8
70.80882	2.4
71.04954	1.7
74.00668	7.8
76.02229	18.0
76.03973	2.0
77.03915	0.8
78.03757	1.1
79.05492	23.5
80.04961	0.7
81.03400	1.7
81.07054	21.7
81.40567	0.8
83.04935	2.0
83.06057	2.9
83.08622	6.1
84.04507	12.1
85.02861	1.1
85.04044	0.6
85.06503	0.9
86.99062	3.6
88.02209	1.7
91.04977	0.9
91.05477	13.5
93.07043	37.9
95.04971	4.1
95.08606	17.7
97.01074	1.0
97.02798	1.0
97.06480	2.8
97.10120	2.2
99.02594	0.7
99.05527	2.6
105.06412	1.0
105.07030	14.0
107.04971	1.5
107.08597	25.3
109.06464	1.6
109.10156	7.3
111.02649	1.6
111.08086	1.5
112.03907	0.8
116.01682	19.1
117.07022	5.2
119.08588	11.1
121.06499	1.8
121.09332	1.0
121.10142	17.1
123.02574	1.2
123.07999	1.4
123.11696	2.0
125.04213	1.0
125.09579	1.1
127.03876	0.7
129.06721	2.7
130.05002	6.8
131.08574	7.2
133.10109	8.4
135.08034	0.9
135.10712	1.3
135.11693	20.6
137.04182	0.9
137.05875	0.8
137.09503	0.8
142.03209	6.5
143.08479	2.2
144.01144	11.3
145.06055	2.4
145.10120	5.7
147.11693	10.7
149.09560	1.1
149.12169	1.2
149.13248	14.3
153.06525	1.1
157.10112	2.4
159.11653	5.1
161.09576	1.8
161.13252	4.4
162.02200	41.6
163.11148	1.1
163.14780	3.6
165.07246	1.0
167.06984	1.0
169.10138	1.1
170.02657	2.2
171.11687	3.4
173.13228	3.3
175.11186	0.8
175.14793	2.4
177.03241	1.4
177.12683	1.1
179.04848	15.5
179.10471	0.8
181.06154	1.1
185.13193	2.6
187.05325	1.2
188.03528	0.8
189.12697	1.4
195.11665	0.8
195.13792	0.9
199.05420	0.9
199.14819	2.0
207.13748	2.4
209.15225	1.5
213.16299	0.8
221.15379	1.2
231.04330	1.6
233.05885	1.7
235.16881	2.3
241.19528	3.5
245.05971	3.1
257.07541	0.7
259.20572	7.2
265.12473	1.1
275.20135	4.6
277.21625	100.0
278.21930	1.0
291.17819	3.2
295.22641	2.5
307.17245	2.5
308.09033	5.1
309.18808	5.0
334.21933	2.6
335.20380	2.2
352.23026	3.9
362.21674	1.4
370.24124	22.6
380.22330	1.3
400.24332	0.8
420.21918	1.6
438.23053	7.3
455.25751	16.6
456.24313	5.5
473.26794	40.8
474.27234	1.4
481.27472	1.3
509.26953	1.8
527.27905	13.1
584.30487	4.4
602.31519	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	16.7
55.05508	25.3
57.03444	10.9
57.07069	8.8
67.05505	44.2
69.07063	16.3
69.29746	17.3
69.30159	44.5
71.08633	9.4
79.05492	32.7
79.65038	5.4
81.03433	9.2
81.07066	68.8
82.53591	5.7
83.04984	9.8
83.08609	13.5
85.10207	10.1
91.05492	30.6
93.07037	37.2
93.11714	5.9
95.04979	45.7
95.08619	32.4
97.06538	22.1
97.10181	12.3
105.07043	44.4
107.04986	15.7
107.08595	25.2
109.06520	34.7
109.10175	17.0
113.06005	8.6
113.09678	9.9
117.07031	13.6
119.08633	30.9
121.06492	7.6
121.10145	14.6
123.08076	10.9
123.11671	6.2
131.08611	14.9
133.10117	27.7
135.08101	20.1
135.11696	13.9
135.74901	5.6
143.08604	7.1
143.71758	5.9
145.10149	21.6
147.11708	15.9
149.13284	7.6
153.09059	7.9
157.10074	8.3
159.11597	12.5
163.11237	17.0
165.12822	11.9
179.14319	8.4
189.11124	10.4
193.12312	17.8
217.15948	6.3
223.13408	10.1
247.20432	6.5
253.64255	6.4
257.19089	12.7
259.32190	5.9
273.18430	17.9
275.20093	100.0
277.21655	26.4
291.19641	53.7
293.21155	71.8
295.22772	31.2
317.20932	6.8
470.28787	6.4
585.41205	6.1
603.45355	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	602.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98404	0.6
69.03416	1.7
69.24487	0.6
69.31113	5.6
69.31532	1.3
70.06602	1.5
78.04715	1.3
79.05485	2.1
81.03425	1.1
82.77048	0.7
85.02921	3.4
88.59562	0.7
91.05463	2.0
95.04960	1.4
97.02862	1.3
98.97610	0.9
103.05458	2.6
105.07027	4.5
106.04195	0.8
107.04955	5.8
115.05429	1.6
117.07007	0.9
119.04954	1.4
121.06493	2.9
123.04440	4.8
124.05188	1.7
125.05979	0.7
127.03879	0.6
129.07034	0.9
131.04941	6.9
131.08586	1.4
133.06523	4.8
135.04483	0.9
135.08052	1.1
137.05978	5.4
139.03886	0.6
141.07047	0.6
143.04973	0.8
145.06476	2.4
147.04404	2.4
149.05960	0.9
151.03894	1.4
151.07535	3.8
151.40271	0.6
152.04707	1.7
158.07304	1.2
159.08044	2.0
161.05974	6.4
163.07553	11.0
165.05502	1.1
167.07050	100.0
168.07420	2.1
173.06088	1.5
173.09602	1.4
175.07529	1.9
177.09161	1.6
179.07054	7.7
181.04959	3.5
181.08524	4.5
187.07561	3.7
189.09123	1.8
193.08600	15.1
197.08121	1.1
201.09114	2.6
205.08636	1.5
219.10167	3.1
225.07590	10.2
233.11711	3.2
237.11165	3.1
249.11258	2.9
250.11627	1.8
251.12521	1.5
263.10641	1.1
264.70694	0.6
286.14951	0.7
323.12662	1.9
355.15390	13.8
387.18054	12.7
394.17178	1.1
405.19098	30.2
406.19373	1.1
602.21393	1.0
603.16107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01870	0.2
62.47052	0.2
65.03938	0.2
67.05492	0.3
69.03423	0.4
69.61830	1.1
69.62233	0.3
70.06571	0.2
71.15755	0.2
77.03927	0.3
78.04714	1.5
79.05497	2.8
81.03427	0.4
81.07059	0.4
81.45200	0.2
82.11535	0.2
85.02901	0.7
85.39715	0.2
91.05476	1.4
93.07045	0.6
95.04975	0.9
95.08650	0.2
97.02876	0.3
97.06512	0.3
98.21458	0.4
103.05478	3.3
105.07031	4.2
106.04172	1.0
107.04958	5.7
109.06540	0.5
111.04486	0.3
115.05466	1.1
117.07017	1.1
119.04942	0.5
121.02934	0.3
121.06519	1.5
122.03630	0.4
123.04436	4.5
123.08058	0.4
124.05215	2.3
125.06015	0.5
129.06992	0.4
131.04924	6.0
131.08577	0.7
132.05750	0.4
133.06497	5.0
134.03662	0.4
135.08075	1.0
136.05144	0.4
137.05988	2.5
139.03905	0.3
139.07564	0.3
141.07010	0.7
143.04880	0.6
143.08601	0.3
144.05716	0.6
145.06490	2.8
145.10072	0.3
147.04433	1.3
147.08061	0.5
149.05965	0.5
151.03943	0.9
151.07539	3.2
151.08664	0.3
152.04686	2.1
153.05479	0.5
157.06499	0.6
158.07301	1.1
159.08052	1.5
160.05280	0.4
161.05997	5.8
161.09523	0.3
163.07545	12.1
164.08060	0.2
165.05521	0.3
165.09143	0.4
166.06221	0.3
167.07043	100.0
168.07370	1.3
169.06412	0.3
173.05969	1.0
173.09650	1.2
175.07538	1.9
177.09132	2.2
179.07048	3.1
181.04994	1.7
181.08582	4.8
186.06755	0.5
187.07516	2.6
189.09111	0.6
191.07010	0.3
192.07848	0.6
193.08615	15.3
194.09023	0.2
195.10217	0.6
201.09117	2.0
203.08632	0.4
204.07788	0.3
205.08554	1.2
207.08443	0.2
207.10141	0.9
217.08623	0.8
219.10170	2.3
220.08890	0.2
221.11752	0.5
225.07602	0.2
231.08072	0.6
233.11736	2.6
237.11197	3.0
245.09491	0.2
248.08395	0.2
249.11322	0.3
251.12784	2.1
255.08661	1.0
263.10690	0.7
276.07764	0.3
285.07092	0.2
291.10138	0.6
295.13303	0.6
323.12790	1.6
324.13626	0.3
337.14600	0.3
340.13110	0.2
355.15396	12.1
356.15732	0.3
372.15475	0.2
373.16373	0.2
375.97797	0.2
387.18039	12.7
388.18375	0.2
405.19092	28.2
406.19406	0.8
423.20142	0.9
555.14661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
55.05502	0.7
55.25031	0.5
56.96558	0.5
57.41471	0.5
60.03757	0.5
61.02932	1.1
65.03935	1.1
67.05494	1.3
68.99781	1.2
69.03429	3.1
70.06595	0.8
70.76730	1.3
70.77087	1.1
71.04989	0.7
77.54214	0.5
80.08773	0.5
81.03416	1.4
83.04984	1.8
85.02912	7.0
86.09703	1.2
86.68909	0.5
91.05466	1.6
93.03394	1.1
95.05007	0.7
95.08599	0.6
97.02871	2.8
98.97560	0.9
99.04466	0.7
109.02885	1.0
111.03802	0.5
111.04451	3.0
115.05507	0.6
120.08183	1.2
121.02863	0.8
123.04425	1.1
127.03932	1.4
136.07567	2.6
137.07930	1.4
139.03905	100.0
139.34076	0.6
140.04234	0.8
145.05019	1.3
151.03909	2.4
154.06558	1.1
155.04933	1.3
163.03894	1.5
167.07068	1.2
169.05025	1.0
171.04411	1.0
177.05515	1.0
178.78851	0.6
180.04434	0.7
181.04993	2.2
182.06017	1.5
183.04434	3.1
190.11137	1.6
194.10170	0.6
198.05605	0.7
199.03975	2.7
199.11659	1.7
200.04628	1.0
200.07103	0.6
201.05504	2.2
205.04938	1.4
208.04039	1.4
209.04730	6.3
209.08157	0.7
210.05510	3.7
226.04988	3.5
227.03412	2.6
227.05638	1.0
228.04288	0.9
228.06549	6.3
229.05009	1.1
231.02905	1.3
236.03365	3.1
237.04265	10.1
238.04912	4.2
239.05722	0.6
244.06023	1.2
245.04497	1.8
250.05203	0.7
254.04492	35.5
255.05292	24.4
255.85181	0.6
256.06046	12.3
264.03726	0.6
266.04535	1.7
267.05289	0.8
280.14392	3.2
284.05530	4.5
289.14868	1.1
296.05658	0.8
302.06635	3.4
370.17462	6.0
370.67761	2.2
393.07742	0.6
395.07806	1.1
404.07651	2.3
413.08582	0.9
422.08710	35.3
423.09006	1.6
440.09766	14.7
441.09955	1.0
607.80743	0.6
619.48181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01860	8.2
55.05515	28.9
57.03425	5.3
57.07079	27.8
58.07395	2.9
59.04983	5.1
62.76328	2.0
65.03944	5.8
67.05171	3.3
67.05505	48.8
69.03429	12.7
69.07066	32.4
70.02242	11.2
71.04979	6.6
71.08623	12.8
79.05492	43.8
81.03413	12.0
81.07056	60.9
83.04979	22.8
83.08619	25.8
83.12083	1.8
85.06535	7.2
85.10161	7.6
86.21853	1.9
87.04459	6.3
89.06039	17.4
91.05483	67.7
93.07043	87.8
95.04968	30.9
95.08606	43.4
97.06531	35.2
97.10148	8.5
99.08083	5.2
103.05451	6.3
105.07030	100.0
106.07315	2.7
107.04942	13.3
107.07859	3.9
107.08593	72.6
108.08904	4.0
109.06506	16.5
109.10152	35.4
111.08096	9.3
113.05956	2.5
113.09661	5.2
115.05466	9.1
116.06245	4.0
116.45047	1.9
117.07018	26.8
119.06079	2.3
119.08584	90.7
119.09444	4.5
120.39068	2.2
121.06507	14.2
121.09315	4.1
121.10146	75.3
123.08060	15.0
123.11694	11.7
125.09617	14.2
128.06215	10.6
129.06990	16.7
130.07768	9.2
130.08641	3.6
131.08571	44.3
133.06461	7.6
133.08623	12.5
133.10123	57.9
134.08902	2.2
135.08054	20.9
135.11697	22.9
137.09624	13.1
139.07578	3.4
139.11162	6.9
141.06992	9.3
142.07813	16.6
143.08557	34.7
144.09276	8.7
145.06451	5.7
145.10126	70.4
146.07217	3.3
146.10471	3.7
147.04497	2.3
147.08046	13.8
147.11711	27.4
149.09602	30.7
149.13258	5.9
151.07487	3.7
151.11160	4.5
153.09149	2.9
155.08543	16.5
155.10681	6.4
156.09358	15.1
157.10127	48.6
158.07216	2.3
158.10786	5.0
159.08096	12.5
159.11682	42.8
161.06003	3.8
161.09608	17.5
161.13246	9.5
163.11186	21.2
165.07043	3.9
165.09108	15.5
165.12741	4.5
166.07690	3.1
167.08514	7.6
167.10683	48.0
168.09326	6.8
169.10112	21.9
170.10886	4.4
171.11703	28.0
172.12228	4.7
173.09688	11.8
173.13257	21.5
175.11179	9.6
175.14821	12.4
177.11351	4.8
177.12749	5.1
179.08556	9.7
179.10757	2.5
180.09343	4.1
181.10132	12.1
181.12206	7.4
182.10847	7.6
183.11703	22.2
184.12340	4.5
185.09642	5.1
185.13269	19.1
187.11186	6.3
187.14818	10.4
189.11221	3.0
189.12735	8.9
191.14339	6.0
192.09331	4.5
192.86502	2.3
193.10136	11.3
193.12126	4.1
194.10896	6.6
195.11731	19.3
196.12422	7.1
197.13278	20.6
198.13544	2.6
199.11182	5.2
199.14827	14.3
200.15479	2.6
201.12698	5.8
201.16399	6.8
203.08659	2.7
203.14278	6.2
205.10036	3.5
206.10854	3.2
207.11752	11.5
207.13528	3.1
208.12341	6.0
209.13260	18.4
210.13739	4.4
211.11119	4.2
211.14865	13.3
213.12724	6.4
213.16289	4.6
215.14363	4.3
217.10030	3.5
217.15877	10.4
219.11687	5.5
220.12379	4.9
221.13202	9.3
221.15381	27.8
222.13977	4.0
223.14969	12.4
224.15434	3.9
225.12738	3.7
225.16370	10.1
227.14333	3.9
227.17958	2.5
229.15837	4.7
231.11647	4.8
232.12469	3.6
233.13129	6.1
233.15378	28.9
234.13933	4.6
234.16153	3.2
235.14760	7.9
235.16911	4.2
236.15395	3.3
237.16382	7.7
239.17831	6.4
241.16055	3.0
245.13239	4.7
245.18925	2.9
247.14679	2.7
249.16489	5.8
251.18039	3.6
255.17424	5.3
256.17746	2.9
257.18970	6.0
259.14886	3.1
260.15549	3.1
261.16394	4.8
263.17664	2.9
265.15778	2.4
265.19391	5.1
267.17514	3.5
269.18994	8.5
271.13226	3.9
271.20477	2.8
273.18457	8.0
275.20200	28.7
281.19199	3.6
283.20544	8.4
285.18411	2.8
287.20166	3.1
291.19543	18.5
293.21222	16.0
295.20389	2.9
299.20209	4.6
301.21637	5.8
308.19977	3.3
313.27158	2.5
317.22614	2.7
348.24414	2.6
349.25452	3.1
415.29434	2.6
491.34955	4.2
565.39746	6.8
583.41290	16.4
601.41602	39.2
602.41718	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	601.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
55.01860	8.2
55.05515	28.9
57.03425	5.3
57.07079	27.8
58.07395	2.9
59.04983	5.1
62.76328	2.0
65.03944	5.8
67.05171	3.3
67.05505	48.8
69.03429	12.7
69.07066	32.4
70.02242	11.2
71.04979	6.6
71.08623	12.8
79.05492	43.8
81.03413	12.0
81.07056	60.9
83.04979	22.8
83.08619	25.8
83.12083	1.8
85.06535	7.2
85.10161	7.6
86.21853	1.9
87.04459	6.3
89.06039	17.4
91.05483	67.7
93.07043	87.8
95.04968	30.9
95.08606	43.4
97.06531	35.2
97.10148	8.5
99.08083	5.2
103.05451	6.3
105.07030	100.0
106.07315	2.7
107.04942	13.3
107.07859	3.9
107.08593	72.6
108.08904	4.0
109.06506	16.5
109.10152	35.4
111.08096	9.3
113.05956	2.5
113.09661	5.2
115.05466	9.1
116.06245	4.0
116.45047	1.9
117.07018	26.8
119.06079	2.3
119.08584	90.7
119.09444	4.5
120.39068	2.2
121.06507	14.2
121.09315	4.1
121.10146	75.3
123.08060	15.0
123.11694	11.7
125.09617	14.2
128.06215	10.6
129.06990	16.7
130.07768	9.2
130.08641	3.6
131.08571	44.3
133.06461	7.6
133.08623	12.5
133.10123	57.9
134.08902	2.2
135.08054	20.9
135.11697	22.9
137.09624	13.1
139.07578	3.4
139.11162	6.9
141.06992	9.3
142.07813	16.6
143.08557	34.7
144.09276	8.7
145.06451	5.7
145.10126	70.4
146.07217	3.3
146.10471	3.7
147.04497	2.3
147.08046	13.8
147.11711	27.4
149.09602	30.7
149.13258	5.9
151.07487	3.7
151.11160	4.5
153.09149	2.9
155.08543	16.5
155.10681	6.4
156.09358	15.1
157.10127	48.6
158.07216	2.3
158.10786	5.0
159.08096	12.5
159.11682	42.8
161.06003	3.8
161.09608	17.5
161.13246	9.5
163.11186	21.2
165.07043	3.9
165.09108	15.5
165.12741	4.5
166.07690	3.1
167.08514	7.6
167.10683	48.0
168.09326	6.8
169.10112	21.9
170.10886	4.4
171.11703	28.0
172.12228	4.7
173.09688	11.8
173.13257	21.5
175.11179	9.6
175.14821	12.4
177.11351	4.8
177.12749	5.1
179.08556	9.7
179.10757	2.5
180.09343	4.1
181.10132	12.1
181.12206	7.4
182.10847	7.6
183.11703	22.2
184.12340	4.5
185.09642	5.1
185.13269	19.1
187.11186	6.3
187.14818	10.4
189.11221	3.0
189.12735	8.9
191.14339	6.0
192.09331	4.5
192.86502	2.3
193.10136	11.3
193.12126	4.1
194.10896	6.6
195.11731	19.3
196.12422	7.1
197.13278	20.6
198.13544	2.6
199.11182	5.2
199.14827	14.3
200.15479	2.6
201.12698	5.8
201.16399	6.8
203.08659	2.7
203.14278	6.2
205.10036	3.5
206.10854	3.2
207.11752	11.5
207.13528	3.1
208.12341	6.0
209.13260	18.4
210.13739	4.4
211.11119	4.2
211.14865	13.3
213.12724	6.4
213.16289	4.6
215.14363	4.3
217.10030	3.5
217.15877	10.4
219.11687	5.5
220.12379	4.9
221.13202	9.3
221.15381	27.8
222.13977	4.0
223.14969	12.4
224.15434	3.9
225.12738	3.7
225.16370	10.1
227.14333	3.9
227.17958	2.5
229.15837	4.7
231.11647	4.8
232.12469	3.6
233.13129	6.1
233.15378	28.9
234.13933	4.6
234.16153	3.2
235.14760	7.9
235.16911	4.2
236.15395	3.3
237.16382	7.7
239.17831	6.4
241.16055	3.0
245.13239	4.7
245.18925	2.9
247.14679	2.7
249.16489	5.8
251.18039	3.6
255.17424	5.3
256.17746	2.9
257.18970	6.0
259.14886	3.1
260.15549	3.1
261.16394	4.8
263.17664	2.9
265.15778	2.4
265.19391	5.1
267.17514	3.5
269.18994	8.5
271.13226	3.9
271.20477	2.8
273.18457	8.0
275.20200	28.7
281.19199	3.6
283.20544	8.4
285.18411	2.8
287.20166	3.1
291.19543	18.5
293.21222	16.0
295.20389	2.9
299.20209	4.6
301.21637	5.8
308.19977	3.3
313.27158	2.5
317.22614	2.7
348.24414	2.6
349.25452	3.1
415.29434	2.6
491.34955	4.2
565.39746	6.8
583.41290	16.4
601.41602	39.2
602.41718	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	601.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.6
53.03949	5.9
55.01869	5.5
55.05514	28.5
57.03445	3.7
57.07089	10.0
57.21088	2.0
59.05006	4.6
64.43635	1.9
65.03936	5.7
67.05505	44.2
69.03435	19.9
69.07075	25.7
71.04980	4.2
71.47041	3.0
71.47385	4.0
75.33461	2.0
78.04190	1.7
79.05495	40.5
81.03420	5.5
81.07062	78.8
82.54555	2.1
83.04985	20.4
83.08620	18.4
84.82212	1.9
85.06542	6.0
91.05486	65.1
93.06466	4.2
93.07050	82.1
95.04977	35.5
95.08611	46.1
97.06540	13.1
97.10176	6.7
103.05493	6.7
105.07034	97.7
106.07328	2.4
107.04958	10.2
107.08601	79.0
109.06524	37.7
109.10162	29.8
111.04445	2.4
111.08091	5.1
113.05981	3.5
113.09652	5.9
115.05477	6.7
116.06228	3.5
117.07024	26.0
119.04972	2.6
119.08588	100.0
120.25690	1.7
121.06525	13.9
121.10149	73.6
121.11043	4.1
122.10477	2.2
123.08069	18.9
123.11714	9.8
125.06031	5.1
125.09620	16.3
128.06212	12.6
129.07022	20.6
130.07794	9.0
131.08577	54.0
132.09219	2.3
133.06483	8.0
133.10136	66.2
135.08044	25.7
135.11674	20.3
137.09602	15.3
139.11195	5.0
141.06996	10.6
142.06052	2.0
142.07782	19.0
143.08578	40.6
144.09386	9.7
145.06511	6.9
145.10129	78.7
146.07281	3.0
147.08049	28.1
147.11703	24.7
149.09616	21.3
149.13226	3.8
151.07527	9.3
151.11182	4.5
153.07025	2.5
154.07765	3.7
155.08580	16.5
155.10666	4.6
156.09378	18.4
157.10130	58.2
158.10884	7.4
159.08052	17.0
159.11700	36.4
160.08932	2.2
161.09625	22.7
161.13242	12.4
163.11166	17.9
163.14754	2.2
165.06999	4.8
165.09123	38.8
166.07806	2.9
167.08543	8.2
167.10677	42.5
168.09343	7.9
169.10127	29.0
170.10878	7.7
171.08009	2.7
171.11684	34.4
172.12567	2.8
173.09618	8.4
173.13287	21.1
174.13863	2.0
175.11209	12.5
175.14816	9.4
177.09065	2.6
177.12729	5.8
178.07919	2.4
179.08528	10.4
180.09344	7.7
181.10126	17.4
181.12274	15.9
182.10930	8.0
183.11687	22.8
184.12407	5.8
185.09650	6.3
185.13232	22.5
187.11221	7.3
187.14838	6.9
189.11224	2.7
189.12764	6.4
189.16344	3.1
191.10674	2.2
191.14299	8.0
193.10153	12.6
193.12097	4.2
194.10925	6.5
195.11755	23.6
195.13516	3.6
196.12451	5.3
197.13271	26.6
198.13928	3.2
199.11119	4.6
199.14809	15.3
201.12761	5.6
201.16432	3.3
203.14362	17.6
205.10139	2.3
205.15881	2.4
206.10947	5.6
207.11693	12.9
207.13840	6.7
208.12445	6.6
209.13292	22.5
209.15160	3.9
209.44798	2.6
210.10291	2.5
210.14034	5.5
211.11319	2.9
211.14845	19.1
213.12709	3.5
213.16437	10.4
215.14345	4.2
217.15875	7.4
218.10910	2.5
219.11684	7.3
220.12523	4.0
221.13239	13.5
221.15338	75.3
222.13943	4.9
222.15804	4.0
223.11284	3.5
223.14879	12.4
225.16350	10.1
227.14377	5.0
227.17950	2.1
229.15823	3.6
229.19424	2.9
231.11691	3.5
231.17374	3.4
233.13213	6.7
233.15411	24.3
234.13934	2.7
234.16086	2.9
235.14882	11.3
237.16460	5.5
239.17973	6.4
244.12605	2.3
245.13232	4.2
247.14822	6.4
247.17049	3.3
249.16365	6.4
251.17986	6.6
253.19485	2.3
255.17516	4.7
256.17963	2.1
257.19049	5.4
259.14749	6.0
261.16373	4.4
263.18057	3.4
265.15948	2.3
265.19498	9.5
269.18964	7.3
271.20499	3.2
273.16312	2.8
273.18613	20.7
274.19174	2.3
275.17517	2.2
275.20258	21.2
277.19531	3.2
281.18921	3.6
283.20477	10.6
285.18549	3.8
286.19278	2.4
287.20068	8.0
291.19525	40.2
293.21185	7.5
295.20602	7.0
299.20044	6.6
300.20850	2.7
301.21655	6.3
304.19489	2.4
311.20047	2.9
312.21045	2.6
317.22577	2.3
331.24277	2.9
349.25287	7.0
351.26990	2.3
352.23923	5.9
353.24420	9.3
365.24759	2.5
366.25253	3.0
367.26352	6.3
375.26761	3.7
378.25555	2.1
393.28159	3.5
401.28625	2.2
403.29749	2.5
491.34961	4.5
503.34921	2.5
504.35468	2.9
509.34509	2.4
513.13104	2.2
521.35925	7.3
565.40381	11.1
583.41400	19.4
584.41583	2.6
601.42352	43.0
602.42615	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.8
55.05521	9.5
56.56747	1.5
57.07082	9.1
59.05001	3.7
63.58367	1.2
63.97585	1.1
65.03936	2.0
67.05502	16.6
69.03432	6.7
69.07066	7.9
69.47421	12.0
69.47788	1.6
71.04986	2.0
71.79158	1.1
76.51273	1.2
79.05493	13.4
81.07056	27.6
83.04983	6.7
83.08626	3.4
85.06536	4.9
91.05482	27.6
93.07047	37.1
95.04974	10.1
95.08601	26.0
96.08993	1.3
97.06547	4.7
97.10162	1.8
98.20808	2.8
99.08082	1.5
105.07030	48.3
106.07338	2.3
107.04993	3.1
107.08617	23.2
109.06524	12.0
109.10146	11.1
111.08105	3.6
115.05435	2.8
116.06262	2.7
117.07011	11.7
119.08586	50.2
120.08906	3.6
121.06503	6.7
121.10154	22.4
122.07296	2.0
123.08083	17.0
123.11697	2.0
125.05997	4.4
125.09624	2.3
128.06229	4.7
129.07002	8.4
130.07822	2.5
131.08566	20.3
132.08891	1.3
133.06500	2.7
133.10132	25.4
134.10548	1.8
135.08060	13.0
135.11664	8.5
137.09618	16.1
141.07034	3.5
142.07784	6.6
143.08569	18.1
144.09306	2.4
145.06552	1.6
145.10124	33.4
146.10527	2.7
147.08066	24.9
147.11678	7.6
148.08492	1.5
149.09645	7.8
151.07559	13.9
151.11191	1.6
153.09030	1.9
155.08548	7.4
156.09370	6.1
157.10127	20.9
158.10641	2.9
159.08072	4.0
159.11703	19.7
160.89996	1.3
161.09639	3.7
161.13292	8.3
163.11200	10.8
164.11572	1.4
165.07072	2.5
165.09116	50.8
166.09482	2.1
167.08600	2.9
168.09319	4.4
169.10095	9.4
170.10815	3.6
171.11717	12.4
173.09686	4.5
173.13235	6.6
175.11261	5.8
175.14883	4.5
177.09090	1.5
177.12773	2.1
179.08615	3.3
181.10124	4.9
181.12209	9.9
182.10966	2.3
182.12527	1.7
183.11726	9.5
184.12387	1.7
185.09686	1.4
185.13313	7.8
187.11217	3.4
187.14905	3.9
189.12813	4.8
190.13550	1.6
191.10765	2.5
191.14146	3.1
191.29820	1.4
193.10179	3.5
193.12270	3.1
194.10942	2.8
195.11708	6.8
195.13470	1.5
196.12370	3.5
197.09695	1.5
197.13324	6.8
199.11215	1.9
199.14818	4.5
201.12785	3.6
203.14351	15.8
205.10245	1.6
207.11723	4.9
207.13887	5.6
208.12531	1.5
208.14532	1.9
209.13306	7.0
209.15189	2.2
210.13895	1.9
211.11295	1.8
211.14812	5.8
213.12701	3.0
213.16592	2.9
219.11804	1.8
219.13841	2.1
221.13335	3.7
221.15370	100.0
222.14000	1.4
222.15811	7.2
223.14885	4.3
225.12819	1.6
225.16373	3.1
227.14429	2.2
229.15863	2.0
231.13716	1.7
233.13268	1.7
234.16078	3.6
235.14783	3.1
235.16849	2.3
237.16460	2.3
239.17972	1.7
241.15852	1.6
247.14784	2.1
247.17014	6.5
248.17426	2.9
249.16356	2.0
251.17957	1.4
265.15955	1.9
273.18570	3.5
275.19983	4.7
283.20670	1.9
285.18658	2.2
287.20093	5.6
291.19662	5.4
299.20230	6.2
300.20782	4.6
301.21640	4.0
307.20648	1.5
312.09482	1.4
312.20795	1.8
313.21512	2.7
325.21817	2.4
326.22253	2.1
340.23938	2.4
341.24472	2.8
352.24020	4.8
353.24472	3.9
365.24863	1.5
367.26486	7.4
377.24777	1.6
393.28058	3.7
419.29770	1.9
426.27094	3.1
427.28323	1.7
428.28912	2.6
435.29095	1.4
440.29214	2.9
441.29495	7.5
491.35138	9.4
509.36096	5.9
521.36078	10.4
565.39685	2.1
583.41382	14.1
601.42487	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	601.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.8
53.03944	5.0
53.57090	1.4
55.01871	3.1
55.05518	24.2
57.07084	9.6
59.04998	2.8
65.03935	5.1
67.05161	3.0
67.05507	37.1
69.03429	14.8
69.07072	29.0
69.33457	8.9
69.33888	6.5
71.04984	4.4
77.03910	3.3
79.05498	37.6
80.22353	1.5
81.03410	2.1
81.06575	2.5
81.07064	48.8
83.04989	21.2
83.08620	16.0
85.02944	2.3
85.06541	5.4
87.04459	3.7
91.05487	59.2
92.05807	1.6
93.07050	80.1
95.04971	30.6
95.08044	3.1
95.08614	42.1
97.06541	17.9
97.10171	3.3
103.05458	4.3
105.04515	2.2
105.07037	100.0
107.04959	2.6
107.08601	84.3
108.08925	3.3
109.06528	19.0
109.10166	35.3
111.08093	8.1
113.09638	5.2
115.05460	7.3
116.06233	3.0
117.07018	25.8
119.08591	94.6
120.08860	3.0
121.06519	13.5
121.10151	87.2
122.10435	2.4
123.08077	13.6
123.11725	11.2
125.06004	1.9
125.09670	13.4
128.06247	13.1
129.07021	16.6
130.07817	7.4
131.08580	46.1
132.09155	1.3
133.06487	5.7
133.10138	66.3
134.10515	1.6
135.08049	16.5
135.11694	17.0
137.09619	10.4
139.11186	7.5
141.06992	10.4
142.07796	27.7
143.08562	42.4
144.09393	10.1
145.06470	3.1
145.10135	74.6
146.07233	2.8
146.10454	1.9
147.08049	13.9
147.11717	23.4
149.09634	20.2
149.13252	6.9
151.07518	4.3
151.11183	4.6
153.07010	4.5
154.07706	4.7
155.08563	18.9
155.10683	6.5
156.09370	20.3
157.10138	59.3
158.07341	1.5
158.10936	9.3
159.08086	16.6
159.11705	37.1
160.12065	2.1
161.09642	16.4
161.13252	12.4
163.11189	8.4
165.07085	7.5
165.09169	9.8
165.12746	1.5
166.07701	3.7
167.08627	9.1
167.10684	68.8
168.09335	9.8
168.10875	2.1
169.10141	35.0
170.10907	10.3
171.08012	2.5
171.11707	39.4
172.12411	3.4
173.09604	5.5
173.13298	28.2
175.11224	11.2
175.14803	18.2
177.12720	4.0
178.07817	2.6
179.08546	11.7
179.10780	2.1
179.14369	2.2
180.09312	6.1
181.10121	15.0
181.12233	6.3
182.10904	10.7
183.11716	28.6
184.12375	4.4
185.09647	6.0
185.13280	19.5
186.13821	2.4
187.11209	5.9
187.14822	10.4
189.12759	8.7
189.16304	2.8
191.08650	1.8
191.14331	7.2
192.09384	3.4
193.10150	13.4
193.11929	2.2
194.10869	10.1
195.11728	20.1
196.12543	8.1
197.13255	24.4
198.13757	3.9
199.11201	3.9
199.14864	15.7
201.12767	3.7
201.16420	7.1
203.14314	7.7
205.10101	2.8
205.15886	1.6
206.10915	5.9
207.11740	16.1
207.13643	2.1
208.12439	7.1
209.09756	2.0
209.13319	27.6
209.15207	2.5
210.13918	4.7
211.11174	5.5
211.14795	16.2
213.12749	4.7
213.16376	5.7
215.14365	8.7
215.17892	1.6
217.09940	2.3
217.15880	4.9
218.10918	2.6
219.11746	5.6
220.12477	5.8
221.13274	13.6
221.15413	21.6
222.13911	3.6
223.11258	2.1
223.14803	16.4
224.15486	3.2
225.12834	3.7
225.16463	8.4
227.14317	6.8
227.17978	1.9
231.11736	5.6
231.17436	2.2
232.12448	3.5
233.13243	6.6
233.15352	38.1
234.13925	2.9
234.16010	3.7
235.14827	10.5
236.15562	2.4
237.16397	7.2
239.14229	2.3
239.18015	4.8
241.15839	4.2
241.19615	2.6
243.11606	2.7
244.12469	3.6
245.13274	3.8
246.13962	2.5
247.14772	9.5
248.15494	2.9
249.16422	7.3
251.17914	6.9
253.19518	1.9
255.17491	3.5
257.19019	3.7
259.14810	3.8
260.15506	2.0
261.16260	7.6
263.17996	6.1
265.19647	7.6
267.17575	2.0
269.19144	9.5
270.19757	2.0
271.14841	2.0
271.20419	2.7
273.16077	3.0
273.18646	4.2
275.17828	4.6
275.20300	3.6
277.16129	1.9
277.19305	3.0
279.17630	2.1
279.21051	2.3
281.19055	6.7
283.20532	8.0
285.18616	4.6
287.20193	4.5
289.19440	4.2
295.20529	6.9
299.20258	7.3
301.21613	5.2
307.20453	2.5
309.22104	2.3
311.20303	2.6
315.21231	2.2
329.22702	2.8
333.22113	2.1
343.24149	2.9
349.25320	4.2
359.23645	2.6
367.26462	2.6
373.25385	2.0
377.24783	2.9
393.27975	1.7
399.44891	1.5
491.35223	1.9
517.98596	1.6
547.39191	2.4
565.40186	5.8
583.41394	13.0
601.42676	12.2
602.42688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.7
54.58451	6.1
55.01870	11.3
55.05508	38.3
55.77427	6.0
57.07056	12.3
60.46435	5.6
67.05505	69.7
67.59314	5.9
69.03417	8.7
69.07074	29.0
70.11423	15.8
70.11830	19.5
71.08659	7.9
79.05501	55.2
81.03416	16.3
81.07052	80.9
82.40261	6.1
83.04990	22.4
83.08615	22.5
87.04485	7.4
91.05482	67.6
93.07043	92.9
94.92751	6.1
95.04974	40.9
95.08601	53.7
97.06529	20.0
97.10162	20.4
98.21411	11.1
105.07034	100.0
107.04955	22.8
107.08590	65.4
109.06541	21.0
109.10167	32.7
111.08079	15.0
117.06995	31.9
119.08582	86.9
121.06517	23.8
121.10136	68.7
123.08073	18.6
123.11670	7.0
125.09633	17.1
129.07034	20.4
131.08574	46.2
133.06519	11.0
133.10121	54.3
135.03543	8.0
135.08080	23.9
135.11676	21.6
137.09625	13.4
139.11197	8.8
141.06969	8.3
142.07816	15.8
143.08559	29.5
145.06479	7.1
145.10114	53.7
147.08066	20.8
147.11708	22.4
149.09641	26.7
151.11177	7.0
153.07082	8.4
153.09082	8.3
155.08563	11.2
156.09290	9.8
157.10150	30.4
159.08070	14.6
159.11697	24.4
161.09622	21.9
163.11150	26.8
163.12422	8.1
165.09117	10.7
165.12708	14.6
167.08588	12.7
167.10634	33.7
169.10133	18.3
171.11674	28.0
173.09671	9.5
173.13264	23.6
175.11165	9.0
175.14749	12.1
179.08546	7.5
182.10928	9.9
183.11697	14.8
185.09685	10.4
185.13281	18.7
187.11104	6.9
187.14897	19.9
189.11172	13.5
189.12726	7.6
193.10146	8.6
193.12416	7.0
195.11723	22.5
197.13274	8.1
199.14713	12.3
201.12723	8.8
205.12370	7.3
207.11844	8.6
209.13417	11.0
213.16252	8.6
215.14336	7.7
221.15404	29.8
223.13211	8.5
233.15382	19.5
245.18919	8.9
263.17773	7.0
273.18558	42.6
275.20203	45.6
289.18005	9.8
291.19534	47.9
293.21152	31.5
301.31573	7.7
301.91586	7.7
462.78748	7.0
583.39569	13.7
601.42279	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	601.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01865	12.3
55.05513	27.4
55.19497	2.9
57.03419	12.9
57.07075	6.9
65.03948	4.3
67.05168	4.5
67.05507	57.1
69.03426	4.6
69.07072	17.2
70.74506	12.0
71.05006	4.3
71.08640	5.7
79.05499	51.3
81.03412	7.8
81.07063	79.2
81.49155	2.9
83.04974	8.3
83.08621	22.3
85.06548	5.6
91.05495	43.0
93.07050	55.5
94.24895	3.3
95.04973	53.4
95.08607	30.8
97.06540	12.4
97.10175	17.1
105.07039	44.3
107.04957	21.2
107.08601	39.3
109.06528	58.9
109.10161	16.5
111.04469	3.9
111.08081	6.7
113.06013	22.4
117.07042	21.2
119.08583	40.3
121.06501	9.8
121.10147	27.3
123.08091	17.0
123.11679	5.5
125.09629	13.2
128.06232	4.4
129.06999	11.7
131.08572	26.5
133.10121	23.8
135.08061	31.3
135.11674	12.2
137.09608	6.6
143.08577	10.0
145.06447	6.2
145.10146	34.9
147.08057	12.4
147.11690	14.7
149.09618	21.2
149.13295	6.1
151.11151	7.7
153.09134	4.1
155.08479	4.1
157.10141	10.1
159.08000	4.7
159.11673	17.8
161.09605	8.7
161.13326	8.4
163.11249	21.3
165.09076	8.6
165.12791	3.4
167.10748	6.9
169.10130	5.9
170.10989	3.3
171.11656	8.2
173.09505	3.3
173.13225	7.4
173.98877	3.1
175.11206	4.9
177.12738	4.5
181.12355	3.3
183.11681	7.2
185.13232	6.3
187.11119	5.6
189.11201	7.7
193.12209	11.2
194.46706	3.1
195.11714	3.9
196.12294	3.4
201.12862	3.8
201.16417	2.9
203.14331	4.9
209.13371	6.1
215.14297	3.2
217.15981	7.3
220.06464	3.4
221.15384	7.8
223.13358	17.0
229.19579	3.3
233.15396	5.3
247.20566	8.0
255.17438	3.6
257.18921	7.3
273.18579	36.3
275.20084	64.9
277.21616	10.3
289.17981	5.6
291.19550	100.0
293.18707	3.4
293.21198	35.1
309.20596	5.5
431.95016	3.2
565.39185	5.2
583.40527	7.6
601.41608	19.1
601.50806	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14890	3.4
55.05516	7.6
57.07072	14.2
58.48043	4.0
59.04998	3.8
65.03955	3.8
67.05505	16.4
69.03428	8.5
69.07070	11.0
70.79574	11.7
77.43604	3.7
79.05496	15.5
81.07063	36.7
83.04980	7.7
83.08621	5.8
85.06577	3.6
86.69823	3.8
89.06025	9.2
91.05493	20.0
93.07039	32.7
95.04980	10.6
95.08629	28.1
97.06534	4.6
98.98666	3.6
105.07034	43.4
107.08609	24.9
109.06576	7.7
109.10166	12.9
117.07005	10.8
119.08585	42.8
121.06554	7.2
121.10157	25.1
123.08070	13.3
123.11707	3.6
125.05957	5.6
129.06989	4.5
130.07787	3.8
131.08594	17.3
133.08685	4.3
133.10158	18.3
134.10518	4.3
135.08075	13.6
135.11690	7.2
137.09630	14.7
142.07816	8.8
143.08577	12.4
145.06534	4.8
145.10133	35.6
147.08054	24.5
147.11732	7.4
148.08432	4.6
149.09645	7.9
151.07576	13.3
155.08582	5.3
157.10167	19.5
159.08086	4.2
159.11775	17.9
161.09663	8.1
161.13225	6.9
163.11200	9.9
165.09116	45.2
166.09415	5.0
169.10136	14.0
170.81552	3.9
171.11734	14.3
173.13232	9.4
175.11177	6.4
175.14859	6.1
177.09074	5.6
181.12192	9.1
183.11725	8.4
185.13197	4.4
187.11172	4.6
187.14876	4.6
195.11694	7.7
203.14336	15.0
207.11774	5.8
207.13669	6.6
208.14438	4.3
209.13263	6.7
211.14798	5.8
220.08011	3.8
221.15373	100.0
222.15791	9.1
225.16344	4.0
235.14752	4.7
247.17059	6.3
248.17406	4.9
249.16396	5.0
273.18738	3.9
275.20081	4.6
287.20105	5.9
291.19727	12.5
299.19632	4.4
301.21765	5.1
311.19952	4.0
313.21201	5.1
326.22000	4.7
340.23593	6.2
352.24033	4.4
367.26117	6.3
393.27686	4.3
413.27582	4.7
420.29849	4.3
505.93402	4.6
509.35938	6.5
521.36029	14.8
583.41577	13.6
600.28674	4.3
601.42352	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	601.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79058	0.7
51.02364	0.8
53.03940	3.6
53.38783	0.8
55.01870	6.8
55.05262	1.3
55.05511	19.5
57.03432	4.6
57.07068	2.4
64.02003	0.6
65.03939	2.1
67.05505	28.9
69.03429	2.7
69.07069	9.6
70.32532	1.2
70.32895	2.9
71.04981	2.5
71.08612	1.3
79.05491	36.7
81.03414	5.2
81.07056	100.0
83.04974	8.1
83.08620	12.9
85.02905	0.9
85.06567	1.8
87.04482	1.8
89.06037	2.0
91.05477	23.1
93.07041	21.6
95.04971	13.7
95.08604	15.9
97.06533	5.8
97.10169	12.4
99.08099	1.7
102.89185	0.7
103.05502	0.9
105.07028	22.1
107.04961	8.1
107.08593	17.4
109.06520	34.8
109.10135	8.0
111.04449	5.1
111.08076	4.0
112.48542	0.7
115.05450	1.9
117.07014	11.1
119.08580	30.0
121.06509	6.4
121.10146	11.3
121.26508	0.8
123.04415	1.1
123.08071	10.7
123.11700	4.0
125.09635	8.6
129.07043	4.3
130.07759	0.9
131.08566	14.1
133.06491	2.1
133.08612	0.9
133.10126	11.7
135.08047	6.0
135.11703	5.7
137.09653	3.3
139.11124	1.0
141.07059	1.0
142.07793	0.9
143.08517	4.5
145.06552	1.7
145.10118	13.5
146.42650	0.7
147.08040	7.4
147.11688	9.9
149.09627	7.7
149.13264	8.0
151.11147	1.6
153.09140	2.9
153.12778	1.3
155.08536	1.1
157.06683	0.7
157.10162	3.0
159.08046	1.0
159.11707	8.1
161.09642	3.3
161.13304	3.2
163.11176	11.3
163.14871	3.2
164.90898	0.7
165.09151	3.7
165.12767	2.1
167.08582	1.0
169.10051	1.3
171.10284	1.2
171.11728	2.2
173.09596	1.7
173.13304	3.1
175.11250	3.0
177.12791	2.6
179.14346	1.3
181.09984	0.7
181.12218	1.8
183.11711	1.7
185.13301	2.3
187.14868	1.4
189.11247	7.4
189.12738	1.5
191.10725	2.6
191.14267	1.0
193.12268	3.0
197.13237	0.8
199.11230	0.9
217.15819	0.9
219.13936	0.9
223.13280	4.5
227.12843	2.7
227.17972	1.3
229.19557	4.0
237.16759	0.9
239.17995	1.7
245.18991	1.8
247.20555	5.6
249.14932	1.0
255.17491	3.2
257.19064	4.6
263.20285	0.9
273.18503	18.6
275.20059	72.3
291.19531	72.1
293.21088	10.3
293.23810	0.9
309.20587	4.2
517.82697	0.9
547.38214	1.6
565.39008	2.3
583.40320	2.6
601.40894	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	601.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06329	2.0
53.03945	5.3
55.01864	6.7
55.05266	2.4
55.05511	33.4
57.03425	2.1
57.07072	4.3
67.05504	28.5
68.02515	1.8
69.03422	3.2
69.07075	18.2
70.20275	6.6
71.04982	2.8
71.08632	3.5
76.59373	1.8
79.05498	23.6
81.03423	11.6
81.07059	35.0
83.04973	5.6
83.08617	23.0
91.05471	27.4
93.07051	26.4
95.04967	27.3
95.08618	20.9
97.06522	4.0
97.10173	16.3
98.20744	2.0
105.07036	25.8
107.04963	10.8
107.08603	19.2
109.06525	8.7
109.10173	10.1
111.08051	5.0
117.07030	10.5
119.04991	2.2
119.08573	21.2
121.06502	6.1
121.10157	12.7
123.08073	6.5
123.11716	3.7
125.09632	10.9
129.06981	6.2
131.08551	14.1
133.06520	3.3
133.10112	19.1
133.33781	1.9
135.08043	5.2
135.11676	6.5
137.09619	4.5
139.11172	2.2
143.08511	4.7
145.06493	3.9
145.10120	20.3
147.08076	5.7
147.11687	9.9
149.09630	14.3
149.13268	3.2
151.11148	4.3
153.09058	2.4
155.08551	2.9
157.10181	4.1
157.96445	1.7
159.10583	1.7
159.11681	11.2
161.09554	3.4
161.13223	4.8
163.11159	22.3
165.09203	2.0
165.12735	3.4
169.10081	3.7
171.11659	4.4
172.42366	1.9
173.09593	4.9
173.13251	5.0
175.11244	2.9
175.14844	2.5
177.12761	4.1
183.11725	2.7
185.13303	2.8
189.11253	10.2
197.13252	2.5
221.15359	4.4
222.15642	1.8
223.13318	21.4
229.19525	4.3
239.17976	5.3
249.14687	2.5
255.17488	2.1
257.18924	11.9
271.13452	2.9
273.18561	12.4
275.20065	63.2
289.18127	1.9
291.19547	100.0
293.21097	49.7
309.20587	3.0
338.91794	2.1
491.14206	2.2
583.39648	12.0
601.41083	13.1
621.03424	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01875	12.1
55.05512	43.2
57.03428	5.3
57.07071	6.4
59.04997	2.6
64.58835	1.4
65.03909	1.5
67.05504	44.2
69.03420	4.9
69.07071	18.2
71.04971	4.8
71.06183	2.5
71.06498	1.5
71.08605	4.0
72.08942	1.4
79.05491	51.9
81.03406	11.1
81.07056	100.0
83.04977	15.0
83.08134	2.5
83.08619	40.1
85.02910	2.1
85.10170	3.1
87.04463	1.7
89.06025	2.9
91.05479	43.2
93.06466	2.4
93.07046	43.0
95.04971	47.8
95.08607	28.6
97.06525	15.8
97.10164	15.8
99.04397	2.6
99.08104	2.8
105.07037	42.7
107.04951	20.7
107.08590	29.4
109.06520	11.4
109.10153	16.2
111.04432	14.6
111.08078	12.7
115.05422	1.9
117.07011	17.4
119.08575	36.9
121.06519	10.9
121.10135	22.1
123.08064	19.3
123.11695	4.2
125.09633	16.0
128.06189	1.3
129.07034	9.0
130.07805	2.2
131.08568	27.2
133.06485	3.5
133.08589	2.0
133.10124	23.4
135.08051	8.2
135.11688	13.2
137.09622	6.3
139.11157	3.0
142.07710	2.1
143.08560	7.8
145.06442	2.7
145.09016	2.5
145.10110	30.0
147.08046	10.1
147.11700	17.1
149.09619	32.2
149.13312	2.8
151.11192	4.4
153.09105	2.7
153.12721	5.6
155.08549	6.6
157.10126	7.1
159.08023	2.7
159.11691	17.7
161.09648	4.1
161.13242	5.8
163.11186	42.3
165.09050	3.1
165.12744	6.4
169.10124	5.9
171.10265	2.4
171.11697	6.3
173.09665	8.6
173.11847	2.2
173.13234	8.6
175.11182	5.9
177.12737	4.1
181.10191	2.5
181.12181	7.2
182.94009	1.4
183.11691	5.9
185.13260	2.8
187.11201	4.2
189.11206	11.4
189.12718	3.3
191.10698	9.0
191.14331	1.7
193.12291	1.8
195.11566	1.7
197.13283	3.8
199.14806	1.9
203.14165	1.8
205.12183	3.1
209.11699	2.9
211.14822	3.2
213.16301	1.7
215.14386	2.0
219.13918	1.7
221.15388	2.2
223.13278	38.0
227.12749	11.0
227.17920	1.6
229.19536	5.7
233.15338	2.1
239.17989	10.4
245.19049	2.2
247.20612	3.8
249.14899	2.8
255.17485	3.6
257.18976	17.4
263.20117	1.8
273.18494	25.7
275.20059	98.1
276.20712	1.8
291.19537	86.8
293.17783	2.9
293.21103	61.0
309.20547	15.5
437.30234	1.7
547.37524	2.5
565.38440	4.2
583.39954	5.1
585.06036	1.4
601.41302	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	601.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
54.12202	1.2
55.01875	9.8
55.05513	33.3
55.11916	1.2
57.03425	3.8
57.07077	7.1
59.04995	1.9
62.76450	1.3
62.87080	1.3
65.03947	3.3
65.54174	1.2
67.05175	2.5
67.05506	37.8
67.55739	1.1
69.03414	4.5
69.07072	14.2
69.38367	13.6
71.04989	3.5
71.08619	3.1
79.05495	36.4
81.03423	14.0
81.07059	73.2
83.04993	10.7
83.08620	26.0
85.02898	2.0
85.06518	1.9
85.10168	2.6
89.06029	2.7
91.05483	28.7
93.07047	31.9
95.01346	1.7
95.04972	36.0
95.08605	22.5
97.06525	6.2
97.10169	27.3
98.20765	2.5
99.04462	1.6
99.08101	2.6
103.05448	1.5
105.07028	24.9
107.04963	17.5
107.08596	27.4
109.06506	15.7
109.10157	14.1
111.04449	9.1
111.08071	9.0
115.05460	2.7
117.06998	14.2
119.04904	1.7
119.08590	28.7
121.06491	9.0
121.10145	17.3
123.08072	15.4
123.11707	1.9
125.09631	17.7
128.06165	1.7
129.06989	6.0
131.08586	17.3
133.06506	4.1
133.08583	2.5
133.10126	13.3
135.08084	8.7
135.11722	10.0
137.09589	4.0
139.11198	1.7
141.06984	2.5
143.08603	7.5
145.06480	4.5
145.10130	22.4
147.08058	13.4
147.11678	7.5
149.05969	1.4
149.09621	19.5
149.13268	3.5
151.11186	1.7
153.09085	5.6
153.12755	3.5
155.08548	3.7
157.10152	7.1
159.08102	2.0
159.11711	9.9
160.05304	1.7
161.05971	3.7
161.09627	7.2
161.13234	2.9
163.11182	23.7
165.09123	4.2
165.12741	3.6
167.10583	1.7
169.10175	4.7
171.10298	1.9
171.11690	5.1
173.05849	1.7
173.09621	5.5
173.11845	1.4
173.13272	5.3
175.11208	4.7
175.14803	1.6
177.12688	3.5
181.12221	7.2
183.11736	2.0
185.13303	1.8
187.11124	3.7
189.09464	2.4
189.11220	19.6
189.12729	2.4
191.10611	9.9
193.12227	3.7
194.59041	1.3
195.11569	1.5
203.10712	1.6
205.12245	3.8
207.13809	3.2
209.11693	1.9
223.13271	17.1
227.12708	7.1
227.17838	2.0
229.19490	2.6
237.16399	2.3
239.17912	2.9
245.19008	2.6
247.20583	2.1
249.14790	3.1
249.18506	1.7
255.17351	5.1
257.19113	6.1
271.13266	4.0
273.18509	34.5
275.20074	71.3
289.14282	1.7
291.19537	100.0
293.21118	18.8
309.20670	9.8
313.27335	2.4
319.74332	1.5
345.16827	1.8
366.88968	1.5
395.29324	1.5
402.90173	1.7
427.28079	2.3
445.29276	3.2
455.31476	2.2
529.36395	2.3
547.37811	6.6
565.38837	8.7
583.39948	13.7
601.41180	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	601.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36519	0.4
52.40125	0.5
53.03933	2.3
55.01873	4.9
55.05512	14.6
57.03434	1.4
57.07049	1.4
59.04995	1.0
62.57225	0.4
65.03938	1.3
67.05508	19.2
69.03437	2.5
69.07069	6.7
70.01770	2.5
71.04979	2.3
76.28632	0.5
79.05496	25.4
81.03423	4.7
81.07059	52.6
83.04994	7.8
83.08618	12.7
85.02905	2.2
85.06520	0.8
85.10161	0.5
91.05479	18.4
93.07047	18.5
95.04971	24.3
95.08050	0.8
95.08609	11.5
97.06109	0.4
97.06551	4.4
97.10172	6.9
99.04445	1.2
99.08095	0.9
103.05432	0.6
105.07036	16.7
107.04958	7.9
107.08597	14.3
109.06523	24.4
109.10149	6.4
111.04436	6.0
111.08077	4.8
113.06020	1.1
113.09663	0.5
115.05447	1.2
116.06195	0.6
117.07027	10.7
119.04890	1.0
119.08586	22.5
121.06511	5.7
121.10152	8.5
123.04454	0.7
123.08069	5.5
123.11710	1.5
125.05959	0.7
125.09628	6.2
128.06218	1.4
129.07011	4.2
130.07779	1.1
131.08577	10.0
133.06490	1.7
133.10129	9.5
135.08066	5.8
135.11678	5.5
137.09602	3.1
139.11229	0.9
141.06966	1.0
143.08528	3.1
145.06454	1.7
145.09035	0.9
145.10130	15.1
147.08057	7.8
147.11700	6.5
149.09615	12.3
149.13293	0.9
151.07457	0.7
151.11191	1.5
153.09100	1.1
153.12737	2.1
155.08549	1.9
157.10124	3.9
159.08047	1.3
159.11705	5.4
161.09634	5.2
161.13251	2.4
163.11191	16.5
165.09102	1.9
165.12750	1.5
167.08618	0.6
167.10750	0.6
168.09261	0.5
169.10104	2.3
171.07916	0.6
171.10298	0.6
171.11641	2.8
173.09651	2.8
173.11935	0.6
173.13197	2.8
175.11206	2.2
175.14861	1.0
177.12752	1.8
181.12270	4.3
183.11664	1.7
185.13246	1.4
187.11176	1.4
189.11244	6.2
189.12781	0.8
191.10698	4.5
193.12254	1.8
195.11681	0.7
197.13272	1.2
199.11108	0.6
199.14720	0.7
201.12833	0.8
203.14386	0.6
205.12230	1.5
209.11649	1.0
211.14865	1.2
213.12778	0.7
213.16405	0.6
215.14449	0.7
215.18092	0.8
221.15411	1.5
223.13293	16.8
227.12814	4.2
227.17993	1.1
229.19505	1.5
237.16515	0.9
239.17905	2.7
241.19557	0.7
245.19041	1.4
247.20673	0.6
249.14851	2.6
255.17444	2.7
257.19058	4.0
259.20578	1.5
273.18515	17.2
275.20071	28.5
277.21741	1.0
289.18103	1.3
290.18814	1.7
291.19547	100.0
293.21121	16.5
309.20615	2.9
423.93173	0.6
503.36917	0.6
565.39301	1.0
583.40161	2.2
601.41534	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	601.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41692	0.8
53.03944	3.8
53.93557	0.8
55.01868	8.1
55.05265	1.6
55.05514	24.5
57.03433	3.5
57.06865	0.8
57.07080	8.8
59.04996	2.3
64.42161	0.8
65.03934	3.1
67.05508	31.0
69.03432	5.0
69.07071	16.9
69.58542	0.8
70.87934	1.9
71.05001	1.7
71.08620	3.2
79.05498	30.1
81.03422	16.6
81.07059	56.9
83.04983	11.2
83.08152	0.9
83.08625	15.2
83.72330	0.8
85.02899	1.0
85.06538	2.2
85.10197	3.0
91.05486	30.6
93.07047	33.8
95.04973	20.3
95.08044	1.7
95.08609	21.8
97.02895	1.1
97.06541	6.0
97.10173	17.6
99.08116	1.5
103.05469	1.8
105.07035	29.2
107.04961	11.2
107.07867	1.4
107.08601	27.4
107.19910	0.9
109.06533	14.5
109.10146	11.8
111.04440	7.9
111.08054	5.7
115.05467	3.7
117.07018	15.6
119.04945	1.9
119.08585	34.2
120.08889	1.0
121.06524	12.3
121.10162	18.1
123.04368	1.2
123.08076	15.4
123.11682	3.0
125.05979	1.5
125.09637	16.0
128.06207	2.4
129.07030	9.0
130.07777	1.9
131.04947	1.6
131.08574	19.9
133.06522	5.6
133.08597	1.0
133.10135	18.8
135.08072	9.9
135.11682	8.2
137.09616	5.6
139.11176	2.1
141.07019	2.4
141.33118	1.0
142.07809	2.4
143.08582	9.4
144.09283	1.1
145.06493	2.9
145.09035	1.6
145.10138	24.7
146.10655	1.1
147.04453	1.7
147.08054	16.3
147.11688	10.3
149.09631	12.5
149.13234	2.1
151.07492	1.5
151.11183	3.6
153.09135	5.1
153.12761	2.6
154.07909	1.1
155.08533	4.5
156.09386	1.5
157.06503	1.4
157.10129	11.8
159.04509	1.8
159.08076	4.0
159.11703	12.3
160.05252	2.4
161.06012	6.8
161.09642	9.7
161.13245	3.4
163.11183	13.5
165.07053	1.5
165.09123	12.2
165.12737	1.6
167.08618	1.6
167.10693	4.2
169.10118	5.9
170.10832	1.1
171.11696	7.4
173.06006	4.6
173.09625	4.4
173.13254	5.2
175.11229	5.8
175.14842	2.8
177.12764	2.1
179.08510	1.5
181.10114	2.5
181.12248	6.9
182.10904	1.3
183.11720	4.2
185.13260	4.9
187.07558	1.3
187.11212	3.0
187.14833	3.0
189.09489	1.7
189.11253	12.9
189.12750	2.0
191.10638	5.1
191.14340	2.9
193.10211	1.5
193.12280	1.9
195.11711	2.9
197.13252	3.1
199.11240	1.2
199.14822	2.0
201.16371	1.2
203.10670	1.7
203.14336	2.8
205.12186	1.4
207.11737	2.1
207.13692	1.7
209.11621	1.5
209.13335	2.5
209.15364	1.2
210.14209	1.2
211.14841	2.2
213.16527	1.5
221.13385	1.6
221.15375	15.6
223.13084	4.2
227.12743	5.2
227.17950	1.8
231.17395	1.6
233.15398	2.2
235.14758	1.2
237.16385	2.8
239.18036	1.9
243.13762	2.5
245.19025	3.8
247.20578	1.7
249.14635	1.8
249.18684	1.0
255.17442	6.2
257.18961	7.7
271.13239	8.8
273.18524	30.3
275.20090	43.9
287.20074	1.3
289.14337	3.2
291.19562	100.0
293.21075	18.2
299.19858	1.1
309.20563	6.9
313.27335	5.2
345.17026	2.8
365.24728	1.2
367.25906	1.2
427.28650	1.3
445.29382	1.7
466.04926	1.1
491.35394	1.5
547.38074	2.2
565.39221	4.9
583.40308	6.4
601.41211	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50330	18.1
52.75829	19.8
54.41726	21.8
60.20237	19.9
65.86088	18.5
67.05499	52.2
69.07076	25.5
71.07195	24.6
71.07533	33.9
76.65166	22.0
81.07045	74.5
91.05481	26.8
93.07035	67.8
95.08595	48.0
105.07032	100.0
107.08560	32.9
109.10165	22.3
111.55463	18.4
119.08594	77.5
121.10120	33.0
123.08051	38.3
131.56772	19.7
133.10065	35.2
139.11176	28.7
142.07669	24.8
147.08034	38.8
157.10152	22.7
159.11682	27.8
160.08832	82.0
165.09198	38.7
221.15337	76.9
222.15771	42.9
249.49402	24.4
271.73340	20.3
286.19312	23.7
300.20770	23.1
338.58057	24.1
440.28864	26.4
548.56274	23.4
574.03735	25.4
600.41736	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	600.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00332	1.2
53.03959	1.8
55.05515	7.8
57.07075	100.0
59.05002	15.3
66.07677	1.3
67.05511	9.3
69.03429	2.6
69.07070	7.2
69.60632	1.2
69.69330	8.1
71.04964	1.6
71.08633	73.5
72.69808	1.2
73.06561	2.9
79.05500	8.6
81.03408	3.1
81.07050	12.0
82.07372	1.9
83.04981	4.1
83.08611	8.0
83.53540	1.2
85.06542	1.4
85.09653	1.6
85.10179	52.3
87.04453	9.5
89.06031	85.1
91.05482	12.0
93.07032	13.5
95.04960	8.3
95.08599	7.9
97.06530	5.4
97.10197	4.2
98.20747	2.9
99.11745	7.6
103.07581	5.1
105.07027	14.8
107.04990	3.2
107.07053	2.9
107.08603	13.3
109.06544	4.0
109.10163	5.4
111.08083	3.2
113.09646	1.3
113.13284	5.2
117.07012	4.8
117.09188	3.4
119.08580	15.1
121.06551	1.4
121.10137	12.4
123.08084	4.5
123.11745	2.9
125.09647	2.9
128.06204	2.3
129.07011	3.1
130.07794	1.8
130.08670	5.1
131.07031	3.5
131.08577	9.1
133.06470	3.1
133.08606	77.1
133.10069	9.0
135.08061	3.9
135.11687	2.7
137.09648	2.4
139.11214	1.9
141.07019	2.6
142.07780	3.5
143.08546	7.5
145.10118	13.0
147.08025	4.0
147.11719	5.4
149.09660	4.0
155.08510	2.8
155.10638	3.1
155.17943	6.9
156.09457	3.1
157.10126	11.6
159.08031	2.6
159.11668	8.5
161.09573	1.5
161.13225	2.4
163.11153	3.6
165.09114	1.7
167.10686	5.2
169.10139	4.3
169.12187	1.7
170.10915	1.4
171.11690	8.2
173.09668	2.8
173.13252	4.5
175.09674	3.9
175.14929	2.0
177.11235	36.8
177.12598	1.3
180.09320	1.7
181.10114	2.9
181.12236	2.7
183.11745	6.0
185.13306	5.1
187.11180	1.8
187.14868	1.8
189.12814	2.1
191.14265	2.0
192.09311	2.0
193.10196	2.3
193.12251	2.2
195.11746	5.6
197.13248	5.3
199.11299	1.5
199.14833	2.2
207.11763	2.8
209.13284	2.8
211.11270	1.7
211.14839	3.2
213.12860	1.6
213.22119	7.6
215.14397	2.2
221.13589	6.0
221.15500	5.7
223.14973	2.3
225.16428	2.4
231.11661	1.6
233.15413	5.5
235.14841	2.1
237.16484	2.2
239.14848	2.9
241.15825	1.5
247.14868	2.1
249.16438	1.5
255.17455	4.4
257.24646	7.9
263.17850	2.1
273.18646	4.0
274.18982	1.7
275.20108	4.5
282.19504	1.4
283.17520	5.2
283.20636	1.8
291.19739	3.4
327.20432	4.4
353.21674	3.7
365.24655	1.5
371.22751	29.2
411.26120	2.5
422.59830	1.5
429.26678	2.1
582.39636	2.0
583.44220	7.9
600.39777	4.9
600.47290	5.8
601.41614	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	6.9
57.07062	23.0
57.56107	4.8
67.05491	22.4
69.03426	7.0
69.07068	6.3
69.44805	47.3
76.44540	5.2
76.46132	4.7
79.05482	21.4
81.07067	25.9
83.04982	12.8
83.08614	6.2
85.06554	6.7
89.06023	8.8
91.05502	31.7
93.07047	41.0
95.04949	15.0
95.08611	29.9
95.45071	5.2
97.06502	7.3
97.10136	6.4
98.21507	10.2
104.34821	4.6
105.07040	51.8
107.04964	5.5
107.08582	29.9
109.06538	11.9
109.10148	17.3
111.08120	6.9
117.06998	12.1
119.08600	81.6
121.06526	7.7
121.10149	28.8
123.08050	18.2
125.05972	13.5
125.09621	5.6
128.06212	7.9
129.06989	11.4
131.08582	25.9
133.10172	32.7
135.08072	24.0
137.09622	17.4
142.07744	10.4
143.08569	26.8
144.09352	6.7
145.10124	41.7
147.08057	39.1
147.11707	9.9
149.09621	14.2
151.07559	11.0
155.08530	12.8
156.09349	7.6
157.10117	40.4
158.10843	9.1
159.08092	6.1
159.11739	29.1
161.09578	8.7
163.11148	23.3
164.70041	5.6
165.06935	5.3
165.09146	46.8
165.10376	8.3
167.08525	6.3
169.10100	16.1
170.10864	11.2
171.11665	18.6
173.09706	10.8
173.13258	8.6
175.11160	24.4
177.12680	5.2
181.10135	8.5
181.12219	20.9
183.11710	19.1
185.09619	11.4
185.13255	11.8
187.14825	8.4
189.12781	8.0
190.13489	6.3
191.10616	8.2
193.09961	5.5
193.12230	16.7
195.11740	8.1
197.13278	9.0
199.11292	5.4
201.12842	8.6
203.14323	19.1
207.13779	12.1
208.14523	10.6
209.13451	7.0
211.14735	8.4
216.14877	4.9
221.13333	10.2
221.15381	100.0
223.14861	6.5
225.16304	6.1
234.16087	21.2
241.15776	6.6
247.16867	23.6
254.00015	4.9
263.17871	6.2
269.18805	6.6
274.19315	11.5
275.20212	5.2
287.20172	13.1
297.18286	4.6
299.20129	14.0
312.20731	8.5
313.21515	9.4
321.51614	5.7
325.21628	14.4
327.23010	5.4
339.23193	8.4
340.23901	17.7
352.23981	21.5
363.06042	5.5
365.24719	8.2
366.25604	5.6
419.29330	12.4
425.26767	15.0
427.28412	15.7
440.29233	43.7
508.35599	10.6
520.35278	37.5
600.41321	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	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59491	32.4
55.05518	33.9
67.05488	55.3
71.31967	71.2
79.05483	37.7
81.07066	52.3
83.08608	51.3
89.66277	30.1
91.05472	57.4
93.07040	100.0
94.32598	28.5
95.08620	60.4
103.85893	31.1
105.07040	44.6
107.08621	61.7
107.87810	29.8
119.08573	66.6
119.77551	33.7
121.10116	40.5
126.86489	29.7
131.08514	57.6
133.10173	49.3
135.08057	46.8
145.10196	51.0
157.10085	49.8
165.09116	58.7
169.42595	42.8
175.11140	43.2
187.69173	37.8
221.15411	72.7
263.60361	35.9
433.05084	34.9
520.35443	45.1
539.79846	34.7
545.77032	42.1
600.41724	50.4
600.50458	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	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01851	0.9
55.05509	3.2
56.05014	0.6
57.03434	0.5
58.99589	0.9
65.03943	0.6
67.04275	0.4
67.05168	0.6
67.05503	7.1
69.03423	0.4
69.07076	3.0
70.06567	0.5
70.73331	0.5
70.73676	0.4
71.04990	0.5
73.01132	0.3
74.00673	1.8
76.02224	2.2
76.03978	0.4
79.05495	6.8
80.04994	1.4
81.03415	0.7
81.07056	18.8
82.07375	0.4
83.04973	1.1
83.06126	1.6
83.08620	2.4
84.04507	4.8
85.01121	0.9
85.02911	0.3
85.06517	0.6
86.00656	0.6
86.99039	0.3
88.02196	0.4
91.05478	6.1
93.05756	0.4
93.07037	5.8
94.06558	1.1
95.04977	2.1
95.08601	11.0
97.01118	1.4
97.06525	1.1
97.10168	0.8
97.76615	0.3
99.01418	3.5
99.02701	0.4
99.05562	0.7
99.08084	0.4
100.02202	4.8
101.06017	0.3
102.05538	0.4
105.07029	6.5
106.06572	0.7
107.04952	1.5
107.06079	0.3
107.08585	4.9
108.08113	0.8
109.06526	3.8
109.10162	2.4
111.02655	0.9
111.08075	0.8
112.02187	6.7
113.00585	0.4
113.02993	1.5
113.04243	1.0
114.03749	6.6
116.01666	1.8
117.07014	1.2
119.08572	4.6
120.08102	0.6
121.06504	1.1
121.10127	2.7
122.09651	0.7
123.02650	0.7
123.08070	1.0
123.11702	1.1
125.02974	0.3
125.04211	1.0
125.09620	0.4
126.03709	2.5
127.02235	0.3
127.05830	0.5
129.06563	2.2
130.05008	2.0
131.08562	3.1
133.10138	3.3
134.09657	1.1
135.08051	1.0
135.10577	0.3
135.11688	1.2
136.03983	0.4
137.04208	0.9
137.09592	0.8
138.03731	2.1
139.02129	0.4
139.03194	0.7
139.05785	1.0
140.05276	6.7
141.04805	0.4
141.07170	0.4
142.03246	0.6
142.06874	0.4
143.02805	0.4
143.08557	0.7
144.01216	0.4
145.06143	0.9
145.10120	2.8
147.08003	0.5
147.11690	3.6
149.04196	0.3
149.09628	1.2
149.13225	1.7
151.05814	0.6
151.11136	0.7
152.01598	0.3
152.05304	2.0
153.06526	0.6
153.09271	0.3
154.06866	1.3
155.08270	0.4
157.10188	0.7
159.07916	0.3
159.11682	1.9
161.09641	0.3
161.13281	0.8
162.02245	0.9
163.05768	0.4
163.11198	1.8
163.14819	0.7
165.12727	0.6
166.06870	1.2
167.07323	0.4
168.08420	14.9
169.10130	0.3
170.02747	0.4
171.11649	0.6
173.09546	0.3
173.13264	1.9
175.11293	0.3
177.12764	0.3
179.04921	0.9
180.08350	0.4
181.06021	0.6
183.11775	0.3
185.03795	2.6
187.05392	0.8
189.03302	0.3
189.12793	0.5
191.08878	0.4
191.14346	1.1
193.12282	0.5
202.04041	2.1
202.15933	0.4
204.13806	0.3
207.13811	0.5
208.17003	0.5
209.09285	0.3
209.15344	2.3
210.14905	0.4
215.04985	0.3
216.05629	3.1
219.13721	0.3
222.14874	0.8
229.06435	0.5
231.04362	3.5
233.05997	1.1
236.14624	1.3
236.16566	1.0
239.11111	0.3
241.06436	1.1
247.20512	0.7
248.16371	0.3
255.08003	2.4
256.08795	0.4
257.07623	0.4
257.18967	0.8
264.14157	5.2
265.14969	0.8
269.09570	2.0
270.10345	6.5
271.11053	1.4
275.20078	6.6
277.12637	0.4
281.14417	2.2
282.15216	29.7
283.15530	1.0
292.22678	0.3
293.20966	1.5
307.17126	0.5
308.09073	1.4
309.14053	0.6
321.16281	0.4
323.15985	0.8
323.20166	0.3
332.20490	0.4
333.18741	2.1
338.16467	0.4
339.17545	0.5
350.21448	8.5
351.19577	1.5
368.22540	11.3
369.22968	0.5
378.20923	0.9
384.17120	9.4
385.17758	2.0
435.23380	0.5
453.24185	100.0
454.24384	5.3
479.25894	0.6
507.25171	0.6
525.26428	4.8
582.28644	1.8
583.27026	0.8
600.29431	8.5
601.29529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01862	2.0
55.05521	5.2
57.03428	1.5
57.13188	1.0
58.99323	1.6
58.99589	16.0
61.02916	1.4
67.05511	10.1
69.03434	1.4
69.07075	5.0
70.06572	2.4
71.04983	1.7
71.16563	0.9
71.60245	1.4
74.00605	1.1
76.02228	72.8
76.03968	2.1
79.05505	6.4
81.03398	1.4
81.07049	14.2
83.04980	3.5
83.06097	1.3
83.08614	2.0
84.04506	16.9
85.02886	1.8
86.09704	5.4
86.99052	3.6
88.02198	1.8
91.05476	8.6
93.07040	10.9
95.04974	3.9
95.08613	8.2
97.02872	1.6
97.06539	2.2
97.10151	1.6
98.31126	1.1
105.07029	9.5
107.04961	2.8
107.08597	6.6
109.06531	5.1
109.10147	3.8
116.01675	21.7
117.07024	1.9
119.08589	6.6
121.06498	3.9
121.10155	3.1
123.04469	1.0
123.08097	2.2
123.11684	2.0
125.00016	3.7
125.09564	1.1
127.03964	1.0
129.06615	1.8
130.04985	5.7
131.08528	7.2
132.98570	1.0
133.06525	1.8
133.10141	6.5
135.08044	2.1
135.11699	2.3
137.05945	1.4
142.03203	7.1
144.01131	12.7
145.06343	1.6
145.10103	7.1
147.08055	1.3
147.11739	4.9
149.09622	3.1
149.13229	1.5
151.11156	1.6
157.10153	1.8
159.11697	3.5
161.09671	2.2
161.13264	2.0
162.02211	44.5
163.11232	1.7
165.09073	1.2
167.07079	2.3
169.10139	1.1
170.02725	2.9
171.11629	1.5
173.09741	0.9
173.13292	2.6
175.11171	1.7
177.12819	1.3
179.04855	100.0
183.11708	1.9
184.07344	20.7
187.05342	3.1
201.12756	1.2
207.13797	2.5
215.04860	2.2
219.13837	1.4
229.19460	1.3
233.05911	10.4
239.17944	1.8
245.05925	3.8
247.20784	1.7
250.39603	1.0
257.19025	3.3
261.86636	1.2
273.18549	3.2
275.20053	32.2
276.20529	1.3
291.06360	2.4
291.19458	2.9
293.21094	22.8
308.09106	36.6
368.22470	12.7
453.24289	6.6
471.25076	3.6
480.21741	1.1
497.91742	1.0
510.22760	1.2
525.26343	5.5
558.24066	1.1
582.28308	1.8
600.29352	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	600.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.03418	0.4
61.02911	0.4
67.05489	0.3
69.03416	1.2
70.06586	0.4
70.27901	0.8
79.05479	0.3
85.02914	2.2
91.05489	1.6
97.02887	1.0
103.05475	0.4
105.07037	0.7
107.04972	1.2
109.02882	0.3
115.05453	1.1
116.06234	0.5
117.07014	0.9
121.02861	0.4
122.16888	0.2
127.03928	0.9
128.06215	1.6
129.07007	5.3
131.04948	0.3
131.08572	7.0
132.05681	0.4
133.06461	1.0
133.10114	0.5
137.05978	2.2
141.06984	2.1
142.07808	0.5
143.08572	1.0
144.05707	2.4
145.02844	0.4
145.05122	0.4
145.06467	1.8
147.04398	0.5
149.05930	0.3
151.03899	0.3
153.06989	0.8
156.05692	0.4
157.06508	2.6
158.07242	0.6
159.08058	11.4
161.05989	1.0
161.09605	2.7
162.07668	0.5
163.03903	0.3
167.07050	3.2
169.06429	0.5
169.07672	0.7
170.07281	2.0
171.08066	2.6
172.05199	0.7
172.88554	0.3
173.06027	1.4
174.06747	0.7
175.07542	1.6
177.05467	0.9
178.06201	0.3
179.07042	1.9
180.08714	1.3
181.08617	0.4
186.06801	0.3
187.07545	9.5
188.08154	0.4
189.05461	0.4
189.09091	4.2
190.06216	0.5
191.07039	0.5
192.07603	0.4
193.08624	0.7
198.06718	0.7
199.07561	1.4
201.05450	0.5
203.07068	1.0
204.07823	5.2
205.08582	0.9
206.09438	0.4
207.10161	0.3
216.07838	1.3
217.08612	0.7
218.09308	0.5
219.10196	2.2
221.08278	0.5
221.11760	1.5
231.10172	2.7
234.08832	0.5
237.11189	0.9
249.11234	100.0
250.11568	1.1
251.09119	0.5
263.91617	0.3
267.12283	2.0
379.14380	0.3
431.70328	0.3
452.95621	0.2
574.70618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
62.12692	0.4
64.27784	0.4
67.05523	0.6
69.03419	1.0
70.06606	0.5
70.75771	1.2
70.76131	1.0
81.03407	0.7
85.02916	3.0
90.89229	0.5
91.05477	2.1
94.78146	0.5
95.08614	1.6
97.02885	1.0
98.97589	1.6
99.64673	0.4
105.07031	1.8
107.04955	0.9
109.06507	0.5
109.10166	0.6
111.34766	0.5
116.98607	0.7
117.07013	0.6
119.08569	1.8
123.08071	0.6
128.06256	1.3
129.07018	3.1
131.08582	4.1
133.06520	1.1
133.10051	0.9
141.07005	1.4
143.08611	0.5
144.05695	1.8
145.06458	1.7
146.67752	0.5
147.11671	1.8
157.06491	2.0
158.99698	0.6
159.06813	0.9
159.08066	10.6
161.09665	2.0
163.87482	0.5
167.07053	0.9
169.07704	0.7
170.07300	1.1
171.08064	1.4
172.05304	0.5
173.06010	1.0
175.07558	1.2
177.00703	1.0
178.06010	0.5
180.08510	0.5
187.06056	0.9
187.07568	8.2
188.08395	0.6
189.09177	3.1
198.06886	0.5
199.07552	0.8
201.10228	0.5
203.07065	1.2
204.07811	3.5
207.13736	0.9
216.07819	1.4
219.10248	1.6
221.11763	1.1
231.10204	2.6
237.11279	0.9
249.11247	100.0
250.11594	0.7
263.09421	0.6
267.12225	5.1
305.10498	0.6
323.11749	0.8
406.17487	0.7
406.67654	1.1
407.17847	0.9
408.18350	0.5
425.14682	1.1
431.90210	0.6
462.65442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05499	0.4
58.76771	0.3
62.49984	0.3
67.05489	0.7
69.03419	0.6
69.07063	0.4
70.06589	0.6
70.97536	0.8
71.04975	0.7
73.02914	0.4
81.03410	0.7
81.07059	0.4
85.02921	2.6
91.05474	1.0
93.07022	0.5
95.08584	0.7
97.02902	0.5
103.05466	0.3
105.07041	0.7
107.08580	0.8
108.84205	0.3
109.10168	0.8
115.05448	0.8
117.03461	0.4
117.07005	0.8
119.08581	0.7
121.06448	0.4
121.10152	0.9
123.08038	0.3
127.03909	0.4
128.06224	1.2
129.05496	0.5
129.06998	3.8
131.04922	1.0
131.08578	3.8
132.04472	0.5
133.06480	0.7
133.10123	1.2
135.11690	0.7
136.06192	0.9
137.06042	0.5
141.06998	1.3
143.08531	0.8
144.05687	1.3
145.02739	1.6
145.06494	1.3
147.04436	0.5
149.05952	0.5
149.13268	0.8
153.05559	0.4
153.06892	0.4
155.06090	0.4
157.06509	1.9
158.07220	0.4
159.08054	8.1
160.08607	0.6
161.02931	0.6
161.06018	0.6
161.09659	2.2
163.03857	0.5
163.07616	0.4
167.07033	2.0
169.07619	0.5
170.07237	0.8
171.08049	2.2
172.05246	0.6
173.05942	1.0
173.09563	0.7
174.06744	0.6
175.07588	0.8
175.14777	1.1
177.05502	4.1
178.06181	0.5
181.04984	0.4
187.07532	7.0
188.08380	0.4
189.05550	0.5
189.09082	3.7
191.07074	0.8
192.07848	0.5
193.06465	0.4
193.15930	0.5
198.06700	0.5
199.07585	0.9
201.09030	0.7
203.06978	1.0
204.07848	3.9
205.08536	0.8
207.10216	0.5
209.08034	0.6
216.07820	1.2
218.09424	0.5
219.10248	2.4
221.11725	1.2
227.09245	0.5
231.10196	2.5
233.11700	4.7
237.11220	0.9
249.11232	100.0
250.11533	1.5
251.12717	0.6
267.09622	0.5
267.12314	5.5
359.15695	0.4
366.12262	0.4
391.40317	0.3
419.17535	0.5
479.19733	0.9
496.10391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03938	2.9
55.01873	10.7
55.05510	35.7
57.03442	3.9
57.07071	2.0
59.04993	1.5
65.03943	3.3
67.05506	38.3
69.03429	4.6
69.07069	12.3
69.07442	0.8
71.04992	4.1
77.03934	1.1
79.05494	40.8
81.03423	12.5
81.07057	81.6
83.04980	13.6
83.08131	1.0
83.08623	18.6
83.09115	1.1
85.02905	2.1
85.06548	2.2
91.05481	33.4
93.03421	0.7
93.07045	30.5
95.04971	27.1
95.08608	17.5
95.09233	0.7
97.02892	1.2
97.06524	5.9
97.10172	22.3
98.21518	0.9
99.04453	1.5
99.08089	1.3
103.05469	2.6
105.03414	0.8
105.04535	1.0
105.07032	29.5
107.04959	18.1
107.08599	24.6
109.02881	0.8
109.06525	17.6
109.10153	13.4
111.04447	11.1
111.08079	7.6
113.06030	0.7
115.05464	3.8
116.06274	0.9
117.07017	16.9
119.04958	2.6
119.08582	34.4
120.05653	0.6
121.06496	13.3
121.10144	12.7
123.04436	1.6
123.08073	17.2
123.11700	2.1
125.05990	1.4
125.09630	20.5
125.10551	1.0
128.06204	3.9
129.07011	11.1
130.07791	1.5
131.04927	1.6
131.08568	18.2
132.05693	1.2
133.06517	7.1
133.10127	13.1
135.04466	0.7
135.08041	9.5
135.11684	8.9
137.05968	0.7
137.09612	5.0
139.07515	0.6
139.11159	1.4
141.06958	2.5
142.07779	2.3
143.08557	11.7
143.10503	0.7
144.09401	0.8
145.06496	5.5
145.10120	20.7
146.07234	1.3
147.04439	1.0
147.08058	19.2
147.11693	6.3
149.09622	9.4
149.13292	1.2
151.07576	1.4
151.11195	1.4
153.07043	0.9
153.09100	5.4
153.12744	4.7
154.07846	0.7
154.91922	0.5
155.08563	4.4
156.09343	1.0
157.06483	1.4
157.10124	9.7
159.08049	7.3
159.11693	8.0
160.08859	0.7
161.09622	25.2
161.13287	1.6
163.11188	17.6
165.07036	0.8
165.09117	8.1
165.12834	0.8
167.08589	1.6
169.06456	0.7
169.10097	3.8
171.08057	1.7
171.10248	1.2
171.11710	6.4
173.09645	6.0
173.11789	1.2
173.13181	2.9
175.11200	6.8
175.14832	0.7
177.09122	1.4
177.12744	3.5
179.08498	0.7
179.10681	1.1
181.10234	1.1
181.12250	7.1
183.08215	0.7
183.10249	0.6
183.11684	2.9
185.09654	2.2
185.13217	4.1
187.11208	3.1
187.14780	0.9
189.09338	1.2
189.11224	18.4
189.12761	3.1
191.10648	7.0
191.14401	1.0
193.10364	1.0
193.12270	2.7
195.11710	3.1
197.13257	1.6
199.11165	2.4
199.12958	0.6
199.14871	1.0
201.12846	1.7
203.10657	0.8
203.14294	2.8
205.12236	3.0
207.11830	0.9
207.13742	1.1
209.11758	2.2
209.13445	1.1
211.11188	0.6
211.14868	1.4
212.12012	0.6
213.12820	1.1
213.16359	1.3
215.14346	1.1
217.15968	0.7
219.13797	1.2
221.11768	0.7
221.15375	6.6
223.11139	1.1
223.13200	8.1
225.16518	0.8
227.12729	8.4
227.14568	0.8
227.17854	2.8
229.15977	0.6
231.13837	1.0
231.17519	1.2
233.15335	1.3
235.13194	0.9
237.16443	2.0
245.19055	7.4
247.16920	1.2
249.14777	3.2
255.17450	6.8
263.20181	1.2
271.16931	2.0
273.18491	100.0
274.18842	1.2
275.20074	3.4
285.18619	0.6
287.20129	1.0
289.18060	3.0
290.18738	0.5
291.19543	86.2
292.19977	1.2
293.20932	1.0
299.20004	0.8
301.21445	0.9
303.19635	0.6
307.19113	1.1
309.20639	4.9
311.19965	0.9
325.21881	0.7
327.19385	0.9
341.20978	0.6
357.24295	0.9
371.25864	1.8
375.26581	0.7
377.25052	0.8
391.26300	1.2
393.27835	1.7
395.25961	1.0
411.28824	1.2
413.26712	1.7
425.26978	1.8
427.28375	1.4
443.27908	1.5
453.30231	1.1
455.31537	0.7
457.29004	0.8
465.30203	1.0
471.31216	1.4
483.30939	0.6
495.30542	0.6
527.34894	1.4
545.36371	3.6
563.37238	7.5
581.38422	10.9
599.39752	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	598.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01876	11.0
55.05504	5.6
57.03450	2.2
57.07083	25.3
67.05510	11.2
69.03429	18.7
69.07070	5.6
69.35170	4.0
69.35584	14.8
70.06594	1.8
71.04993	6.1
71.08642	15.8
71.74426	1.4
73.02917	5.4
79.05505	2.5
81.03424	21.7
81.07066	12.2
81.93836	1.5
83.08615	7.4
84.04522	16.5
85.02903	11.7
85.10191	10.4
87.04427	1.6
88.07631	3.9
91.05470	3.1
92.49087	1.5
93.07060	5.6
95.04982	3.7
95.08620	20.1
96.03338	1.6
97.02903	30.9
97.10167	3.9
97.44321	1.8
99.04461	48.9
99.05106	2.9
101.02430	1.9
102.09190	3.0
105.03410	2.6
105.07055	3.6
107.08617	2.2
109.02882	41.2
109.10155	7.5
117.07051	2.6
119.08575	2.6
121.10152	2.7
123.11705	3.3
127.03926	100.0
145.04971	15.1
149.02348	2.1
149.05998	11.8
149.09772	1.6
167.10689	2.3
179.82715	1.5
193.04929	3.0
239.23775	18.8
257.24826	1.8
259.15109	1.7
284.29541	6.3
293.21198	2.6
313.27518	5.0
335.25912	3.8
341.10248	10.0
383.27936	33.4
401.29022	59.9
430.19949	1.9
598.36359	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	599.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.1
55.01870	11.7
55.05265	2.0
55.05512	35.3
57.03429	3.4
57.07066	2.2
59.05005	1.4
65.03936	2.5
67.05504	39.8
69.03432	6.2
69.07069	17.1
69.35873	11.4
71.04983	3.6
71.08582	1.3
79.05492	40.8
81.03413	10.9
81.07056	59.5
81.42206	1.3
83.04986	12.4
83.08624	22.2
85.02908	2.2
85.06544	3.5
91.05479	40.1
93.07042	36.2
95.04967	21.7
95.08607	20.1
97.02870	1.6
97.06528	8.3
97.10164	22.2
99.04465	1.6
103.05473	1.1
105.07028	34.5
107.04951	22.9
107.08598	27.6
109.06522	15.9
109.10159	12.4
111.04447	5.3
111.08051	5.3
113.09634	1.4
115.05451	4.3
117.07023	19.2
119.04976	3.0
119.08582	33.7
121.06487	12.6
121.10140	16.5
123.08084	12.5
123.11693	1.8
125.06013	1.3
125.09634	20.1
125.73618	1.2
128.06218	4.0
129.07030	11.9
130.07805	3.1
131.04956	1.8
131.08562	20.4
132.05685	1.4
133.06483	12.4
133.10138	13.0
134.07307	1.3
135.08037	9.5
135.11693	6.2
137.09631	4.9
139.11201	2.0
141.06981	2.7
142.07738	3.1
143.08574	12.2
145.06499	4.9
145.10115	23.7
146.07323	2.1
147.08052	19.5
147.11691	7.3
149.09628	13.1
149.13179	1.8
151.07507	1.9
151.11238	1.3
153.09093	5.0
153.12721	2.8
155.08545	4.3
155.10683	1.8
156.09326	1.7
157.06471	1.6
157.10130	10.6
159.08069	4.4
159.11685	10.1
161.09631	14.8
161.13326	3.4
162.10417	1.5
163.07472	1.6
163.11189	13.0
165.09142	4.2
165.12790	1.4
167.08603	1.2
167.10735	3.4
169.10075	6.2
171.08066	1.8
171.11697	8.8
173.09601	6.2
173.13315	3.4
175.11183	12.9
177.12744	2.7
181.10155	2.4
181.12224	2.6
183.11760	4.6
185.09636	2.7
185.13289	5.0
187.07530	1.2
187.11182	3.7
187.14815	1.7
189.09454	1.9
189.11221	13.4
189.12808	3.2
191.10698	4.3
193.10318	1.4
193.12292	4.7
194.10963	1.7
195.11749	3.1
197.13300	2.9
199.11162	2.1
199.14906	1.7
203.10582	1.6
203.14383	1.6
205.12224	2.8
207.11685	1.8
209.13359	1.9
213.12697	2.5
213.16385	1.4
217.15881	1.2
221.15372	2.1
223.13196	6.8
227.12811	3.6
227.17963	3.0
231.13844	1.3
233.15381	2.6
237.16487	2.3
239.18216	1.3
245.18991	7.3
247.17094	1.4
249.14967	4.0
255.17424	8.0
257.19022	1.8
263.20053	2.1
269.19043	1.3
271.17065	1.8
273.18494	80.2
275.20038	11.8
277.19601	1.4
289.18079	7.7
291.19540	100.0
294.18979	1.4
299.20087	1.9
309.20773	3.2
327.19629	1.8
345.20337	1.2
393.28018	2.1
411.28934	3.6
418.01962	1.3
543.20001	1.3
545.36145	2.6
563.37573	4.6
564.77771	1.1
581.38379	20.5
599.39484	88.0
600.40094	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	598.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05518	1.3
59.57124	0.6
60.04520	2.3
67.05502	1.9
69.03451	1.5
69.07064	2.0
69.37909	0.5
70.02965	0.8
70.06599	0.7
70.93750	1.4
71.01336	0.6
71.06124	0.6
71.08617	0.8
72.04517	1.0
75.05595	1.3
79.05484	1.4
81.03393	0.8
81.07065	2.9
83.08619	0.6
85.02924	1.3
86.09709	100.0
87.04488	0.6
91.05491	1.3
93.07056	1.7
95.08618	1.7
97.02868	1.3
97.06542	1.0
97.10165	0.7
97.84978	0.5
98.09698	8.9
99.05589	2.4
99.08102	0.6
105.07034	0.8
107.08594	1.8
109.10164	1.5
115.05059	1.0
116.03486	0.6
117.06645	2.3
119.04926	0.5
121.02882	0.9
121.10164	1.3
126.09171	1.5
127.05049	7.3
127.12357	1.1
128.10693	0.7
129.06638	1.0
133.06465	0.8
133.10117	0.9
135.08145	0.6
135.11714	1.1
136.13806	0.6
137.05997	1.5
138.06644	0.6
139.04068	0.9
139.04994	3.8
143.11803	16.5
144.07689	1.0
144.10220	0.6
145.06085	5.0
147.04410	1.1
151.03853	0.7
151.07549	0.8
153.10266	1.0
154.15901	5.5
155.11812	3.0
156.07697	3.3
157.06088	1.1
159.08150	0.6
162.08765	0.8
163.07513	0.7
167.07033	2.1
167.11803	3.8
168.07635	0.7
171.11292	9.4
175.04027	0.5
177.05486	0.8
177.16457	1.0
181.04996	0.9
183.11317	3.7
184.07182	7.7
185.12874	6.5
186.01445	0.5
191.07085	0.8
191.18028	1.2
195.11298	6.7
196.07225	0.6
199.18039	1.3
201.09911	1.2
202.08171	3.2
207.06569	2.1
209.18921	0.6
211.18065	22.0
212.13948	1.5
213.10318	0.9
213.12392	5.0
221.16452	0.7
222.12402	1.0
224.13937	1.9
227.17630	1.2
228.13469	2.9
230.15132	0.7
239.15425	1.1
239.17554	9.1
240.13457	3.4
241.09360	2.0
251.20029	0.6
252.13461	9.7
258.14542	2.6
259.10535	1.2
266.18759	1.0
268.12891	0.6
269.16046	5.0
269.21237	1.4
270.14487	6.8
279.14612	0.8
284.19809	1.5
287.17102	3.2
287.22256	0.7
296.19766	2.5
297.15549	2.9
301.03711	0.6
301.06903	0.8
302.04318	1.5
309.15656	1.4
315.08698	0.8
315.16724	3.6
317.06567	3.9
326.17886	2.7
327.16754	1.0
332.19354	0.8
336.16278	0.6
337.22546	1.4
341.21869	2.0
343.23541	0.6
344.19220	0.8
352.25995	0.8
353.21875	1.0
354.17883	2.1
355.23456	2.6
365.21881	0.9
372.18768	1.4
383.22876	6.5
400.25571	2.5
409.28204	1.6
410.24017	3.2
418.34283	0.6
422.24127	1.5
426.30832	1.1
428.25024	3.4
439.26859	1.3
440.25095	3.4
449.25031	2.0
454.30276	1.3
457.27786	5.4
467.26175	12.6
480.00116	0.7
485.27191	11.6
496.31192	5.6
511.32455	0.7
523.32361	1.6
525.34222	1.3
534.34106	1.1
535.31989	0.9
541.32635	1.0
544.32477	0.7
552.35052	4.2
553.33502	4.1
562.33533	7.8
570.36163	20.0
580.34546	32.7
581.34857	0.7
598.35638	10.1
599.28424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3039
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.90147	0.4
52.32259	0.5
53.03936	1.5
55.01873	0.7
55.05518	10.1
57.03446	6.4
57.07071	2.1
65.03946	1.3
67.05509	25.5
69.03411	0.8
69.07074	14.2
69.39928	3.8
71.05008	0.6
79.05499	6.9
81.03436	3.7
81.07064	26.2
83.04967	1.2
83.08627	7.0
85.02910	0.9
85.06540	1.2
91.05481	5.7
93.07061	6.7
95.04945	1.0
95.08612	19.3
97.06533	1.8
97.10190	3.3
98.21467	0.9
98.98473	9.6
99.04463	0.6
99.08086	0.8
105.07034	4.4
107.08595	3.6
109.02888	3.9
109.10166	7.4
111.08063	0.9
112.40250	0.5
113.09653	0.5
119.08592	2.8
119.11111	0.5
121.03096	0.5
121.10143	3.2
123.08110	0.9
123.11704	2.5
125.09616	0.5
127.03844	0.8
131.08591	0.7
133.10089	3.6
135.11696	2.0
136.52234	0.5
137.13269	0.9
147.11671	1.6
147.89597	0.4
151.14856	0.7
155.01050	2.8
161.13242	1.1
163.06006	0.6
163.14838	0.8
175.14838	1.0
245.22485	1.1
261.03659	3.2
263.23795	1.9
301.20251	0.8
317.06396	0.6
335.07330	1.3
337.27386	100.0
338.27713	1.2
373.18582	0.5
435.27432	0.8
512.13068	0.6
536.31964	0.6
597.39557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1817
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.01866	7.4
57.03432	7.8
69.03429	9.4
69.07099	3.3
70.32314	10.1
71.04989	4.1
81.03416	9.3
85.02912	34.2
91.05470	5.8
93.03413	10.1
95.04968	8.0
97.02907	15.1
103.03941	4.3
105.07047	6.9
107.04942	24.4
107.38911	3.1
109.02890	16.5
109.06507	3.5
111.04472	8.8
119.04935	8.7
121.02864	22.5
121.06524	5.5
123.04420	12.9
123.74313	3.5
127.03890	7.3
131.04974	7.1
133.06522	5.1
135.04482	18.9
137.06052	5.0
139.03920	11.4
147.04411	19.3
149.05998	6.5
151.03882	10.8
153.01839	4.3
159.04382	10.3
161.02402	4.1
161.06087	8.2
163.03918	12.4
165.01813	8.2
167.03357	4.4
173.02420	4.3
173.06046	6.8
175.00322	4.5
175.03947	5.3
177.01880	15.6
177.05472	10.3
183.02940	8.3
186.03387	3.6
187.03905	7.1
187.10878	3.6
189.01872	19.2
189.05515	5.5
191.03476	16.8
193.01430	5.2
195.02907	37.7
201.05438	12.0
203.03404	10.5
205.01338	8.5
205.05025	5.7
207.02911	44.0
209.04320	5.3
215.03384	15.4
217.04832	5.4
219.02913	91.4
221.04390	9.5
223.02435	15.5
225.03914	29.6
227.03331	5.7
229.04898	16.5
231.02885	45.1
231.06509	4.7
233.04428	26.3
237.03981	26.8
239.03401	3.8
241.04973	5.0
243.02879	32.4
243.06563	4.9
245.04488	11.2
247.06114	7.3
249.03943	28.0
253.05084	3.9
255.02939	7.4
257.04471	17.1
261.03952	100.0
269.04437	6.1
271.05997	9.5
273.03973	43.2
275.05566	5.5
285.04041	46.3
285.07227	5.5
291.04944	26.4
293.09033	6.2
297.03897	18.9
297.07578	12.6
299.05502	10.2
303.05023	38.0
309.03967	5.9
309.07849	6.5
315.05099	14.5
315.08423	4.1
321.06009	24.5
327.04999	51.1
327.08673	23.0
328.05490	4.1
339.08063	34.4
345.06265	19.9
351.08536	19.6
357.05942	9.0
357.09818	7.9
363.07007	40.4
369.05835	6.0
371.68878	3.9
375.07156	11.5
381.09692	42.4
387.07071	12.9
393.09503	35.2
405.08331	47.0
411.10544	13.3
417.09445	8.2
423.10034	28.0
429.11975	36.2
441.11206	39.5
447.10892	30.8
459.12839	36.2
465.11569	9.3
477.11984	7.3
483.12848	21.6
495.12912	19.5
507.12833	7.3
525.13751	15.9
543.15118	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	597.1451
Annotation	Myricetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
52.78259	0.5
53.03942	0.8
55.01875	1.0
55.05503	1.5
56.96549	0.6
57.03438	19.9
59.05016	0.9
59.06108	0.6
59.18403	0.5
61.02927	5.7
65.14259	0.5
67.05515	0.6
68.99793	0.9
69.03433	20.4
69.03809	1.3
70.94549	0.9
70.94894	1.1
71.01337	2.6
71.04997	20.1
73.02919	38.9
75.04470	1.7
79.05499	0.8
81.03405	2.4
83.04977	11.5
85.02906	37.5
85.07185	1.1
85.07667	17.5
87.04464	2.2
88.04742	0.6
95.04979	1.4
97.02893	26.2
99.04452	0.8
100.11243	1.9
103.03951	1.3
107.04939	1.1
109.02871	1.7
111.00817	1.5
111.04450	8.6
113.02317	0.9
113.06021	0.9
115.03932	14.0
121.02882	1.5
121.06558	0.9
123.04373	0.8
125.02348	0.6
127.03902	1.8
129.05482	12.6
133.04941	2.8
133.06483	0.7
135.04425	1.2
137.02304	2.8
137.05937	0.9
139.03885	1.7
143.03409	1.1
144.11328	0.9
145.04904	0.8
145.09741	3.3
147.04498	0.6
147.06535	6.3
149.02296	0.7
149.05884	0.5
151.03880	1.1
153.01825	16.6
153.05499	0.8
157.04958	0.8
161.02354	0.9
161.05899	0.5
163.03926	1.2
165.01831	3.4
165.05383	0.6
167.03445	0.8
167.06996	0.8
171.06587	0.8
177.01933	0.8
177.05386	0.8
179.03427	3.1
179.04756	0.5
179.07011	0.6
182.15340	0.6
183.02892	2.3
183.06517	0.6
187.07912	0.6
191.03412	0.7
195.02838	1.9
201.05521	1.0
203.03398	1.4
205.04970	0.7
207.03065	0.7
210.14935	0.8
213.05539	1.0
217.04977	2.6
219.02921	1.2
225.07574	5.5
229.04913	1.1
233.04424	0.6
241.04897	1.2
243.08629	1.5
245.04442	4.6
246.15025	1.5
259.06259	0.8
261.09650	0.9
263.05530	0.7
269.04468	1.1
273.03891	3.9
287.05502	3.4
288.05887	0.9
290.04236	1.2
297.03906	1.6
301.03482	2.4
303.05029	2.2
315.05045	4.5
318.03564	2.3
319.04489	100.0
320.05008	0.7
324.11429	0.8
324.61508	0.9
325.03452	0.9
329.02905	2.3
331.04486	25.7
332.05197	2.5
333.05685	0.8
343.04474	10.2
345.06024	1.5
349.13113	0.9
349.63260	1.0
355.04303	0.9
357.05896	4.7
361.05548	63.1
362.06152	0.9
365.06229	0.8
369.06134	2.4
371.03891	1.0
373.05475	2.4
383.07544	3.5
385.05560	13.7
387.07303	0.7
389.04828	0.8
391.06580	0.6
411.07132	9.6
429.08218	21.6
435.33002	0.8
447.09198	14.6
453.34436	7.3
465.10309	34.3
493.09818	1.6
597.14459	11.7
597.23956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01875	11.2
55.05272	1.3
55.05514	18.7
57.03188	1.4
57.03443	20.0
59.05006	1.8
61.02924	7.9
65.03931	3.0
67.05508	45.0
69.03436	12.0
69.07069	33.7
70.04202	1.4
70.06584	2.4
70.20655	5.1
71.01349	5.4
71.05000	19.7
73.02929	9.2
77.92155	1.1
79.05062	2.6
79.05499	37.0
80.06269	2.5
81.03417	18.1
81.07064	48.5
83.04986	10.7
83.08628	8.8
84.02089	1.6
85.02906	12.8
85.06533	5.1
91.03955	3.5
91.05484	35.1
93.07047	35.3
94.04195	1.3
95.04971	22.3
95.08604	16.9
96.05723	2.0
97.02893	13.2
97.06537	35.7
97.10180	7.0
99.04450	1.8
99.08093	2.7
101.06026	1.6
103.03960	1.3
103.05441	1.9
105.04549	1.3
105.07037	18.3
107.04980	10.1
107.08594	15.1
109.02867	4.5
109.06544	14.6
109.10162	15.5
111.04427	2.5
111.08101	7.7
115.07584	19.3
115.68127	1.3
116.04728	9.3
117.07021	7.8
119.04926	1.5
119.08574	14.4
121.06532	6.1
121.10166	8.4
123.04427	4.7
123.08084	6.6
123.11689	3.0
123.87038	1.4
125.09603	4.4
127.03924	4.4
129.05499	27.4
129.06982	4.6
131.04926	2.3
131.07068	2.9
131.08577	9.2
133.06512	4.3
133.10143	12.1
135.08061	7.2
135.11742	6.6
137.05977	4.5
137.09637	7.1
139.07545	5.6
143.07045	8.9
143.08537	2.4
145.04993	1.2
145.06464	2.2
145.10141	6.6
147.04408	2.7
147.08034	4.3
147.11703	4.3
149.09630	4.9
149.13232	5.4
151.11171	3.1
153.09064	2.1
155.10643	1.8
157.08606	9.3
157.10104	4.5
159.11705	5.0
161.09615	4.1
161.13298	1.8
163.11252	2.6
165.12708	2.1
166.37680	1.4
167.07014	4.6
171.10199	4.2
171.11520	1.3
173.09644	2.2
173.11847	1.7
173.13336	1.6
175.11194	3.6
177.05434	2.2
177.12746	5.2
181.04912	2.4
184.07289	2.0
185.11710	2.7
187.11087	1.4
187.13271	3.3
189.09143	1.4
189.11162	3.1
189.12788	2.2
191.07040	2.4
193.12268	4.2
194.13046	1.8
195.13803	3.6
197.11818	2.7
207.06416	1.4
221.11742	4.9
223.13242	1.4
227.12645	1.5
229.14388	4.6
235.35449	1.2
239.12735	3.3
243.15891	8.7
245.19044	2.2
249.14789	1.5
261.18387	1.6
267.15805	1.2
268.16721	25.2
269.17502	19.4
270.17865	1.5
273.18564	9.0
285.12463	1.6
289.17990	2.3
291.19534	3.0
308.09894	1.4
312.07562	1.3
313.16562	1.5
347.22162	2.8
365.23242	18.1
383.24222	1.4
399.23819	100.0
400.23975	3.7
447.17648	2.3
596.30847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14808	1.9
53.03950	2.3
55.05513	11.8
55.25095	1.9
57.03429	7.1
67.05501	32.2
69.07069	9.1
70.29739	2.6
70.30142	5.0
72.06357	1.9
79.05489	24.4
81.03407	5.7
81.07056	34.4
82.57162	1.8
83.04988	3.2
83.08621	5.9
89.06573	2.1
91.05467	11.4
93.07040	22.5
95.04972	3.6
95.08614	23.7
98.98456	11.4
105.07043	8.0
107.08589	13.4
109.02873	5.4
109.10168	11.5
117.06982	2.2
119.08556	6.3
121.10154	11.8
123.11726	2.1
125.09670	1.8
131.08536	4.1
133.10126	4.2
135.11711	7.1
145.10080	4.2
147.04317	2.1
147.11702	2.4
161.13164	2.7
165.12981	2.0
181.12352	2.0
261.03757	4.4
261.22058	4.1
277.21689	3.4
291.19641	4.3
335.25793	100.0
456.51477	1.9
577.36780	2.9
597.93518	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01878	8.2
55.05512	51.4
57.03439	22.0
57.07079	1.4
57.39854	1.1
59.05006	8.6
61.02943	5.4
64.66838	0.9
65.03941	2.1
67.05507	100.0
69.03428	5.1
69.07070	13.9
71.01348	3.1
71.04998	4.6
71.61214	1.6
73.02914	4.4
75.04488	2.8
79.05501	26.2
81.03426	13.9
81.07062	32.4
81.07520	2.1
83.01341	1.5
83.04983	12.9
83.08622	24.7
85.02910	24.2
85.06544	3.3
87.04472	11.4
90.09562	1.1
91.05484	12.7
93.07040	14.1
95.04977	7.4
95.08610	16.1
97.02885	8.4
97.06543	5.9
97.10173	40.0
99.04468	2.5
99.08083	1.3
103.03947	15.6
105.07043	5.7
107.04956	6.5
107.08602	19.4
109.02877	1.4
109.06531	2.6
109.10161	86.4
111.04448	4.3
111.08082	5.3
112.08373	0.9
113.06034	1.8
117.07055	3.3
119.08582	12.0
121.06590	1.2
121.10143	6.5
123.04427	1.1
123.08086	3.1
125.09634	46.6
127.03957	1.4
129.05450	1.3
129.06975	2.1
131.08574	2.5
133.10101	2.1
135.08052	1.8
135.11720	8.6
137.09616	5.0
143.08594	1.2
143.10687	10.4
145.10149	6.9
147.11673	1.3
149.09628	1.8
153.12761	12.0
155.08601	1.3
155.10643	6.4
157.10088	2.1
159.06592	1.3
160.86568	1.1
163.11180	18.2
163.12527	1.4
163.48541	1.0
167.41092	1.1
173.04475	1.9
173.09624	3.1
173.11754	43.1
174.12204	1.2
181.12236	11.3
189.11244	4.7
191.10667	8.6
193.12263	3.1
199.13309	12.3
209.11743	15.1
217.14357	7.1
227.12793	23.3
229.14355	82.5
230.14626	1.5
245.13809	5.4
257.13855	31.1
267.15894	1.5
273.16965	1.4
283.15430	26.3
301.16467	59.9
302.16876	1.8
319.17480	14.5
344.48602	1.2
381.57803	1.1
399.23813	5.2
458.69812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03926	1.1
54.90366	1.0
55.05510	2.2
57.03439	19.7
61.02932	5.1
65.03957	1.3
67.05491	1.5
69.03432	15.7
69.60072	7.8
70.06595	1.4
71.01347	2.5
71.04991	17.0
73.02920	34.8
75.04478	1.8
79.05482	1.7
81.03399	3.2
81.07052	1.5
83.04986	12.8
85.02911	33.9
87.04455	2.1
91.05494	1.6
93.07034	1.6
95.04982	1.6
95.08619	1.3
95.49749	0.9
97.02898	25.4
98.21507	1.7
99.04459	1.0
107.04984	2.0
107.68591	0.9
109.02859	1.4
111.04458	8.2
115.03938	12.6
117.03407	1.0
121.02901	1.7
123.04408	1.6
127.03897	2.7
129.05502	11.7
133.05002	2.3
135.04385	0.8
137.05974	2.2
139.03903	2.0
145.02835	2.2
145.05046	1.1
147.06499	6.5
151.03900	4.1
151.07608	0.9
153.01884	4.4
157.05113	1.0
161.05977	1.2
167.03459	1.0
167.07033	7.4
168.07359	1.5
169.94923	0.9
175.03856	0.9
176.35374	0.9
177.05524	7.0
181.04886	2.2
183.06564	1.2
187.25896	0.9
189.08969	0.9
197.08025	1.0
207.06477	1.5
209.08107	1.2
210.08405	1.7
225.07541	6.6
229.04976	2.7
243.08640	1.8
245.04543	1.7
257.04462	1.4
265.09189	0.9
273.03778	1.6
274.04730	3.0
274.66995	1.0
285.04141	2.5
287.05426	4.2
299.05649	1.1
299.96161	0.9
302.04251	10.7
313.07108	1.1
314.04309	2.5
315.05054	2.6
316.05594	1.5
317.06580	100.0
329.06595	9.4
330.07159	1.7
333.05997	1.1
341.06549	3.9
352.06204	1.1
352.10532	1.1
355.08026	2.4
359.07669	26.6
359.12164	1.5
381.09467	1.7
383.07813	6.7
409.09140	5.1
427.10297	18.8
445.11328	8.0
449.11243	1.4
463.12360	11.4
463.18298	2.0
492.04642	1.3
517.60065	1.1
595.16162	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	595.1659
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
53.03941	1.0
54.31336	0.8
55.05507	1.6
57.03432	5.4
60.26681	0.8
68.99770	1.0
69.03107	1.2
69.03435	8.8
69.07038	0.8
70.06580	2.4
70.86928	2.7
71.04996	30.5
73.02911	2.3
75.04485	2.1
79.44848	0.9
81.03384	2.3
83.04994	4.9
85.02908	51.1
86.09705	1.1
86.42211	0.9
87.04457	1.9
97.02870	4.2
99.04436	1.5
102.79539	0.9
107.04944	1.1
109.02859	1.7
111.04433	3.0
121.02865	12.3
121.67533	0.9
127.03921	3.4
129.05482	15.9
131.59683	0.9
133.02866	1.1
137.02371	1.0
145.04982	3.0
147.04401	1.6
147.06503	6.7
151.03934	1.1
153.01793	4.4
157.06476	0.8
163.77577	0.9
167.07034	5.2
183.02896	1.5
195.02911	1.2
213.05475	1.1
222.46654	0.9
241.04968	1.8
258.05267	1.4
258.97040	0.9
259.06079	1.1
271.06049	1.2
283.06027	4.2
285.03900	0.9
286.04788	3.0
287.05511	100.0
299.02316	1.6
299.05524	18.7
300.06390	6.2
311.05457	8.1
313.06995	2.2
325.07141	4.5
329.06546	50.9
337.07050	1.7
341.06570	1.4
351.08441	2.0
353.06580	12.1
355.08063	1.0
359.07397	1.4
379.08081	6.4
397.09219	20.9
415.10187	10.7
415.19327	1.2
433.11285	27.4
437.98880	0.8
595.26117	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.05489	0.6
57.03434	2.0
61.02921	1.0
64.02779	0.4
67.05498	0.6
67.06721	0.4
68.99813	0.5
69.03415	1.5
70.06585	1.3
70.55138	1.4
71.04996	9.0
72.08142	0.4
72.69340	0.3
72.97340	0.4
73.02914	0.6
74.28442	0.4
75.04494	0.9
79.05527	0.6
81.03422	0.8
81.07034	0.4
83.04992	0.9
85.02908	14.9
87.04469	0.7
95.87447	0.4
97.02916	2.1
99.04527	0.5
107.04987	0.8
107.08553	0.5
108.01967	0.4
109.02854	1.0
111.04440	0.4
116.07089	0.5
121.02881	1.7
121.10209	0.4
127.03902	1.6
129.05498	2.5
137.02321	0.6
137.05928	0.4
138.00996	0.4
139.03922	0.7
145.04971	1.1
147.04442	0.6
147.06503	0.8
153.01837	2.2
165.01819	1.0
172.91624	0.4
177.05516	0.7
181.04976	0.5
191.14420	0.4
213.05496	0.8
231.06541	0.6
258.05096	0.7
287.05508	100.0
288.05881	1.2
317.06641	0.5
364.23944	0.5
370.67438	0.6
449.10651	0.6
533.27203	0.4
595.21912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94291	0.1
53.03947	0.2
57.03434	1.4
57.52173	0.1
59.04994	0.2
61.02926	1.7
64.03146	0.1
68.99811	0.2
69.03428	0.4
70.06582	0.2
71.04995	9.5
71.58333	0.2
73.02907	0.5
75.04470	0.4
79.05480	0.2
80.53513	0.1
81.03408	0.3
83.04975	0.5
83.05744	0.1
85.02907	12.6
87.04483	0.3
91.03953	1.1
97.02884	1.1
101.02289	0.2
105.03397	0.2
107.04922	0.2
109.02859	0.2
111.00810	0.5
111.04446	0.5
121.02873	2.0
127.03911	0.6
129.05489	2.7
133.02861	0.4
135.04425	0.3
137.02344	0.5
139.03857	0.2
145.04993	0.4
145.06474	0.3
147.04391	0.2
147.06519	0.9
153.01830	2.9
157.06464	0.2
165.01872	1.4
167.07002	0.2
171.04453	0.2
181.04979	0.2
183.02921	0.5
185.05991	0.3
189.05563	0.2
200.64328	0.1
213.05484	1.0
231.06624	0.5
241.04945	0.7
245.83099	0.2
249.11205	0.2
258.05203	0.6
259.05948	0.3
269.50140	0.2
287.05502	100.0
288.05853	0.8
299.05594	0.2
323.20090	0.1
329.06528	0.3
355.04755	0.1
449.10892	0.7
594.75037	0.2
594.84467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99479	0.1
53.03942	0.3
55.01865	0.3
55.05511	0.2
56.53190	0.1
56.96574	0.1
57.03438	1.9
59.05006	0.1
61.02930	0.6
68.81632	0.1
68.99803	0.3
69.03436	1.3
69.63502	0.2
69.63911	0.4
71.04995	9.9
73.02921	0.4
75.04476	0.5
79.05491	0.1
81.03419	0.5
83.01353	0.1
83.04985	0.5
85.02908	14.6
87.04475	0.3
91.03957	0.2
95.04943	0.2
97.02894	1.3
99.04459	0.2
105.03362	0.2
107.04980	0.3
109.02894	0.6
111.00803	0.6
111.04459	0.5
115.05484	0.1
119.04942	0.1
121.02875	1.8
121.03860	0.1
123.04613	0.1
127.03930	0.8
129.05482	3.1
133.02852	0.3
135.04417	0.2
137.02354	0.5
137.05963	0.1
145.04968	0.7
145.06511	0.1
147.04411	0.3
147.06560	0.7
153.01831	2.4
157.06487	0.3
165.01828	1.2
171.04434	0.2
183.02901	0.8
185.05978	0.4
189.05495	0.1
197.06085	0.1
198.03778	0.1
203.03537	0.1
203.07018	0.1
213.05467	1.0
231.06453	0.5
241.04936	0.6
248.57387	0.1
258.05237	0.8
259.06042	0.3
269.04456	0.3
287.05499	100.0
288.05820	1.3
425.21255	0.1
429.03558	0.1
449.11075	0.6
595.21991	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41130	1.0
68.99802	6.1
69.03419	1.6
70.06606	1.7
71.59108	1.4
81.03431	3.7
85.02903	2.2
95.04975	2.7
98.97569	1.3
99.04486	1.2
109.02882	4.4
111.00806	7.0
111.04446	1.5
112.79988	1.2
119.04964	1.2
121.02854	1.4
123.03564	1.7
123.04437	27.1
127.03924	100.0
132.04448	5.3
133.02870	1.5
135.04425	2.8
139.03911	54.1
147.04428	11.0
147.48190	1.3
151.03909	22.5
157.06438	1.3
161.05986	1.9
163.03903	5.0
165.05487	5.7
167.03352	4.2
169.60721	1.1
175.03931	14.5
177.05505	4.4
179.03416	32.3
188.69446	1.2
189.05524	2.2
191.03389	8.8
193.05000	3.8
199.03931	1.8
201.05522	4.2
203.03397	21.6
205.05038	1.5
213.05400	4.0
217.04956	3.7
229.04893	3.2
231.06554	3.3
233.04399	3.5
241.04968	3.2
245.04495	7.8
247.06073	2.3
251.05545	1.5
257.04501	10.8
259.06055	3.5
263.05612	6.0
269.04398	4.5
271.06000	2.8
275.05536	22.0
287.05518	48.6
291.08652	14.5
299.05487	13.8
301.07114	1.4
303.08624	1.3
305.06628	10.6
317.06497	9.4
409.09164	5.1
425.08694	12.5
427.10318	4.3
443.09540	6.5
451.09616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16567	0.5
68.58204	0.4
69.28799	3.0
69.29221	2.4
75.82558	0.5
94.63450	0.4
107.18453	0.5
109.50616	0.5
127.31873	0.5
185.85320	0.5
213.07845	0.5
283.57117	0.6
292.90543	0.5
315.30328	0.6
388.16833	1.0
402.18555	1.0
403.18967	3.3
404.19730	1.5
405.20795	1.9
416.20496	1.2
417.21338	4.7
418.21860	2.7
419.22510	4.0
430.17300	0.8
431.18079	8.5
431.23621	1.0
432.18961	1.3
432.23843	1.0
433.24210	8.4
434.24738	1.1
445.20001	11.6
446.20834	5.8
447.21625	5.3
449.23053	0.7
458.64023	0.6
459.21747	3.8
460.22549	12.4
461.23215	10.1
462.24207	1.3
463.21118	0.5
473.23367	2.0
476.25610	1.0
487.24808	0.8
491.24313	0.9
492.25275	0.9
505.21869	3.9
515.24567	0.5
533.25494	41.4
534.25677	3.4
575.26318	0.8
593.27582	100.0
594.27899	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	594.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.05514	5.4
57.03423	0.9
57.07079	1.0
60.04535	0.9
61.02928	1.4
61.65293	0.9
63.19361	0.8
65.03941	1.0
67.05506	9.6
69.03427	4.4
69.07074	8.5
70.06590	1.2
70.91165	2.3
71.04970	2.0
72.08151	1.2
73.02882	1.2
79.05499	8.6
80.85568	0.8
81.03426	1.7
81.07061	36.4
83.04977	1.1
83.08617	2.7
85.02911	13.0
85.06535	0.9
91.05460	7.7
93.07047	31.1
95.04977	2.6
95.08609	47.9
97.02906	4.6
97.06519	2.6
97.10182	1.2
99.04462	1.3
105.07033	25.1
105.24549	0.7
107.04951	1.3
107.08595	39.7
109.02864	1.5
109.06498	3.0
109.10159	20.6
111.08100	4.0
111.11726	6.0
117.07006	1.0
119.08578	34.1
121.06499	3.0
121.10146	13.2
123.08032	1.5
123.11705	2.2
125.06023	5.2
125.09644	2.5
126.61030	0.9
127.03912	3.7
131.08566	3.5
133.10136	33.6
135.08061	1.5
135.11688	38.6
137.05942	0.9
137.09567	1.3
139.07545	9.2
139.11195	0.9
143.08549	2.3
145.04953	3.0
145.10141	3.7
147.04382	1.2
147.08017	0.9
147.11685	24.3
149.13245	3.7
151.11214	1.3
153.09093	3.5
157.10121	3.1
159.11656	2.5
161.09630	3.3
161.13237	8.7
163.03888	1.4
163.06001	1.1
165.09096	1.7
167.07001	1.1
171.11670	1.7
173.13278	6.3
175.11159	2.0
175.14838	7.3
177.05522	2.0
179.10719	7.5
181.05002	0.9
189.16383	100.0
190.16705	1.1
191.17967	1.9
193.12196	2.0
199.14856	6.1
207.17451	1.3
217.15889	38.2
235.16930	39.5
253.18004	3.1
280.68124	0.7
287.05576	1.9
361.09174	1.1
361.19830	1.3
379.21207	7.5
397.22226	2.3
425.18680	0.9
594.27728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.99271	0.8
53.34932	0.7
62.07161	1.0
69.25392	7.3
69.25823	3.3
73.75050	0.8
94.85810	0.8
99.59576	0.8
142.02217	0.9
152.61430	0.9
164.85217	0.8
212.14064	0.8
365.53238	0.9
402.18759	0.8
403.19189	2.3
404.20047	1.2
405.20856	1.6
417.20895	3.5
418.21774	2.4
419.22397	3.3
430.17429	1.4
431.18250	9.2
432.19324	2.6
433.24374	5.5
434.25107	1.5
445.19962	9.2
446.20560	4.4
447.21783	4.5
449.23660	1.1
459.21829	3.8
460.22626	11.3
461.23456	10.2
473.23389	2.1
476.25574	1.8
492.25113	1.3
505.21835	5.7
533.25464	27.5
534.25946	1.9
564.23981	1.3
593.27600	100.0
594.28900	4.1
614.85620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.6
53.09090	1.7
55.01667	1.4
55.01880	14.3
55.05513	29.9
56.21524	1.3
57.03440	7.7
61.02919	4.0
65.03935	2.1
65.19779	1.2
67.05165	2.5
67.05505	34.8
69.03436	22.7
69.07070	15.6
69.94173	7.5
71.05001	8.4
73.02918	15.4
79.05059	2.4
79.05499	30.6
79.51231	1.4
81.02975	2.3
81.03419	23.5
81.07061	32.4
83.04977	18.1
83.08624	26.3
85.02901	20.7
85.06520	1.8
91.05457	21.9
91.05907	1.5
93.07050	32.9
95.04974	56.1
95.08611	19.2
97.02895	7.1
97.06531	5.9
97.10169	10.1
99.04464	15.0
99.08083	2.3
105.07032	24.0
107.04958	10.3
107.08599	28.7
109.02876	25.6
109.06532	8.6
109.10154	13.5
110.03678	3.3
111.04444	34.6
111.08082	5.7
114.10303	2.3
117.07001	10.2
119.08591	17.1
121.06500	6.3
121.10149	17.4
123.04425	1.6
123.08060	4.7
123.11727	2.8
125.09633	13.3
127.03917	13.6
129.06973	3.8
131.08588	15.1
132.99544	9.1
133.06528	1.6
133.10123	14.7
135.08067	6.3
135.11707	10.2
137.05988	2.3
137.09653	4.0
141.06966	2.5
143.08556	3.1
145.06487	2.4
145.10118	22.6
147.08044	4.6
147.11710	11.1
149.09627	26.8
149.13315	1.7
151.00604	2.8
151.07468	1.6
151.11177	3.7
153.09050	2.5
153.12675	2.2
157.10129	4.1
159.11710	11.2
161.09631	3.6
161.13274	4.5
163.11195	26.5
165.12753	4.7
167.07079	1.5
171.10233	2.1
171.11642	2.4
172.99124	1.6
173.09657	3.0
173.11821	2.8
173.13254	4.0
175.11131	2.5
177.12784	5.2
181.12219	2.7
183.11688	2.9
187.11189	3.9
187.14867	2.0
189.09465	1.9
189.11223	18.7
189.12750	3.0
191.00053	8.7
191.10674	1.7
193.12331	1.9
197.13258	1.6
199.33676	1.4
205.12259	6.8
209.01195	2.4
211.13194	1.9
213.16414	1.7
215.17903	2.2
223.13290	62.3
227.12794	4.6
229.19545	5.0
237.14854	1.6
239.18011	5.5
247.20490	2.2
255.94199	1.4
257.19000	14.9
269.17535	3.1
275.20065	100.0
293.21115	76.0
311.22049	4.6
330.07382	3.1
331.22864	2.0
345.09625	5.1
349.23782	22.2
367.24838	28.6
575.25372	17.8
593.26068	23.4
593.34534	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	10.7
62.09439	2.9
63.89428	3.2
67.05514	15.3
69.03425	10.8
69.07059	9.0
69.66267	2.9
71.60184	4.5
73.02905	2.7
73.52013	3.0
79.05485	13.2
81.03410	8.9
81.07083	14.9
83.04987	25.4
85.02906	9.9
91.05406	14.6
93.07054	15.1
95.04953	9.5
95.08587	11.1
97.02909	4.1
97.10148	4.7
105.07059	15.9
107.04967	7.1
107.08601	48.5
109.02921	6.3
109.06523	7.9
109.10136	7.3
110.03696	5.5
111.04427	4.2
117.07035	5.6
119.04975	3.1
119.08575	13.9
121.06499	15.9
121.10121	4.9
123.04416	3.4
125.06013	26.0
125.09615	5.6
127.03925	3.7
127.07528	4.9
129.06987	3.5
131.08580	8.8
133.06540	3.6
133.10092	5.8
135.08060	73.7
135.11678	4.0
137.05963	5.4
139.03815	4.8
145.10132	9.2
147.04370	3.7
147.08002	6.7
153.05476	61.2
154.06216	14.5
159.08028	5.2
159.11659	14.2
161.09587	6.7
161.13258	8.3
163.07556	23.3
167.07031	6.3
173.13202	9.3
177.05537	4.1
177.09106	3.0
177.12880	4.1
184.07364	5.4
185.08104	100.0
187.11192	10.2
189.11195	7.0
201.12770	12.2
203.14299	7.9
205.12216	25.4
209.08237	4.4
219.13799	49.4
221.07939	4.8
227.09109	3.3
227.12701	3.6
229.12195	16.8
247.13330	38.1
257.19003	5.2
265.14398	5.3
275.09088	8.2
275.20038	12.6
293.09991	3.3
299.05661	7.2
300.06287	23.5
301.06216	3.4
315.05057	5.4
315.08627	49.3
331.22754	3.1
349.23776	17.5
367.24936	3.4
387.44684	3.2
391.17239	4.2
405.60983	3.5
575.25427	3.4
593.14764	6.4
593.25220	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	593.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.1
53.03955	5.4
55.01873	13.7
55.05519	13.7
57.03441	8.8
57.07048	1.3
61.02931	2.7
65.03935	2.4
67.05508	37.4
68.99790	1.2
69.03435	25.0
69.07067	24.5
71.05003	7.2
71.60863	1.9
73.02922	22.3
73.69975	1.2
75.04463	1.5
78.88273	1.0
79.05497	31.3
81.03428	18.5
81.07060	76.7
83.04991	10.9
83.08633	13.1
85.02909	17.2
85.06528	3.3
87.04463	1.4
91.05474	29.6
93.03401	1.3
93.07053	27.5
95.04991	12.3
95.08612	28.8
95.35302	1.4
97.02913	10.5
97.06546	11.0
97.10175	3.4
99.04459	11.3
99.08094	3.4
101.06003	1.2
105.07035	29.4
107.04950	8.0
107.08603	18.9
109.02888	28.0
109.06519	22.3
109.10152	12.8
110.03664	4.6
111.04451	23.0
111.08105	4.1
115.05467	2.0
117.07050	7.9
119.08585	25.7
121.05758	1.1
121.06537	5.3
121.10157	13.3
123.08093	9.1
123.11707	9.5
125.09641	2.9
127.03920	12.4
127.07576	1.6
129.07082	2.8
131.08575	15.2
132.99567	11.5
133.06526	2.1
133.10129	18.6
135.08083	6.2
135.11667	8.1
137.05975	2.5
137.09668	5.5
139.11221	2.4
143.08574	2.0
145.06502	1.3
145.10110	12.4
147.04410	1.7
147.08109	1.2
147.11694	25.8
149.09642	9.7
149.13275	9.3
151.00534	2.0
151.11192	3.6
153.09055	1.3
155.08600	1.3
157.10153	4.6
159.08151	1.2
159.11697	12.9
161.09653	2.2
161.13226	5.6
163.11191	8.4
163.14861	1.8
164.98456	1.3
165.12753	10.4
169.10132	1.6
171.11665	3.6
172.99034	1.9
173.13283	6.2
175.11186	3.9
177.12737	5.2
179.14317	2.4
183.11720	1.9
183.13943	1.2
184.07358	3.5
185.13292	1.6
187.11192	2.1
187.14902	1.6
189.12698	1.4
191.00122	10.8
191.14308	1.3
193.12265	4.6
195.13860	3.4
197.13350	2.5
201.12933	1.6
207.13882	2.3
209.01172	2.2
215.18102	1.2
229.14363	2.7
229.19562	3.6
239.18039	3.9
247.20636	4.0
257.19009	9.7
265.03625	1.8
267.15918	1.7
269.17508	2.1
270.84775	1.1
275.20078	100.0
293.21124	42.4
308.44989	1.3
315.05038	2.1
330.07333	4.2
331.08112	2.9
331.22794	1.1
345.09683	12.1
349.23788	40.4
367.24747	29.1
391.24988	2.6
413.23135	3.2
459.27673	1.5
557.24524	1.6
575.25159	15.7
575.33881	1.4
593.26300	33.3
593.35211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13628	0.3
55.05500	0.9
56.96572	0.3
59.04982	0.4
65.03926	0.3
67.05508	0.5
67.73830	0.3
69.03421	1.1
69.07078	0.4
70.04058	0.4
71.04978	0.5
71.58710	0.5
71.59125	0.5
79.05490	0.7
81.03416	1.0
81.07059	1.3
83.04990	2.9
85.02916	1.2
91.05439	0.7
93.07030	1.0
95.04938	0.4
95.08604	0.7
97.02897	0.8
99.04458	0.4
103.05462	0.3
105.07020	0.9
105.78944	0.3
107.08590	0.9
109.02903	0.8
109.06458	0.4
115.50416	0.3
119.08563	0.7
121.06480	0.3
121.10203	0.5
127.03927	0.8
131.08627	0.4
133.06474	0.4
137.05998	0.8
145.05006	0.4
145.10170	0.4
147.04430	0.6
149.02344	0.5
150.82138	0.3
151.03857	1.4
153.01823	1.0
161.06009	1.1
163.03932	0.3
167.05511	0.4
167.06966	0.7
177.05501	0.4
179.03436	0.7
181.04962	0.4
207.06535	0.7
217.05081	0.6
227.09096	0.4
243.06517	0.6
245.04382	2.0
251.05524	0.9
256.03537	0.4
257.04315	0.6
270.05151	0.4
271.05939	0.7
272.06677	0.4
273.03854	2.4
275.20029	0.5
279.15445	0.3
285.03876	0.5
287.05472	1.3
288.06247	1.5
299.05582	0.3
301.03445	7.8
315.04999	7.6
316.05789	32.7
317.06152	0.7
331.08124	100.0
332.08536	1.3
347.07709	0.3
367.24899	0.6
413.12234	0.4
493.12729	0.4
575.17682	5.1
593.18140	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02365	13.9
55.05519	32.9
57.07075	83.6
67.05507	81.7
69.07049	41.3
71.08624	49.4
71.61085	26.1
73.79001	13.4
79.05476	47.3
81.07066	100.0
83.08619	43.8
85.10166	18.0
91.05484	78.0
93.07047	71.5
95.04945	16.0
95.08586	63.7
97.10149	16.8
105.07037	78.5
107.08591	35.6
109.10167	31.7
111.37027	13.1
117.07019	13.6
119.08556	62.9
121.10163	27.4
131.08553	28.1
133.10086	48.8
143.08554	21.5
145.10124	28.8
147.11667	55.6
161.13309	33.0
175.14789	18.2
241.19470	31.9
259.20578	70.9
313.27310	77.0
333.24246	20.4
452.54755	19.0
475.94440	17.3
589.48431	34.6
605.88715	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64627	5.1
55.05508	15.4
57.07083	33.7
63.23728	5.4
67.05505	57.6
68.45979	5.6
69.07058	13.3
71.01887	10.2
71.08626	18.6
79.05495	24.3
81.07057	59.0
83.08610	16.2
85.10177	10.4
91.05469	9.9
93.07044	34.4
95.08604	45.1
105.07038	10.6
105.24890	5.3
107.08597	20.7
109.10177	24.1
119.08650	7.6
119.22453	5.1
121.10156	20.3
123.11732	10.2
131.08557	13.7
133.10127	14.7
135.11757	9.4
145.10164	5.4
147.11664	8.4
149.13271	10.1
155.44221	5.4
159.11678	11.5
163.14848	7.6
187.14760	5.8
204.76433	5.1
239.23724	8.5
243.21201	12.7
261.22171	52.8
313.27371	100.0
317.24805	6.1
335.25879	66.6
573.48883	20.4
591.49280	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	592.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01869	1.6
55.05518	4.1
56.05037	3.1
57.07075	0.9
60.04521	2.1
67.05167	0.8
67.05507	11.4
68.05022	0.8
69.03426	3.8
69.07075	3.4
70.06582	0.8
71.04980	2.4
71.08647	0.7
71.33553	1.0
75.81100	0.6
79.05492	12.0
80.05009	3.0
81.03437	2.5
81.05795	1.7
81.07060	11.5
82.06605	4.0
83.04950	0.6
83.08617	2.6
85.02911	1.8
85.06532	1.1
87.04474	2.6
91.05463	5.3
93.07044	22.0
94.06573	16.6
95.04971	2.6
95.08611	19.8
96.08150	2.6
97.02894	1.0
97.06536	5.6
97.10165	1.6
103.05478	0.9
105.07030	9.1
105.07681	0.8
107.07336	3.3
107.08614	0.8
110.09681	10.4
111.08084	12.7
120.08113	0.9
120.70826	0.6
122.09673	35.4
123.08074	26.2
128.10724	34.3
132.04123	0.6
140.10709	100.0
141.09109	11.2
158.11780	8.4
254.24875	1.1
272.25851	7.1
279.83722	0.6
356.85135	0.6
364.32254	1.3
376.32190	1.3
382.33160	10.0
394.33170	21.4
412.34235	75.1
434.26682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59981	4.2
53.03949	6.4
55.01869	10.0
55.05507	31.8
57.07080	9.3
67.05505	53.4
69.07074	21.9
70.02752	17.6
71.08628	25.2
79.05492	43.1
81.03419	11.3
81.07060	68.2
83.04970	11.0
83.08626	23.9
85.10189	6.6
91.05479	51.1
93.07055	67.2
95.04982	56.8
95.08607	56.2
97.06542	13.1
97.10185	9.1
98.21423	6.0
99.08104	20.0
105.07060	37.3
107.04964	20.8
107.08598	41.2
109.06525	10.6
109.10161	14.8
111.08065	6.4
113.09681	7.4
115.13445	4.4
117.07004	10.4
119.08576	28.9
121.06509	8.6
121.10157	39.1
123.08078	6.4
125.09683	11.0
131.08582	17.4
133.10123	23.5
135.11732	32.3
141.06946	5.4
143.08594	4.9
145.10143	24.2
147.11682	15.1
149.09645	27.0
149.13298	5.5
151.11188	10.5
157.10165	6.5
159.11732	14.1
161.13268	11.9
163.11208	26.6
165.12766	13.2
177.12749	4.7
179.14319	100.0
180.13550	4.5
189.11205	5.6
195.13878	5.1
223.13326	41.6
225.72287	5.2
239.18019	6.0
257.19046	7.0
275.20099	73.4
277.21655	84.0
293.21152	57.0
295.22681	30.9
514.93323	5.4
587.46747	9.5
600.23370	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	588.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16090	0.4
55.05502	1.3
57.61039	0.4
58.82514	0.4
60.08162	6.9
67.05488	1.9
69.07030	0.4
71.07361	3.2
71.60648	0.6
79.05468	1.7
81.07053	2.3
83.04961	0.7
83.08585	0.5
85.02855	0.4
86.09704	30.4
88.14301	0.5
91.05479	1.0
93.07007	0.7
95.04958	0.9
95.08588	1.0
97.10156	0.8
98.98460	2.7
104.10751	3.4
105.07110	0.7
107.04912	0.6
107.08582	1.2
109.06508	0.9
109.10091	0.5
111.08032	0.7
117.07056	0.6
119.08585	1.2
121.10190	0.5
123.08024	0.8
125.00004	19.7
133.10115	0.5
145.10150	0.5
147.04381	0.5
151.09692	0.5
179.14413	0.5
184.07336	100.0
273.18582	0.7
277.21439	0.5
291.19537	2.4
470.19464	0.5
530.21490	0.4
570.35730	1.1
588.36780	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	587.431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18886	2.0
53.03950	5.2
55.01876	11.6
55.05512	56.4
57.03434	3.4
57.07071	6.6
59.04990	3.3
63.95672	2.1
65.03933	2.8
67.05506	60.6
69.03429	5.4
69.06779	2.2
69.07072	25.9
70.01277	4.7
70.01661	9.2
71.04985	6.1
71.08629	5.9
79.05499	59.7
81.03426	5.5
81.06577	4.8
81.07061	96.5
83.04992	16.0
83.08625	41.2
85.02869	3.6
85.06543	5.3
85.10172	5.0
91.05479	55.9
93.07047	56.2
95.04974	47.1
95.08607	41.5
97.06539	7.8
97.10175	43.9
99.08054	3.2
105.07038	58.6
106.07322	2.6
107.04954	8.9
107.08601	38.5
109.06517	17.6
109.10162	22.3
111.04442	9.3
111.08099	11.0
111.47311	2.1
113.09652	5.9
115.05470	2.4
116.63538	1.8
117.07008	21.0
119.08594	54.9
121.06499	7.0
121.10146	22.9
123.08065	11.2
123.11706	5.8
125.09634	32.2
129.07010	13.2
130.07796	2.4
131.08565	32.4
133.10143	35.3
135.08060	8.2
135.11678	18.4
137.09641	6.1
139.11177	2.8
141.07043	3.4
142.07791	2.3
143.08551	11.7
145.10118	30.9
147.08040	8.4
147.11693	39.0
149.09644	11.1
149.13281	8.6
151.11201	4.6
153.09094	19.3
153.12773	5.4
155.08553	4.4
157.10135	12.8
159.11740	15.7
161.09674	5.4
161.13254	23.0
163.11217	18.7
165.12790	5.6
167.10716	2.3
169.10172	5.0
171.08041	4.0
171.10234	4.7
171.11685	12.3
173.09601	4.2
173.13222	14.7
175.14862	9.2
177.12788	5.5
177.16394	3.6
178.00215	2.1
181.10222	2.4
181.12253	5.2
183.11668	6.4
185.13263	11.1
187.11084	3.3
187.14851	7.5
189.11217	36.3
189.12674	2.5
191.10646	6.4
191.14265	2.7
193.12254	2.5
195.11612	2.4
197.13316	3.7
199.14810	6.0
205.12364	3.7
207.11765	2.2
211.14912	4.9
213.16415	2.7
215.17830	2.0
221.13225	3.1
223.13220	18.4
223.14784	2.0
227.12756	7.9
227.18007	2.7
231.21080	5.0
233.15295	2.2
241.19591	16.5
243.21138	4.4
259.20618	37.1
261.22159	7.1
273.18576	7.4
275.20114	40.7
276.20450	3.3
277.21658	23.0
279.23315	4.0
289.21567	3.3
291.19608	32.1
293.21118	100.0
295.22739	4.7
309.20877	2.4
313.21661	3.0
327.23380	2.4
329.37268	2.4
331.22659	3.4
374.80597	2.2
383.29578	2.9
397.30981	8.6
415.31775	10.0
423.32904	3.5
431.32135	2.4
439.32254	2.8
445.33139	4.3
457.32971	3.4
459.34485	4.1
487.33380	2.8
515.38666	4.1
533.39929	9.6
541.42395	4.4
551.40985	21.1
569.42029	39.1
587.42908	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	587.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12465	28.2
55.05499	59.1
67.05496	71.9
69.07059	61.4
71.08626	28.3
71.59222	35.3
71.59576	30.0
71.94669	28.4
79.05510	63.3
81.07056	100.0
83.04988	24.6
83.08598	45.1
85.10183	30.5
90.95332	24.9
91.05467	52.8
93.07030	86.2
95.08624	62.6
97.06548	50.6
105.07032	71.8
107.08656	54.0
109.10190	25.3
109.78975	32.3
119.08590	34.1
131.08609	33.4
133.10063	33.9
145.10065	50.2
147.11740	39.2
147.42633	29.0
163.11154	44.8
163.78722	30.6
165.12807	27.2
169.43526	27.2
179.14337	44.8
184.70366	38.1
229.84883	26.4
232.68993	28.0
275.20059	66.1
277.21542	75.2
308.56052	30.6
358.15781	26.6
445.83987	28.5
587.47241	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	587.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15125	2.9
54.81704	2.9
55.05505	11.0
57.07082	17.1
67.05511	22.7
69.07063	13.3
69.44978	5.7
69.45381	25.7
71.08629	3.5
72.01362	3.5
79.05485	19.6
81.03419	6.1
81.07056	30.9
83.04960	6.8
83.08636	7.7
85.06474	3.5
85.09709	4.8
85.10182	48.1
85.88191	3.1
91.05491	24.4
92.83582	3.6
93.07042	23.4
95.04959	12.8
95.08595	22.5
97.06554	5.7
97.10149	5.6
105.07051	16.0
107.04951	16.7
107.08585	13.4
109.06525	3.0
109.10167	9.5
110.17193	3.1
111.08070	7.9
113.09649	54.2
117.07043	4.7
119.08583	9.1
121.06553	4.3
121.10133	9.7
123.08089	4.5
125.09616	4.1
129.06955	6.1
131.08554	13.1
133.10118	8.2
135.11731	4.0
145.10161	12.6
147.11703	21.9
149.09599	14.0
149.13278	4.8
151.11145	5.2
157.10149	7.4
159.11685	4.9
161.13266	8.6
163.11179	19.1
165.12775	58.5
171.11650	7.2
175.11229	6.5
179.14442	5.0
181.12123	4.7
207.13780	4.0
250.81372	3.1
257.18988	6.3
259.20679	12.7
275.20084	59.1
277.21646	99.3
293.21207	34.6
295.22699	100.0
481.22757	3.1
489.35455	4.8
527.86871	3.8
587.39240	5.5
587.47400	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	586.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20590	1.6
55.05516	5.9
57.07080	37.7
58.58967	1.8
59.05014	2.4
67.05509	4.6
69.07069	5.2
71.08637	34.3
71.59767	2.2
73.06561	5.7
73.52874	2.0
79.05473	3.3
79.61678	1.6
81.07059	5.8
83.08639	5.1
85.10186	28.9
87.04467	6.6
89.06036	100.0
91.05473	5.2
93.07053	6.5
94.07394	1.9
94.88629	1.7
95.04974	2.3
95.08630	3.7
97.06503	2.0
97.10162	3.3
98.44112	2.0
99.11741	3.5
105.07036	3.4
105.12356	1.7
107.07079	5.3
107.08623	3.2
109.06546	3.9
109.10149	4.0
117.07111	2.1
117.09126	6.4
119.08588	3.5
121.10123	3.0
130.08679	4.4
133.08611	57.7
133.10144	3.6
135.11682	2.0
141.16426	2.1
145.10107	3.5
149.09706	2.2
155.17972	4.1
156.09187	1.9
158.45142	1.7
159.11699	2.3
161.11667	2.1
163.11165	1.8
177.11240	28.7
184.07420	2.3
199.20639	4.0
221.13870	5.4
239.14799	2.8
243.23189	12.2
275.20120	6.1
276.20468	5.5
283.17767	3.6
287.25842	5.7
291.19803	2.0
294.21362	2.4
330.27563	1.8
371.22787	8.5
415.25385	6.9
569.42700	12.7
586.44934	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	587.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	16.4
55.05516	43.2
57.03440	5.8
57.07062	7.7
63.11316	3.2
67.05183	3.6
67.05511	55.3
69.07071	26.8
71.03987	8.0
79.05126	4.5
79.05502	52.6
81.03434	7.8
81.06576	5.6
81.07063	100.0
83.04999	18.6
83.08640	27.1
83.53798	3.8
85.02917	4.7
85.06561	4.1
91.05473	29.9
93.07043	58.8
95.04980	20.4
95.08607	30.3
97.03995	3.3
97.06525	5.3
97.10164	28.4
105.07050	27.0
107.08601	46.5
109.06524	15.2
109.10159	22.8
111.04449	23.5
111.08071	9.8
117.07007	15.5
119.08575	27.5
121.06495	6.7
121.10179	27.1
123.08060	26.5
123.11697	5.1
125.05929	3.9
125.09632	33.3
128.96361	4.1
129.07025	7.5
130.85393	3.9
131.08554	22.9
133.06429	4.4
133.10123	13.4
135.08064	8.9
135.11659	14.1
139.11145	3.4
143.08524	9.4
145.10132	24.3
147.08098	10.8
147.11688	10.2
149.09608	5.0
149.13326	6.5
153.09102	11.6
153.12779	11.1
157.10191	8.8
159.11691	13.2
161.09642	5.7
161.13246	7.6
163.11198	17.8
165.09149	8.6
167.25888	3.6
171.11761	4.1
173.09502	4.3
181.12219	14.2
185.13161	4.3
189.11227	24.3
189.12733	6.1
191.10683	10.8
197.13155	4.7
223.13156	4.9
227.12735	12.3
243.21150	5.6
249.14854	5.0
261.22137	24.1
273.18448	29.6
275.20059	7.8
277.21716	8.4
291.19540	99.4
309.20691	9.9
355.46561	3.9
407.32953	3.6
431.31647	5.3
463.50626	4.0
469.87225	3.6
511.62793	3.9
533.39606	6.0
551.40692	13.9
569.42017	15.2
587.43451	12.2
597.77283	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	585.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03994	0.4
55.05514	0.4
56.96563	0.4
58.98466	0.3
61.39222	0.3
63.67316	0.3
65.37589	0.3
67.05492	0.4
69.03400	0.4
70.06591	0.4
70.85699	1.0
78.44803	0.3
81.03402	0.6
81.07056	0.7
83.08671	0.4
85.02915	0.9
91.05484	1.0
93.07035	0.7
95.04966	0.4
97.02889	0.7
98.56673	0.3
103.05464	0.4
105.07041	0.5
107.04955	1.7
109.02909	0.5
112.08688	0.4
121.06517	0.7
121.10136	0.4
123.86283	0.3
127.03887	0.4
133.80565	0.4
134.48778	0.3
137.05934	1.0
146.07101	0.3
147.04390	0.4
151.03937	0.5
163.03862	0.4
163.07678	0.3
167.07068	1.2
184.07336	0.4
194.85619	0.3
203.05324	1.1
203.07111	0.4
216.03702	0.5
217.08347	0.3
249.11111	0.4
259.08020	1.3
289.06897	0.5
331.10007	0.9
349.20026	1.2
359.14981	0.4
413.16129	0.3
423.23270	2.2
457.20496	4.2
471.22061	3.4
497.23325	0.4
585.28815	100.0
586.29120	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.6
57.07080	11.2
67.05504	17.2
69.37564	92.2
69.75828	8.5
79.05483	25.0
81.07056	34.1
82.59085	7.1
86.04362	7.4
89.06034	15.3
91.05489	39.0
93.07046	38.0
95.04961	20.4
95.08629	15.8
105.07024	60.7
107.08609	24.7
117.06989	13.3
119.08598	52.4
121.06506	12.5
121.10117	27.6
123.08083	15.9
131.08582	23.8
133.10112	28.3
135.08076	18.2
135.11717	11.6
142.07759	11.2
143.08574	40.5
145.10150	68.5
147.08040	25.4
147.11638	9.8
149.09618	14.1
151.07599	12.8
155.08565	13.5
157.10117	40.3
159.11707	38.0
163.11139	9.4
165.09117	27.1
169.10175	11.4
170.10886	8.4
171.11725	19.0
173.09628	10.0
173.13350	10.6
175.11356	10.2
181.10144	13.4
183.11745	12.2
185.13281	10.6
195.11742	10.8
197.13293	12.7
203.14299	20.0
209.13231	11.3
221.15419	57.1
263.92905	9.3
274.19196	14.6
308.86047	8.4
325.21506	15.0
352.23953	62.4
365.24786	17.0
366.25540	11.1
385.76013	9.3
504.36057	100.0
584.41809	18.0
584.56110	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	585.288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
57.03422	1.2
67.05507	3.9
69.03410	1.6
69.07061	1.7
70.06583	3.5
71.57905	2.6
75.33270	1.2
79.05491	2.5
81.03442	1.8
81.07077	2.3
83.01107	9.6
83.08623	1.0
84.01897	2.1
85.02910	1.9
91.05502	2.9
93.07062	2.4
95.01099	4.6
96.01881	2.6
97.02704	2.2
105.07055	1.5
107.08589	1.1
109.10167	2.3
110.56077	1.2
119.08608	2.2
133.10231	1.7
137.06024	1.1
139.03720	2.8
156.03972	5.5
157.04744	3.1
167.07056	1.3
184.03441	10.1
184.07368	1.5
185.04242	10.9
201.03726	14.2
203.05281	9.3
207.06592	1.5
223.13092	2.5
241.06937	1.6
257.06253	1.6
259.07907	11.4
269.13736	1.3
331.09958	13.2
349.16882	1.7
359.13150	1.3
373.14612	1.9
401.18091	1.7
404.86072	1.3
431.18936	11.7
445.20834	1.4
457.20517	14.4
499.21521	45.2
567.27673	6.0
585.28546	100.0
586.28259	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	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17916	34.8
70.34119	37.3
71.32071	82.4
81.07057	71.8
82.07417	40.4
82.48749	40.6
84.08746	40.6
91.05453	48.0
93.07024	40.3
95.08607	50.5
103.96623	36.7
105.07026	86.5
107.08618	86.0
109.10184	40.9
121.10150	50.0
122.98244	36.6
123.08117	41.9
143.08556	42.3
145.10107	66.9
188.91577	37.1
221.15524	37.3
352.23599	43.0
492.35724	42.8
584.41986	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.2
55.01886	0.2
55.05511	1.5
56.96566	0.3
57.03433	0.3
57.07071	0.6
59.04981	0.2
61.94572	0.2
62.85194	0.2
63.02396	0.2
67.05509	2.9
69.03433	0.7
69.07076	2.9
69.90981	1.2
71.04990	0.6
71.08647	0.2
77.03951	0.2
79.05505	0.9
81.03414	1.0
81.07063	3.4
83.04971	0.6
83.08626	1.3
85.02908	0.8
85.06536	0.6
86.09705	0.6
89.03915	2.0
91.05493	1.7
93.07036	2.8
95.04969	0.9
95.08604	5.6
97.02894	0.3
97.06532	0.6
97.10176	0.5
98.21413	0.2
105.07024	2.8
107.04966	0.3
107.08595	6.1
109.02913	0.4
109.06532	1.4
109.10159	10.6
111.04425	0.6
111.08082	1.0
113.73424	0.3
117.03381	8.5
117.07086	0.3
119.04951	0.3
119.08590	6.4
121.02931	0.4
121.10146	9.4
121.11034	0.5
123.08068	2.2
123.11707	2.8
123.12561	0.3
124.05149	0.2
124.99960	0.3
125.05986	0.6
125.09631	0.8
127.03836	0.2
131.04936	0.3
131.08569	0.5
133.10135	5.7
134.03653	0.6
135.04446	1.1
135.11696	5.9
137.05954	0.7
137.09612	3.2
137.13213	1.0
145.02849	28.7
145.10185	0.3
147.04457	0.3
147.11688	1.0
149.02351	0.4
149.05983	3.7
149.13260	5.7
151.03889	1.1
151.11186	0.5
151.14803	1.3
153.05505	1.1
155.10666	0.4
161.05951	0.2
163.03931	0.4
165.16418	1.3
167.07040	0.6
169.12199	0.3
175.07568	0.3
175.14844	8.2
177.05470	100.0
178.05826	1.2
181.04893	0.3
184.07368	1.6
186.05457	1.3
187.07600	0.3
189.09113	0.4
191.07059	0.3
193.15889	9.4
194.16223	0.2
195.06543	3.6
195.08221	0.4
203.07042	0.3
211.16986	0.2
219.10110	0.4
220.10312	0.3
238.09790	0.3
240.07922	0.3
253.08554	0.5
253.12239	0.3
283.09598	0.2
284.10367	0.3
299.12668	0.3
301.12933	0.7
313.10620	0.3
321.09616	0.8
327.12225	1.1
339.10767	4.5
351.19559	0.3
359.10675	0.3
359.14917	5.5
369.20596	0.6
371.14453	0.2
387.21606	0.6
572.12823	0.2
585.28973	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	584.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47341	0.6
55.01857	1.0
56.17632	0.8
57.03416	0.9
61.89227	0.7
65.03938	0.8
67.05525	1.8
69.03418	1.7
69.07047	1.0
69.73115	2.2
69.73546	2.6
70.06580	1.4
73.02921	1.0
75.07835	0.8
78.04699	1.8
79.05490	3.3
81.03403	2.1
81.07056	3.1
83.08624	0.7
85.02905	5.7
89.03918	1.2
91.05475	2.8
93.07050	1.8
95.04961	2.1
95.08597	1.9
97.02885	2.2
98.21587	0.8
103.05473	5.7
105.07030	7.0
106.04178	1.2
107.04961	10.1
107.08590	1.8
107.52737	0.7
109.02896	0.8
109.10156	3.1
115.05433	1.8
117.03394	2.1
117.07008	1.2
118.68091	0.6
119.04961	1.3
119.08590	1.6
121.06490	2.6
121.10151	2.2
123.04427	4.5
123.08095	1.4
123.11678	1.0
124.05212	2.6
125.05994	0.8
127.03925	1.8
131.04922	9.4
132.05629	0.9
133.06496	8.2
133.10127	1.3
135.08055	2.3
135.11711	1.8
137.05983	5.4
145.02853	7.7
145.04890	1.0
145.06509	2.8
147.04436	3.3
149.05965	2.4
149.13277	0.9
151.03899	1.1
151.07532	2.6
152.04681	1.0
153.05481	1.0
158.07277	1.1
160.05228	1.1
161.06006	9.4
163.03923	0.8
163.07545	17.9
167.07045	100.0
173.05972	1.7
175.03877	1.0
175.07539	1.8
175.14815	2.0
177.05470	27.8
177.09148	3.2
179.07069	4.4
180.08698	2.1
181.08678	3.4
187.07555	1.6
191.07120	1.2
192.07904	1.1
193.08609	22.6
193.15855	2.1
195.10239	1.4
201.09201	0.8
205.08640	1.9
207.06436	1.6
209.04695	1.5
219.10216	3.5
231.08080	0.8
233.11801	1.5
233.20235	0.8
237.04269	1.6
246.98465	0.7
254.04514	4.2
255.05269	4.2
269.84451	0.8
323.12762	1.7
339.10730	1.1
355.15402	10.8
387.13815	0.5
387.18002	13.0
405.19095	58.8
579.11090	0.8
584.28656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01863	0.2
55.05502	0.2
57.03420	0.1
61.02908	0.3
62.65026	0.1
65.03949	0.1
67.05505	0.1
68.79526	0.1
69.03432	0.4
71.60536	0.1
71.60931	0.2
74.54781	0.1
78.04700	0.6
79.05514	0.6
81.03416	0.6
81.07053	0.3
85.02911	1.5
91.05477	0.3
93.07081	0.1
95.04977	0.3
97.02908	0.5
103.05473	0.2
105.03391	0.1
105.07044	1.0
106.04172	0.4
107.04958	1.1
109.02908	0.1
115.05457	0.2
117.06975	0.2
118.26987	0.1
120.88881	0.1
121.06535	0.5
122.03678	0.2
123.04430	1.9
124.05221	1.0
127.03875	0.2
131.04988	0.1
133.06508	0.9
134.03661	0.2
135.04393	0.1
137.05986	0.4
137.40916	0.1
145.06567	0.1
147.04364	0.2
149.05969	0.6
151.03935	0.5
152.04678	0.9
154.06227	0.1
155.06987	0.1
159.60587	0.1
161.05969	0.9
163.07590	0.2
167.07042	100.0
168.07353	0.7
173.05936	0.1
176.52730	0.1
177.05559	0.1
179.06990	0.6
181.04927	0.1
181.08548	1.0
191.07034	0.2
192.07668	0.1
193.08603	5.0
195.10234	0.2
205.08611	0.3
207.10207	0.2
209.07988	0.1
211.09659	18.1
212.10085	0.1
217.08556	0.2
229.89459	0.1
235.09671	0.2
239.09132	0.4
251.09108	0.1
275.09042	0.1
295.11832	0.2
319.11377	0.2
337.12692	0.2
444.38101	0.1
568.73517	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	583.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38861	3.9
53.97329	3.8
55.01850	3.9
55.05519	19.5
56.83896	4.5
57.07084	6.3
60.51450	4.4
66.22387	4.4
66.99493	3.9
67.05505	29.0
69.03450	6.5
69.07059	15.4
69.84750	14.6
69.85150	11.6
71.04997	5.6
79.05493	24.3
80.05907	3.6
80.42571	3.6
81.03419	8.5
81.07060	51.3
83.04998	10.4
83.08626	18.2
91.05493	40.1
93.07056	43.2
95.04977	18.9
95.08627	37.9
97.06528	14.1
97.10182	7.1
98.21436	5.1
99.04458	5.4
105.07033	54.4
107.08601	44.7
109.06537	8.8
109.10144	23.9
113.09668	8.5
117.07028	10.6
119.08585	52.5
121.10156	34.5
123.08080	15.4
123.11768	7.7
125.09672	6.9
128.06198	9.8
129.07053	12.1
130.07860	5.1
131.08574	29.2
133.10139	41.1
135.11713	13.4
137.09627	9.7
139.11139	5.9
141.07050	4.0
142.07788	11.6
143.08578	31.2
144.09334	7.6
145.10133	45.6
147.04416	7.7
147.08090	10.9
147.11688	14.5
149.09656	6.6
149.13306	8.6
151.07555	6.2
155.08568	13.9
155.10625	10.5
156.09389	10.9
157.10135	39.2
159.08066	5.0
159.11714	21.0
161.09671	5.0
161.13327	6.7
163.11240	6.4
165.09106	8.0
167.08577	7.5
167.10683	13.3
169.10138	19.9
170.10876	7.9
171.11699	24.4
172.26433	4.4
173.13284	19.2
175.14928	8.8
179.08604	11.9
179.14363	5.1
181.10139	8.7
181.12244	18.4
182.10934	8.2
183.11707	16.2
185.13289	17.4
187.14854	9.3
191.14278	7.3
193.10123	7.4
194.10910	10.1
195.11694	20.2
196.12440	7.6
197.13326	21.5
199.11003	4.9
199.14853	13.3
201.16385	5.9
203.14330	5.4
207.11708	15.3
207.13756	5.8
208.12517	6.6
209.13269	17.3
211.14819	11.4
212.50926	4.4
213.16295	6.3
217.15833	8.3
219.11746	4.8
221.13356	9.2
221.15401	27.4
223.14859	13.2
225.12761	6.4
225.14867	13.0
233.15355	15.5
235.14796	10.5
237.16403	6.4
239.17952	5.2
245.13263	5.1
249.16409	6.2
251.17920	8.1
257.18924	6.3
259.14752	5.1
260.15665	5.3
261.16461	8.9
263.17935	4.9
265.19745	5.4
273.18774	4.6
275.17850	7.9
277.19550	6.7
291.19492	8.3
295.20517	5.4
297.22128	5.2
345.25760	8.0
349.25162	5.3
349.59167	4.9
415.30212	5.9
491.35596	4.2
532.14606	5.3
565.40527	28.0
583.41473	100.0
594.01971	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	583.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	3.0
53.03940	5.5
55.01870	4.7
55.05510	24.2
57.07079	21.4
59.04997	7.5
65.03931	6.5
67.05503	35.3
69.03435	8.3
69.07076	28.3
69.27572	20.6
69.27981	6.6
70.33558	2.3
71.04993	4.6
71.08630	6.7
79.05502	40.3
81.03416	3.4
81.07065	56.3
83.04984	11.0
83.08632	18.3
85.06561	8.9
85.10175	6.2
89.06042	10.0
90.45663	2.4
91.04898	2.8
91.05486	63.1
93.07048	74.8
95.04971	22.2
95.08613	44.7
97.06531	14.9
97.10189	4.2
103.05460	5.4
103.43186	2.3
105.07035	95.4
107.04970	7.4
107.08593	58.9
107.09294	4.3
109.06532	17.1
109.10159	28.9
111.08078	6.9
115.05447	4.2
117.07013	24.5
119.08587	100.0
121.06520	9.7
121.10141	66.6
123.08084	16.4
123.11719	10.8
125.05999	4.2
125.09641	6.3
128.06213	17.2
129.07034	18.9
130.07822	9.8
131.08569	49.9
133.08603	8.3
133.10133	58.0
135.08089	12.1
135.11723	22.6
137.09648	11.4
139.11223	6.6
141.07005	13.8
142.07796	24.3
143.08565	50.7
144.09358	8.8
145.10127	69.3
147.08087	11.1
147.11700	25.9
149.09644	13.6
149.13300	7.3
151.07562	6.5
151.11285	3.5
153.07069	5.3
154.07864	2.7
155.08603	22.7
155.10704	7.7
156.09355	22.7
157.10132	66.9
158.10910	6.1
159.08092	8.0
159.11713	33.8
161.09628	12.9
161.13292	8.5
163.11194	13.0
165.07028	9.9
165.09163	12.5
165.12743	3.2
166.07808	3.2
167.08636	11.7
167.10690	49.2
168.09363	10.3
169.10158	39.8
170.10841	12.0
171.11685	44.1
173.09692	3.1
173.13268	32.4
175.11223	9.7
175.14838	17.0
177.11241	3.3
177.12747	2.5
179.08586	16.3
180.09343	4.8
181.10103	16.1
181.12323	6.8
182.10904	8.1
183.11696	28.7
184.12512	6.2
185.09625	3.8
185.13268	20.6
187.11235	5.1
187.14844	11.9
189.12827	5.1
189.16411	3.9
191.14316	10.1
192.09378	5.8
193.10167	13.2
194.10916	10.2
195.11710	24.0
196.12485	8.6
196.64526	2.5
197.13319	26.1
199.11192	3.4
199.14819	28.5
201.12813	3.1
201.16438	4.5
203.14360	6.0
205.10211	4.2
205.16005	4.1
206.10985	6.8
207.11748	17.0
207.13815	7.2
208.12518	10.9
209.13289	30.9
210.13954	4.2
211.14796	13.7
213.12738	3.9
213.16489	6.2
215.14287	5.9
217.15897	30.8
218.11063	4.8
219.11755	5.7
220.12448	6.6
221.13300	19.5
221.15446	26.2
222.14011	5.6
223.13091	3.4
223.14803	15.1
224.15483	2.9
225.12822	3.1
225.16481	8.2
227.14264	6.3
227.18073	3.6
229.15814	3.4
231.11841	7.0
232.12508	3.8
233.13251	9.4
233.15462	14.4
234.14127	2.9
235.14893	11.1
236.15591	3.2
237.12785	2.7
237.16476	11.3
239.14485	4.0
239.17856	5.2
243.11716	4.2
245.13368	7.2
245.19341	2.9
246.14107	4.6
247.14761	13.6
248.15672	4.8
249.16469	11.1
251.14343	2.9
251.18091	8.2
255.17601	6.4
257.13254	4.4
257.19095	9.0
258.14151	5.1
259.14865	6.7
260.15646	4.6
261.16266	13.0
262.16983	2.9
263.18054	8.2
265.19669	7.3
269.19016	4.9
271.14841	2.9
272.15533	3.9
273.18591	7.4
275.17908	8.8
275.20230	9.3
277.19479	6.7
281.18985	2.8
283.20496	13.7
285.16330	3.6
287.17593	4.5
289.19473	5.6
291.19562	4.4
293.21378	3.9
295.20535	3.4
303.21194	4.0
329.22485	3.9
331.24207	4.2
333.22372	3.8
349.25436	9.5
375.27087	5.0
403.29944	4.3
413.28244	3.2
428.75623	2.9
491.35162	5.9
509.34152	4.0
542.47198	3.2
547.39252	4.3
565.40430	20.4
583.41400	98.9
584.41998	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	583.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71980	3.3
55.01868	5.0
55.05510	28.9
57.07074	7.0
57.29729	3.4
57.30030	4.0
67.05499	42.8
69.03438	7.0
69.07069	20.9
69.25000	47.4
79.05498	37.6
79.78441	4.0
81.03408	6.9
81.07053	65.2
83.04973	9.9
83.08625	16.4
91.05486	59.6
93.07056	50.8
95.04977	25.9
95.08610	32.2
97.06521	9.6
97.12547	4.8
98.21441	8.8
103.05481	7.2
105.07038	77.5
107.04955	14.4
107.08583	44.3
109.06554	18.2
109.10163	18.0
111.08059	5.6
115.05469	8.5
117.07002	25.0
119.08588	75.3
121.06528	4.7
121.10150	41.4
123.08074	12.0
123.11707	7.5
125.09678	4.9
128.06224	16.4
129.07019	19.4
130.07748	6.2
131.08572	36.5
133.06516	4.9
133.10127	42.1
135.08025	9.3
135.11668	13.9
137.09583	9.5
141.06998	7.0
142.07782	20.1
143.08595	41.4
144.09322	9.6
145.10129	55.5
147.08078	12.9
147.11707	13.6
148.93663	3.8
149.09634	10.6
151.07582	7.8
153.07030	7.3
155.08563	13.7
156.09358	16.2
157.10135	40.6
158.10910	9.4
159.08073	7.9
159.11722	24.0
161.09621	15.9
161.13272	4.1
163.11208	14.0
165.07079	4.5
165.09145	14.7
165.12703	3.9
166.07726	6.1
167.08514	11.7
167.10674	15.0
168.09392	6.0
169.10150	22.8
170.10918	4.3
171.11685	27.0
173.09685	4.6
173.13287	22.9
175.11238	9.6
175.14857	5.5
179.08572	11.7
181.10155	13.9
182.10931	5.8
183.11736	22.5
184.12389	4.3
185.13245	16.3
189.12788	4.7
191.14267	4.4
192.09271	4.4
193.10135	14.4
194.10828	10.0
195.11719	19.7
196.12370	5.7
197.13318	18.6
199.11159	5.8
199.14836	15.0
201.12769	5.9
201.16393	3.9
203.14423	6.6
205.10248	5.9
206.10901	5.4
207.11679	17.2
207.13669	9.0
208.12396	8.4
209.13307	25.7
211.14813	8.7
217.15987	9.8
219.11638	9.3
220.12398	5.7
221.13286	13.1
221.15392	35.1
223.14896	9.2
231.11719	4.8
231.82835	4.1
233.13269	5.8
233.15363	7.4
235.14857	10.9
237.16338	6.2
239.18134	4.9
245.13249	6.5
247.14861	13.1
249.16353	8.8
257.19058	10.3
259.14810	4.1
260.15485	5.2
261.16418	5.7
263.18069	4.5
265.19580	6.1
273.18594	38.1
275.17587	6.0
275.20303	22.0
283.20590	12.1
289.19461	5.3
289.77487	4.1
291.19638	23.4
292.88934	4.8
293.21332	6.3
331.24384	6.4
351.73544	4.4
491.35379	8.7
565.39954	13.6
583.40753	100.0
584.41541	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.3
55.05515	23.8
57.07072	7.2
59.04980	6.1
65.03942	7.5
67.05505	33.6
69.03418	6.4
69.07066	24.0
70.79539	8.3
70.79935	8.0
79.05492	35.0
81.03421	9.1
81.07053	57.0
83.08607	14.0
91.05485	40.4
93.07037	52.2
95.04964	16.7
95.08608	31.3
96.48342	4.9
97.06509	7.2
97.10175	5.7
103.05477	4.7
105.07030	55.7
107.04936	7.9
107.08592	42.0
109.06506	19.7
109.10152	19.6
115.85159	4.2
117.07018	21.2
119.08588	58.9
121.06516	7.9
121.10142	46.3
123.08037	17.0
125.09633	7.2
128.06209	8.9
129.07002	21.6
131.08562	27.1
133.06543	5.4
133.10112	28.8
135.08023	9.9
135.11658	14.1
137.09619	8.8
141.07010	7.9
142.07791	17.2
143.08548	30.8
145.10127	45.5
147.04475	4.8
147.08051	19.4
147.11661	18.8
149.09563	9.0
151.07544	12.7
155.08568	12.8
156.09305	14.0
157.10126	41.9
159.08070	5.4
159.11703	17.4
161.09615	15.7
161.13280	4.8
163.11143	10.2
165.07018	5.7
165.09134	20.4
167.08540	8.6
167.10674	27.1
169.10089	25.1
170.11002	4.9
171.08063	6.6
171.11746	26.3
173.09644	7.1
173.13277	22.9
175.11237	6.0
175.14807	13.7
179.08568	14.0
181.10136	8.3
182.10870	8.0
183.11668	12.6
184.12286	4.8
185.13208	12.2
187.14806	5.9
189.12697	5.8
191.14351	7.7
193.10139	7.7
195.11723	18.5
196.12318	4.3
197.13258	19.3
199.14810	11.9
203.14302	13.4
207.11682	11.3
207.13870	5.4
208.12440	5.1
209.13257	16.8
211.14856	8.3
213.16385	5.0
217.15947	6.1
221.13376	10.1
221.15382	34.0
223.14977	8.4
230.11061	4.7
231.11697	7.9
233.13312	5.7
233.15480	8.8
235.14821	9.7
237.16510	7.3
239.17877	5.5
245.13350	5.8
247.14766	7.0
249.16327	5.6
257.19019	5.8
260.15619	4.3
261.16397	6.8
265.19543	5.6
273.18610	22.6
275.17630	6.4
275.20215	9.8
277.19571	4.4
283.20639	8.5
291.19476	8.3
295.20529	4.3
349.25040	4.7
371.08649	5.4
491.35129	5.2
547.38135	7.1
565.40015	25.2
583.41370	100.0
584.41840	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01854	2.0
55.05509	12.2
57.07069	8.0
58.59394	0.9
59.04990	3.8
62.85638	1.0
65.03942	2.0
67.05173	1.5
67.05506	18.9
69.03423	6.1
69.07070	16.3
71.04983	1.5
71.13091	1.4
73.43801	1.0
77.03909	1.4
79.05489	20.2
81.07058	24.2
82.07397	1.1
83.04976	6.6
83.08620	7.3
85.06538	4.5
91.05483	30.0
93.07047	45.9
95.04955	10.0
95.08607	26.7
97.06516	4.4
97.10126	1.0
103.05467	3.9
104.06294	1.0
105.04533	1.2
105.07028	53.1
106.07335	2.0
107.08591	38.2
108.08923	1.3
109.06525	8.4
109.09455	1.6
109.10157	18.0
111.08094	2.6
113.05970	1.3
115.05460	4.2
116.06239	1.7
117.07014	11.1
118.07765	1.0
119.04980	1.3
119.08586	59.5
119.97061	1.2
120.08910	1.2
121.06543	3.6
121.10146	46.8
123.08064	14.9
123.11700	5.6
125.06020	1.8
125.09631	3.0
128.06221	7.8
129.07002	11.6
130.07771	5.8
131.08562	24.1
131.56627	1.0
133.06461	2.2
133.09105	1.7
133.10126	31.2
135.08069	9.2
135.11673	13.0
137.09616	7.7
139.11201	3.5
141.06975	6.6
142.07788	15.5
143.08562	29.0
144.09361	6.0
145.06410	1.5
145.10121	41.0
146.10632	1.0
147.08064	9.6
147.11679	14.1
149.09647	7.2
149.13249	2.8
151.07536	14.6
151.11212	1.2
153.07019	3.4
154.07802	1.6
155.08553	13.2
155.10704	2.6
156.09348	12.9
157.10133	39.5
158.10875	5.9
159.08076	5.0
159.11703	22.1
161.09586	4.9
161.13245	7.2
163.11179	6.8
165.07019	5.0
165.09113	13.0
165.12827	1.0
166.07793	2.4
167.08591	6.2
167.10674	22.5
168.09338	4.5
169.10124	21.8
170.10869	6.9
171.11682	22.9
172.12384	1.8
173.09637	4.0
173.13260	21.2
173.14693	1.7
175.11206	3.6
175.14870	6.8
177.09126	1.7
177.12883	1.1
178.07767	2.5
179.08566	9.5
180.09351	4.9
181.10138	14.0
181.12013	4.8
182.10899	6.0
183.11702	19.6
183.45453	1.1
184.12468	3.5
185.09669	1.1
185.13260	17.6
187.11179	2.3
187.14861	5.2
189.12776	5.0
189.16348	1.4
191.14282	6.3
192.09410	2.9
193.10161	10.3
194.10910	8.8
195.11710	18.4
195.13536	0.8
196.12454	5.4
197.09605	1.0
197.13264	19.4
198.13840	1.4
199.11223	2.6
199.14844	12.8
201.12756	2.5
201.16444	1.7
203.08612	1.9
203.14304	7.1
204.09435	1.4
205.10117	3.1
206.10883	7.3
207.11720	11.4
207.13818	5.9
208.12494	5.2
209.13237	20.0
210.14037	3.0
211.11310	1.5
211.14803	12.5
211.16493	1.3
212.15709	1.1
213.12654	1.5
213.16406	4.3
215.14372	2.3
215.17886	1.2
217.10204	3.5
217.15912	6.8
218.10918	3.1
219.11742	6.3
219.13521	0.9
220.12398	4.6
221.13269	16.1
221.15419	26.4
222.13956	2.6
223.14804	13.2
224.15570	2.7
225.12912	1.2
225.16353	7.1
227.14360	2.7
227.17973	1.1
229.10214	1.1
229.15919	2.0
231.11740	3.9
231.17314	2.2
232.12482	3.6
233.13280	6.6
233.15417	7.9
234.13992	3.3
235.14824	10.3
236.15593	1.9
237.12729	2.1
237.16434	7.5
239.14323	1.3
239.17993	3.5
241.15813	1.2
243.11710	2.3
244.12442	1.7
245.13297	6.3
245.15472	1.1
246.14009	3.1
247.14761	7.8
247.17035	1.4
248.15500	2.7
249.16354	6.6
250.16997	1.8
251.14438	1.2
251.17914	5.1
253.19501	1.5
255.17412	2.1
257.13403	2.6
257.19073	3.9
258.14041	2.5
259.14896	5.6
260.15634	3.4
261.16296	7.5
262.17203	1.0
263.17844	4.4
265.19547	5.9
265.22119	1.2
267.17474	2.3
269.18939	5.1
271.14731	1.5
271.20453	1.8
273.16388	3.0
274.16986	1.4
275.14972	1.6
275.17731	7.6
276.18640	1.3
277.19522	2.8
279.21167	2.6
281.19104	2.3
283.15121	1.7
283.20557	9.1
284.15933	1.2
285.18802	1.6
287.17740	2.4
289.19586	2.9
291.20987	1.5
293.19049	2.2
295.20627	4.0
297.16248	1.5
297.22122	1.7
299.17673	1.5
301.19510	2.7
307.20688	1.7
309.22021	1.3
315.21112	2.1
317.22733	1.5
319.20743	2.3
319.24350	1.6
321.22110	1.5
327.20938	1.4
329.22714	1.6
331.24219	3.6
333.21991	1.4
335.23843	3.1
343.24362	1.7
347.23798	3.7
349.21045	1.0
349.25229	5.0
357.25690	2.1
359.23724	1.8
361.25302	2.3
365.24469	1.6
373.25311	2.3
375.26880	4.0
403.29907	5.8
427.30008	1.4
437.30508	1.4
438.26837	1.0
443.29852	1.3
485.33786	1.2
491.35028	1.8
503.34955	1.8
509.34164	2.0
547.39417	4.0
565.40387	18.4
583.41467	100.0
584.41656	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07512	3.2
53.03954	2.8
55.05506	12.6
57.07076	5.3
58.28632	2.7
59.05001	5.5
60.44820	2.7
65.03954	3.9
65.85075	2.7
66.00869	2.5
67.05507	20.2
69.03415	4.5
69.07068	12.7
70.67611	10.1
70.68375	2.7
79.05484	19.6
81.07069	25.9
83.04961	4.0
83.08613	8.6
91.05481	24.5
93.07042	40.3
95.04980	9.4
95.08605	24.5
97.06522	6.0
103.05462	3.1
105.07030	38.6
107.04988	3.6
107.08593	28.0
109.06537	9.9
109.10127	16.4
113.09741	2.9
113.73303	3.0
115.05466	2.9
117.07072	8.2
119.08585	44.6
121.06496	7.2
121.10139	32.2
123.08064	11.7
123.11734	5.1
128.06244	6.1
129.07019	10.7
130.07858	4.1
131.08597	16.9
133.10164	23.2
135.08110	3.6
135.11673	7.5
137.09636	8.0
139.11195	4.6
142.07800	11.0
143.08575	21.8
144.09361	3.7
145.10124	29.5
145.10936	2.5
147.08061	8.5
147.11702	8.9
149.09628	6.9
151.07576	12.8
151.11198	3.8
155.08578	12.5
155.10573	3.2
156.09389	10.3
157.10120	33.4
158.10817	4.0
159.11739	16.4
161.09663	6.7
161.13292	7.0
163.11153	6.7
165.09120	16.1
167.08653	4.6
167.10646	13.4
168.09418	4.3
169.10129	16.7
170.10794	3.4
171.11690	15.7
172.12447	3.6
173.09668	4.6
173.13274	13.5
175.11165	3.6
175.14828	3.9
181.10176	8.9
183.11737	14.0
185.13293	13.4
187.14891	5.4
189.12784	4.1
191.14310	5.4
193.10204	8.5
194.10953	7.9
195.11713	10.9
196.12474	3.6
197.13261	15.5
199.14883	7.9
203.14391	6.5
206.10970	4.4
207.11745	7.2
207.13724	3.4
209.13263	14.2
211.14948	3.2
213.16383	4.6
217.15845	4.4
219.11728	3.4
220.12505	4.0
221.13297	9.1
221.15433	24.9
223.14841	8.3
225.16400	3.5
233.13301	4.2
233.15442	6.5
235.14839	7.1
237.16539	4.2
239.18031	3.8
243.11938	2.9
247.14778	7.1
249.16370	4.5
251.18021	5.8
257.19089	6.0
259.14798	3.1
260.15714	4.5
261.16379	6.1
263.18085	5.4
265.19785	3.0
269.18930	4.6
273.16034	3.9
273.18781	6.0
275.17834	5.5
283.20630	6.0
295.20438	3.4
297.22122	4.1
349.25317	6.0
403.30234	4.6
547.38806	6.1
565.40497	27.3
583.41400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01859	8.8
55.05517	61.0
57.07073	14.2
59.04980	8.5
63.42524	7.3
66.47029	7.4
67.05187	9.1
67.05499	66.0
69.07072	40.4
69.52911	53.1
70.43123	8.0
76.26073	7.7
78.99328	8.1
79.05495	62.2
81.03404	13.1
81.07063	91.7
83.04979	14.0
83.08622	25.4
91.05491	82.6
93.07056	69.4
95.04974	27.8
95.08618	53.1
97.06530	11.5
97.10172	17.4
98.20743	13.4
103.05447	7.9
105.07045	100.0
107.04939	14.2
107.08608	52.2
109.06540	25.2
109.10172	25.8
117.07052	38.2
119.04941	8.0
119.08601	85.9
120.94273	7.8
121.10165	45.8
123.08105	8.3
125.09676	16.3
129.07043	18.8
131.07726	7.7
131.08559	43.5
133.10133	78.9
135.08081	25.0
135.11691	25.4
141.07048	7.0
143.08606	28.4
145.10100	40.3
147.11687	46.9
149.09616	16.0
149.13307	7.8
150.78394	7.9
157.10130	35.4
159.08057	11.3
159.11674	25.1
161.09612	19.1
161.13271	26.5
163.11212	11.5
165.09119	13.8
169.10112	10.5
171.11676	19.3
173.13231	18.0
175.14861	10.6
183.11784	16.5
185.13254	16.2
195.11855	9.6
197.13362	14.7
204.43071	8.7
221.13358	9.3
221.15385	12.7
241.19635	22.7
247.14677	8.6
257.19064	11.9
259.20554	45.2
273.18539	22.0
275.20123	20.3
289.18121	18.6
291.19531	12.1
341.30856	11.8
395.29547	8.9
413.30478	8.7
429.43427	7.8
565.39264	45.6
583.40894	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
53.98743	2.3
55.01876	16.6
55.05514	76.0
57.03453	4.5
57.07085	17.8
59.05000	7.8
65.03923	3.1
66.75103	2.2
67.05508	81.7
69.03445	5.0
69.07076	29.8
70.03632	4.4
70.04041	9.2
71.04987	4.1
71.08633	15.1
75.10654	2.4
79.05056	4.5
79.05500	75.0
81.03423	19.8
81.07062	97.0
83.04990	16.7
83.08624	61.1
85.02911	2.4
85.06571	2.4
85.10186	14.7
89.06046	11.1
91.05488	74.7
93.07051	64.5
95.04974	56.7
95.08611	50.2
97.06512	13.1
97.10163	21.4
98.21407	2.6
99.08112	2.4
103.05473	3.8
105.07037	75.8
107.04967	31.6
107.08597	47.9
109.06538	22.1
109.10160	30.9
111.04481	3.0
111.08090	12.5
115.05473	4.5
117.07035	39.7
119.04931	4.9
119.08585	75.9
121.06535	17.9
121.10148	35.4
123.08100	14.0
123.11682	5.5
125.09656	21.4
128.06218	4.8
129.07008	17.0
130.07822	2.7
131.04970	7.1
131.08578	36.5
132.05762	2.8
133.06488	17.1
133.08615	8.1
133.10144	43.8
135.04433	2.7
135.08099	15.7
135.11722	22.6
137.09644	12.1
139.11176	2.7
141.07024	8.7
142.07803	4.2
143.08565	21.3
145.06496	8.6
145.10130	48.1
146.04500	2.6
146.07263	5.5
147.04388	6.1
147.08049	28.6
147.11710	19.9
149.09637	48.8
149.13199	4.3
151.11209	8.2
153.09151	5.0
153.12776	2.5
154.07784	2.9
155.08548	12.7
157.10150	21.2
159.08067	7.6
159.11674	28.3
161.09627	32.2
161.13268	8.9
162.10454	2.6
163.11192	53.4
165.09091	2.4
165.12747	8.1
167.08633	3.7
167.10748	3.5
169.10164	14.3
171.08090	3.3
171.11620	12.9
173.09554	11.0
173.13272	13.2
175.11267	13.8
175.14810	4.1
177.11333	4.5
177.12804	10.3
179.08699	2.7
179.14284	2.5
181.10136	5.6
183.11745	11.9
185.13257	8.8
187.11250	6.3
187.14877	2.9
189.11238	13.7
189.12813	5.3
191.10683	3.8
191.14186	3.2
192.09464	2.6
193.12212	3.6
195.11780	8.6
197.13312	7.7
199.11066	3.6
199.14900	4.4
201.12808	6.2
201.16512	3.3
205.00826	2.7
205.12257	5.8
211.14833	3.6
213.12775	3.2
215.14337	6.3
217.15965	2.8
221.13361	2.6
221.15414	4.2
223.13232	23.2
223.15134	2.9
229.16025	3.0
229.19507	6.6
233.15410	3.6
237.16422	3.7
239.17979	13.0
241.15797	3.0
243.14072	3.2
245.18962	5.8
247.20561	5.2
249.14786	3.2
255.17516	3.7
257.19012	25.1
261.14813	18.8
265.25204	4.1
269.19070	4.0
273.18539	58.1
275.16882	5.4
275.20099	100.0
285.22354	4.5
287.20108	2.7
289.17960	11.8
290.18787	59.6
291.19543	41.5
293.21146	42.6
315.19427	6.7
327.19916	3.6
395.29599	2.8
419.59903	2.3
437.30533	7.2
455.31497	10.7
487.48697	2.3
495.30392	2.6
547.37860	9.2
565.39026	23.0
582.80676	3.0
583.40253	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38166	1.9
53.03945	3.7
55.01874	6.7
55.05513	37.5
57.03434	10.9
57.07081	19.1
57.38459	2.1
58.52255	2.1
59.87594	2.1
61.11242	2.6
65.03927	2.6
67.05174	3.5
67.05508	52.8
68.45593	2.2
69.03450	3.4
69.07073	62.3
70.19328	2.2
71.04999	3.6
71.08632	12.8
73.02906	3.2
75.04456	2.1
77.17825	1.9
79.05495	31.8
81.03417	7.3
81.07062	74.5
83.04976	4.6
83.08622	48.1
85.02898	5.2
85.06573	5.1
85.10176	6.7
91.05493	16.1
93.05526	3.7
93.07047	31.1
95.04952	6.7
95.08611	63.7
97.06535	10.9
97.10168	31.1
98.20708	5.0
105.07030	14.8
107.04947	8.1
107.08599	28.7
109.02888	8.6
109.06535	7.5
109.10165	34.0
111.04469	3.6
111.08102	8.0
111.11724	7.0
111.95203	2.2
117.07043	6.5
119.08567	11.0
121.06480	2.7
121.10152	50.1
123.08090	4.4
123.11727	11.7
125.09647	9.0
127.14956	2.5
129.06984	4.3
131.08556	6.5
133.10162	8.2
135.08049	6.2
135.11702	36.6
137.13239	2.6
139.11188	4.6
143.08560	6.3
145.06485	2.9
145.10153	6.3
147.08162	3.3
147.11697	4.0
149.09631	5.5
149.13269	14.0
151.14835	5.0
157.10124	3.6
159.11749	3.2
161.09660	4.3
163.11137	5.5
163.14822	9.6
165.12729	2.8
165.16348	4.5
167.14424	2.2
169.10225	2.4
171.11714	3.0
173.09596	2.5
173.13242	2.6
177.16422	4.7
179.08588	2.5
183.11740	4.1
185.13252	2.3
191.00050	5.5
191.17970	2.6
194.10999	2.5
209.13083	2.5
229.69513	3.0
238.10054	2.3
247.24220	47.2
265.25290	100.0
269.88632	2.3
273.18491	23.2
275.20074	9.8
276.20435	2.4
283.26321	14.4
291.19629	6.1
293.21210	3.7
339.24869	4.8
339.28967	90.1
357.30017	20.9
460.60333	2.4
565.30176	7.6
565.39532	7.9
583.40576	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	583.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01880	17.1
55.05513	75.3
57.03441	4.8
57.07066	8.8
59.04990	2.9
65.03952	6.6
67.05507	84.8
69.03431	8.8
69.07071	34.9
70.03160	10.6
71.04983	7.4
71.08625	6.1
79.05496	70.7
81.03411	19.0
81.07057	100.0
83.04990	14.3
83.08620	62.1
85.02917	3.2
85.06544	6.5
85.10180	4.9
86.32556	1.9
89.06023	4.7
90.29639	1.8
91.05483	83.7
93.07046	77.1
95.04969	56.1
95.08611	51.7
97.06525	13.1
97.10168	22.8
98.88799	1.7
99.08094	4.6
103.05495	3.5
105.03381	2.2
105.07031	71.9
107.04958	29.2
107.08606	43.5
109.06523	22.1
109.10158	26.6
111.08087	14.5
113.09686	2.6
115.05482	5.1
117.07008	37.2
119.04932	4.3
119.08586	70.8
121.06515	18.9
121.10139	36.4
123.08084	13.9
123.11722	4.5
125.09620	19.8
128.06219	7.5
129.07001	20.0
130.07820	4.4
131.04933	8.2
131.08583	38.9
132.05655	3.4
133.06503	15.7
133.08609	3.7
133.10121	41.2
135.08066	16.4
135.11693	21.7
137.09587	9.9
139.11212	4.3
141.07027	3.6
141.79977	2.0
142.07779	4.3
143.08551	16.4
145.06465	10.4
145.10124	46.0
146.07309	4.0
147.04489	2.6
147.08054	26.4
147.11699	20.0
149.09624	46.4
149.13277	6.0
151.11201	5.9
153.07158	2.0
153.09117	3.7
155.08521	12.8
155.10588	2.5
157.10139	16.1
159.08084	6.4
159.11708	23.6
161.09618	36.4
161.13252	9.7
162.10373	2.4
163.11179	50.0
165.12767	9.8
167.08553	2.7
167.10703	6.7
169.10152	8.8
171.08104	2.2
171.11664	14.2
173.09668	9.3
173.13249	10.7
175.11171	13.2
175.14793	3.9
177.12766	6.6
181.10179	3.8
183.11652	12.2
185.09633	3.1
185.13295	6.7
187.11203	7.1
187.14815	3.4
189.09576	1.9
189.11252	9.8
189.12706	4.6
191.10655	3.7
191.14372	3.4
193.10135	2.9
193.12260	4.1
195.11752	5.6
197.13206	10.3
199.11256	2.4
199.14861	3.3
201.12749	5.2
205.12257	4.4
207.11652	3.8
209.13353	5.2
210.62799	2.0
211.14839	5.9
213.12773	2.6
213.16418	3.4
215.14384	4.1
217.15935	3.2
223.13208	24.7
225.12761	2.6
225.16356	2.4
227.17839	2.2
229.15955	2.4
229.19612	6.9
233.15417	3.9
239.17947	15.8
243.13774	4.1
245.19080	5.5
247.20770	3.0
249.14732	2.8
255.17503	5.7
257.19040	26.4
261.14844	20.0
265.25327	3.9
273.18500	51.1
274.18866	2.7
275.16809	5.4
275.20074	98.4
279.17282	2.1
283.20428	2.1
285.22073	3.0
289.17947	12.2
290.18744	49.5
291.19519	45.6
293.21140	41.2
315.19781	4.6
339.29050	5.2
395.29367	3.9
421.27283	2.8
437.30591	8.5
455.31445	9.5
473.32422	2.4
529.36945	2.3
547.37872	9.9
565.39203	23.8
583.40070	69.9
585.03253	2.2
587.81384	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.1
55.05510	12.6
57.03440	11.7
61.02936	5.9
67.05505	38.2
69.03429	5.7
69.07058	10.8
69.52888	15.0
69.53309	5.8
71.04979	3.5
71.08633	29.3
73.02912	3.4
77.63174	2.6
79.05499	23.8
81.03402	8.8
81.07059	35.2
83.04985	5.4
83.08597	7.7
85.02909	7.6
91.05485	19.0
93.07048	25.5
95.04967	5.5
95.08616	26.0
97.02879	4.9
97.06515	4.9
97.10198	3.5
99.08094	24.1
105.07052	12.3
107.04934	3.1
107.08591	11.8
109.06522	3.5
109.10160	27.2
111.08070	5.2
111.56232	2.3
113.44179	2.4
117.06969	3.3
117.09159	2.9
119.08580	10.5
121.06538	2.3
121.10123	8.3
123.08073	4.6
123.11626	3.4
125.09625	6.0
125.41181	2.8
127.03973	4.0
129.07024	3.4
131.08574	5.1
132.89030	2.5
133.10150	4.8
135.11673	3.4
137.06122	2.8
139.11203	4.9
145.10156	5.8
147.11671	5.1
149.13297	2.9
151.11195	16.8
161.13263	10.3
163.11217	9.5
168.66090	2.5
173.11758	37.2
179.14317	11.3
185.13211	3.4
229.14397	27.1
241.19394	3.9
253.18031	10.1
259.20673	4.9
275.20016	10.7
277.21609	16.1
287.46234	2.8
293.21072	10.3
351.25317	100.0
367.25058	2.7
369.26303	3.1
383.21985	3.2
401.22827	3.7
530.21381	3.0
577.71326	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	582.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99412	2.2
53.03947	2.4
55.01873	6.3
55.05517	21.0
57.03436	4.9
60.58158	2.1
65.03944	2.8
67.05502	20.8
69.03441	5.7
69.07066	3.7
70.06596	3.9
71.08631	8.4
71.26264	2.2
71.59857	3.7
71.60210	2.1
79.05514	15.0
79.78034	2.5
81.03432	15.8
81.07073	17.5
83.05001	6.2
83.08616	15.8
85.02912	6.8
85.06545	3.0
86.09688	2.9
91.05484	11.4
93.07048	14.7
95.04974	17.1
95.08614	8.2
97.02892	4.5
97.06518	4.2
97.10170	15.1
98.20893	2.3
99.08102	8.9
100.11257	4.4
103.05497	2.6
105.07030	6.9
107.04955	8.6
107.08594	15.2
109.06551	3.8
109.10178	7.9
111.04430	9.9
111.08046	3.7
115.05515	2.5
117.07020	4.3
119.08595	8.9
121.06514	5.7
121.10141	7.6
123.11742	3.5
125.09617	15.4
127.03890	2.9
131.08598	7.5
133.10139	6.0
135.08058	3.5
135.11661	6.9
137.05974	17.2
145.02873	5.6
145.06514	6.5
145.10141	7.8
147.04422	3.9
149.05972	4.0
151.03899	2.8
151.11159	3.8
153.09151	4.7
153.12779	3.4
154.13516	2.2
157.10130	2.9
161.06010	3.3
161.09634	2.8
163.11198	13.3
164.51022	2.6
165.05484	2.5
167.07024	19.8
168.07294	3.1
173.06009	4.7
177.05423	11.2
177.12791	3.3
181.04907	4.8
181.08592	3.3
184.07376	11.4
186.07976	2.7
189.11282	11.5
191.07024	3.2
193.08618	2.3
193.12277	2.7
195.13817	5.6
205.08629	5.4
207.06557	4.5
217.08708	2.6
223.13216	4.5
227.12740	6.6
235.09685	5.4
245.13890	3.2
257.18970	2.6
263.06955	3.0
275.20065	16.5
293.21103	42.6
293.47684	2.3
302.88620	2.7
311.22293	4.7
314.10315	2.3
329.10260	3.7
367.24829	45.0
385.17871	5.6
385.25870	100.0
459.16611	4.9
547.30841	3.0
565.20068	3.6
583.27832	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	582.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66953	3.0
53.03942	4.4
55.01863	4.7
55.05498	3.0
57.03426	6.2
61.02906	9.3
64.74450	2.8
66.71873	2.9
67.05502	3.3
69.03441	28.2
70.06584	10.8
71.04961	2.7
71.59289	5.2
73.02887	5.0
79.05482	9.1
80.39832	2.8
81.03420	13.3
81.07036	6.6
81.21191	2.6
85.02910	42.3
86.03225	3.2
91.05472	8.8
93.06991	4.4
95.04954	13.5
95.08584	9.4
97.02895	17.1
98.44024	3.5
98.97587	3.9
99.04441	5.6
103.05473	4.8
105.07030	6.2
107.04966	29.8
107.08583	4.0
108.05244	3.1
109.02834	7.2
109.06538	3.7
109.10151	8.0
114.10299	7.2
115.05432	3.5
117.07024	9.2
119.08612	4.5
121.10098	6.5
123.04441	19.8
125.05992	3.6
127.03885	8.3
129.05525	3.5
129.06996	6.1
131.04924	5.4
131.08556	3.1
137.05980	21.9
145.06482	19.3
147.04449	5.5
149.05971	3.5
151.03961	2.8
151.07526	4.4
153.05466	9.5
155.07002	9.2
156.05667	9.2
157.06456	3.5
158.99713	3.0
159.08110	13.8
161.05989	13.5
163.07516	5.7
165.05431	4.7
167.07050	79.9
168.07573	13.6
169.06459	3.8
173.05980	28.8
174.06599	5.0
175.07458	4.7
175.14786	6.2
176.55333	3.3
177.00716	4.4
177.05482	3.8
179.07051	6.5
181.08569	4.5
183.06551	40.0
184.05179	4.3
184.07286	9.8
187.07553	11.5
189.05489	4.7
189.09122	4.5
190.06293	14.4
192.07822	4.6
193.08626	4.0
193.15913	4.6
195.08138	4.1
195.09813	2.9
201.09184	3.5
202.06268	4.8
203.06956	6.6
204.07765	3.0
205.08606	31.2
205.37170	3.0
210.08850	7.7
215.06955	6.3
217.08597	60.8
218.07195	5.1
218.09302	9.0
219.08231	5.6
219.10138	18.7
220.10855	4.9
223.09624	9.8
231.07915	4.1
231.10033	3.3
233.09612	6.7
234.06728	5.4
234.08904	8.9
235.09680	6.3
236.08253	7.1
238.12077	4.8
241.10768	8.4
247.07588	8.0
248.08228	9.4
248.10478	13.6
249.08974	5.7
249.11227	7.1
251.07141	3.5
251.10657	6.1
254.73959	3.3
261.09070	9.9
263.06927	5.2
263.10779	3.8
264.07809	9.9
265.08585	3.8
266.11530	6.6
275.07339	5.1
276.07794	6.6
277.08578	10.1
278.09161	6.5
279.10275	15.2
283.09604	4.3
289.08286	3.8
291.10193	7.9
293.08032	8.0
295.09369	5.1
296.10333	5.9
297.11078	4.4
306.08560	3.7
307.09695	16.3
308.10059	7.3
309.11169	7.2
311.09396	3.3
311.12805	8.9
320.10382	3.6
321.11191	7.9
323.12744	5.9
324.09698	6.6
325.10645	7.5
329.10135	9.1
330.10974	5.3
331.11835	3.8
337.10583	11.9
338.11331	4.4
339.12247	14.5
344.12448	14.4
351.12314	6.5
353.13718	13.4
356.12296	4.7
357.13574	4.1
359.14914	3.4
369.13284	34.3
370.13742	11.2
371.14914	56.9
372.15240	8.0
382.14014	6.8
383.14636	11.7
384.15652	17.8
387.14294	12.1
389.15906	9.5
390.16287	13.9
401.16010	100.0
402.16473	74.1
419.17038	8.2
420.17755	49.8
456.20163	3.4
533.20203	20.9
555.26337	3.5
564.21875	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	581.1498
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
51.51085	1.0
56.96571	1.7
57.03434	3.7
57.48454	0.8
57.73944	1.0
57.96228	0.9
59.06124	5.3
61.02928	2.0
65.03929	1.4
69.03423	3.5
70.06596	10.6
71.01358	1.1
71.15060	1.7
73.02914	6.8
74.06078	3.0
79.05476	1.9
81.03432	3.7
81.07079	1.1
83.04996	1.0
85.02927	10.7
85.07668	16.0
86.09718	1.8
87.64509	0.9
87.80239	1.0
91.03942	1.0
91.05463	1.9
93.07036	1.8
94.10789	1.0
97.02902	6.0
100.11266	1.9
105.07023	1.4
107.04989	5.3
107.08615	1.1
109.02870	1.7
109.06516	1.1
111.04482	1.0
111.09218	4.0
115.03937	2.4
116.98607	1.1
119.08594	1.3
120.08067	1.0
121.02867	3.0
127.03911	3.0
128.11839	18.9
131.00006	0.9
131.04936	1.2
133.10164	1.3
137.02357	1.0
144.06586	1.6
145.04997	1.7
147.04475	1.4
153.01855	4.4
161.06000	1.2
163.03836	1.2
165.01872	1.0
167.07047	1.8
177.00790	1.3
177.05460	1.3
179.07054	1.1
181.05002	1.7
183.02858	1.2
213.05464	1.4
243.08838	1.2
266.10733	1.1
283.13269	3.2
287.05508	100.0
288.05896	1.5
291.03879	1.3
302.05856	1.3
303.05038	2.1
309.11215	1.5
321.69305	1.0
324.11502	3.1
340.12906	2.5
349.13306	3.9
407.23340	2.5
425.24390	4.0
438.64072	1.0
439.92584	1.0
449.11758	1.2
453.34378	1.6
454.99472	1.2
462.58942	1.1
491.29135	38.2
560.33234	1.2
581.28326	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	581.1502
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01869	1.2
55.05509	1.8
57.03438	19.8
59.05005	0.9
61.02928	5.1
67.05495	1.1
69.03432	19.9
69.03807	1.0
70.00504	3.3
71.01347	2.6
71.04994	17.0
73.02921	41.9
75.04478	1.9
81.03425	1.2
83.04541	1.1
83.04985	11.2
85.02908	36.6
85.07645	0.7
87.04455	1.5
93.03426	0.8
95.04970	1.7
97.02896	30.7
99.04459	1.7
101.05995	0.6
103.03916	1.0
109.02900	1.2
111.00826	0.9
111.04446	8.3
113.02372	0.8
113.05926	0.6
115.03929	17.3
121.02860	1.1
123.04408	0.8
125.05960	0.9
126.34091	0.7
129.05476	11.8
133.04994	4.7
135.04448	1.4
137.02348	9.8
137.05971	0.9
139.03874	1.4
143.03320	1.1
147.06528	5.6
149.02411	1.1
149.04361	1.0
151.03871	0.9
153.01822	4.6
157.04974	1.0
161.02345	0.9
161.05965	0.9
163.03966	1.6
165.01833	2.0
167.03270	0.7
173.05975	1.0
173.19014	0.6
181.05003	0.9
183.02878	1.3
183.06413	0.6
191.03438	0.9
193.77399	0.6
195.02849	1.4
197.40578	0.6
201.05487	1.8
211.05907	1.4
213.05534	1.0
215.03514	0.7
219.02983	0.8
225.05481	1.2
225.07526	6.6
228.04488	0.7
229.04964	4.0
231.03065	0.8
243.06438	0.7
243.08682	2.0
245.04515	0.9
257.04413	2.3
261.09668	1.5
274.04733	1.2
285.04022	2.2
285.88098	0.6
287.05545	0.8
288.06329	1.0
299.05569	3.9
301.03302	0.6
302.04245	5.2
303.05005	100.0
304.05191	1.2
313.07053	0.9
315.04962	17.7
316.05740	3.6
317.06558	23.0
327.05060	5.6
329.06528	2.6
341.06586	3.9
342.97421	0.6
343.08423	0.7
345.06064	47.1
353.06601	2.4
357.06152	0.6
359.07651	1.4
367.08109	2.3
369.01810	1.2
369.06082	11.9
371.07559	1.0
375.07059	1.2
377.06247	0.8
383.07721	1.2
395.07715	7.4
413.08685	24.2
413.14285	1.3
431.09732	15.2
449.10837	26.3
477.10217	1.5
581.15051	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	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.4
55.01863	16.4
55.05516	40.8
57.02209	4.6
57.03445	23.9
61.02928	7.5
65.03944	4.6
67.05508	58.4
69.03439	29.3
69.07066	35.7
70.06595	9.8
71.04997	22.1
71.60297	5.7
73.02908	6.9
79.05500	53.8
81.03432	35.4
81.06645	7.6
81.07063	93.3
83.04972	21.7
83.08616	26.5
84.04488	5.1
85.02916	40.2
86.03191	4.8
91.05484	51.9
93.07051	55.1
95.04964	27.9
95.08617	38.0
97.02892	19.6
97.06540	44.1
97.10197	28.8
99.04452	10.0
99.08126	8.6
105.07054	33.7
107.04957	20.7
107.08601	39.5
109.02902	12.5
109.06512	17.7
109.10146	17.4
111.04456	19.2
111.08075	11.2
115.07561	16.2
117.07032	18.0
119.08576	37.3
121.06468	18.2
121.10144	22.6
123.04427	8.4
123.08070	18.9
123.11763	6.1
124.07616	4.9
125.05997	5.8
125.09615	22.4
127.03926	20.4
128.74330	4.4
129.07002	13.5
131.08569	19.9
133.06505	7.4
133.10172	23.1
135.08026	18.5
135.11670	11.9
137.06012	7.5
137.09601	12.4
143.08575	7.9
145.04985	5.6
145.10114	21.1
147.04347	11.7
147.08055	14.6
147.11691	11.4
149.09648	11.9
149.13231	11.2
153.12724	7.8
157.10165	8.8
159.11751	9.0
161.09645	12.5
163.11177	31.9
165.09174	5.2
165.12720	8.5
167.07050	13.0
171.11646	9.8
173.09808	6.2
175.11208	12.7
177.05493	12.4
177.09016	5.4
179.10469	5.4
181.04900	6.5
181.12213	10.0
185.09677	5.2
185.13304	5.9
187.11243	6.8
189.11188	25.1
189.12714	5.3
191.10687	7.5
193.12209	5.9
207.06406	4.9
210.14941	6.2
217.15810	9.1
223.13316	7.2
223.42198	5.3
227.12784	15.7
233.15312	8.6
239.16466	11.5
245.18918	9.6
255.17609	5.3
263.19998	5.4
269.17542	14.3
273.18463	51.4
291.19574	100.0
296.12610	4.7
297.16864	6.5
309.17212	4.8
309.20590	19.8
310.38474	5.1
329.10684	14.6
333.05948	11.0
334.06366	9.3
347.22009	5.7
351.21725	6.4
365.23248	87.0
383.24313	46.4
417.22491	7.1
435.23724	22.5
453.24988	13.3
484.65906	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62700	3.1
53.03945	6.7
55.01871	9.3
55.05511	18.6
57.03445	22.1
57.07046	3.1
61.02927	11.4
65.03933	3.7
65.94238	3.1
66.32954	2.7
67.05509	54.7
69.03437	19.9
69.07072	65.7
69.30630	24.4
69.31041	7.1
70.06592	4.5
71.04990	25.3
73.02913	11.0
79.05499	49.3
81.03433	19.3
81.07058	57.6
83.04993	13.7
83.08610	8.8
85.02916	21.5
85.06554	9.0
91.03973	5.7
91.05482	44.5
91.06010	4.5
93.07046	52.7
95.04978	19.2
95.08604	33.3
97.02905	13.8
97.06532	100.0
97.10182	7.1
98.21527	6.8
99.04466	5.5
99.08104	10.1
105.07036	34.4
107.04943	15.3
107.08605	32.8
109.02901	3.3
109.06534	26.4
109.10167	10.8
111.08073	8.0
113.06016	3.3
115.07569	45.0
117.07003	22.6
118.19057	3.6
119.08575	20.3
121.06491	7.4
121.10113	14.9
121.23884	3.5
123.08057	7.5
127.03946	9.7
127.07613	7.1
128.06206	4.0
129.05502	3.1
129.06944	7.9
131.07028	4.7
131.08594	21.8
133.06534	4.8
133.09254	3.9
133.10127	21.1
135.08035	15.0
135.11720	14.6
137.09615	4.0
143.08540	8.4
145.04965	4.1
145.06474	4.7
145.10164	14.4
147.08072	6.9
147.11687	9.1
149.09613	8.3
149.13234	15.9
151.11151	4.8
156.59337	2.9
157.10141	9.9
159.11703	17.8
161.09648	6.0
161.13347	4.6
163.11214	6.2
165.12770	3.1
167.07147	3.5
169.10126	3.8
171.11771	5.2
173.04474	7.1
173.13258	6.1
175.11186	5.1
177.12733	14.6
184.07326	3.9
195.13806	8.3
203.14426	4.6
207.13805	3.6
217.15923	9.5
221.15364	4.8
233.15337	16.1
239.16495	4.5
245.18961	4.6
255.15953	13.2
269.17477	73.8
271.15244	3.3
273.18442	38.4
289.18188	3.6
291.19464	23.0
297.16995	12.4
307.19012	11.6
316.05716	6.9
317.06277	9.7
325.20148	6.6
331.08136	13.6
332.08475	28.6
347.22205	15.7
365.23239	55.3
383.24304	35.8
432.85413	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01868	22.8
55.05521	31.1
57.03436	17.4
61.02936	14.1
66.17776	4.2
67.05511	100.0
69.03424	11.3
69.07075	91.0
71.01363	5.1
71.04993	8.3
71.60121	7.8
79.05499	50.4
81.03427	26.0
81.07059	67.2
82.07372	4.7
83.04987	11.5
83.08630	17.6
85.02917	22.8
85.06516	7.1
91.05489	63.0
93.07056	52.9
95.04980	20.6
95.08611	59.4
97.02914	10.6
97.06522	30.1
97.10181	11.7
99.04436	4.8
105.07036	42.2
106.14326	4.3
107.04950	12.5
107.08604	32.6
109.02881	8.3
109.06536	7.1
109.10168	37.4
117.07021	20.9
119.08582	36.7
121.06528	6.7
121.10143	15.9
123.08069	6.7
125.09637	8.3
127.03942	12.5
129.06967	8.6
131.08597	29.0
133.10126	31.3
135.11711	16.2
137.09624	15.7
143.08569	6.0
145.10146	20.0
147.04439	5.9
147.08064	7.3
147.11703	16.7
149.09648	21.3
151.11221	5.4
157.10201	7.4
157.53781	5.8
159.11708	16.1
161.09587	5.9
161.13301	10.3
163.11208	11.6
171.10255	12.0
171.11653	8.1
173.11752	22.0
173.13249	10.7
177.12726	6.1
178.79980	4.7
179.14285	8.0
184.07367	8.2
193.12306	5.4
229.14374	35.8
229.19481	6.0
239.18033	10.6
247.20691	7.0
255.08861	5.7
257.19070	13.0
271.15271	7.4
275.20081	54.7
291.19699	6.2
293.20956	8.4
349.23709	88.1
365.23297	7.8
367.24881	14.2
383.24356	4.3
419.24371	7.6
437.25275	6.4
580.33630	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	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01879	8.0
55.05513	15.6
57.03436	14.0
57.07072	0.8
59.04982	1.2
61.02931	7.3
65.03940	2.5
67.05505	51.8
68.05035	0.6
69.03426	6.0
69.07069	44.6
71.01355	1.2
71.04996	5.3
71.60680	0.7
73.02903	2.7
73.06531	0.8
75.04456	0.5
77.03922	0.9
79.05495	28.8
81.03418	7.2
81.07057	40.8
83.04977	5.4
83.08617	8.4
85.02911	8.4
85.06529	3.3
91.03972	3.8
91.05480	29.5
93.07044	27.5
95.01313	1.0
95.04397	0.3
95.04974	8.1
95.08608	31.0
97.02909	5.2
97.06532	16.6
97.10163	5.9
99.04459	1.0
99.08092	1.4
101.05978	0.6
102.26653	0.5
103.03947	3.0
103.05483	1.0
105.07030	26.9
107.04964	8.0
107.08599	17.2
109.02888	0.9
109.06503	4.1
109.10157	30.4
111.04421	1.1
111.07400	0.7
111.08080	4.6
113.05989	0.6
113.09618	0.7
115.05440	1.0
116.53818	0.5
117.07023	9.9
117.55347	0.4
119.08577	21.9
121.06505	3.7
121.10147	12.0
123.08052	5.4
123.11699	3.2
125.05978	0.7
125.09641	6.5
127.03913	2.2
129.05461	1.5
129.06998	4.1
131.08569	13.4
133.06531	1.1
133.10126	18.8
135.08052	4.2
135.11699	9.0
137.09621	9.9
139.07562	0.6
139.11200	1.4
141.06995	1.9
143.07005	0.8
143.08537	2.7
145.04979	0.9
145.06470	1.9
145.09023	1.1
145.10130	13.8
145.11281	0.8
146.10812	0.6
147.08047	1.2
147.11684	9.2
149.09624	14.3
149.13226	3.6
151.11165	3.5
152.55309	0.5
153.09102	0.8
155.08594	1.2
155.10681	2.1
157.08710	0.7
157.10138	4.0
159.08099	0.7
159.11699	11.0
161.09605	1.8
161.13220	6.7
163.11186	8.2
163.14786	0.6
165.09254	1.0
165.12665	0.7
167.07082	0.8
167.10782	0.7
169.10121	2.9
169.12253	0.8
171.10170	10.3
171.11678	3.9
173.04520	0.7
173.09560	0.7
173.11739	12.0
173.13271	4.5
175.11191	1.9
177.05440	0.7
177.12744	3.1
179.10687	0.9
179.14345	5.1
181.12164	0.7
181.67387	0.5
183.11708	2.4
185.13243	1.1
187.11237	2.5
187.13248	1.5
187.14803	0.9
189.11224	1.8
189.12755	1.2
191.14319	1.1
193.12305	0.7
195.13791	1.2
197.13263	1.3
199.13264	0.7
199.14906	0.9
201.12849	1.0
205.12202	1.0
211.15030	0.6
213.16454	0.6
215.14232	0.6
215.17949	1.0
223.13266	1.7
227.12706	1.3
229.14348	31.8
229.19260	2.6
233.15211	0.6
233.19034	0.8
239.18008	3.5
241.14169	0.6
243.15886	6.6
245.13785	0.6
247.20622	3.5
251.20146	1.0
253.18004	6.0
255.15810	3.3
257.19049	8.2
265.21808	0.8
269.17517	2.0
271.15475	2.8
273.18500	2.0
275.20062	35.5
291.19547	4.9
293.21152	4.0
297.16977	1.3
311.22369	0.8
321.24252	0.9
339.25296	0.7
348.22913	1.2
349.23734	100.0
350.24042	1.3
365.23331	1.1
367.24768	12.1
383.24261	3.0
418.23294	0.7
418.28088	1.3
580.33374	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	579.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11635	1.3
51.75990	1.0
53.03942	3.8
55.01856	3.3
55.05513	11.7
57.03441	6.6
57.07067	4.1
65.03925	1.4
67.05507	67.4
69.03428	2.6
69.07076	11.7
70.22378	4.8
71.04981	4.0
71.08621	2.1
73.02917	3.8
77.74365	1.1
79.05499	33.7
79.05960	2.1
80.18369	0.9
81.03423	6.4
81.07061	77.2
83.04974	1.5
83.08627	6.7
85.02894	3.1
85.06524	3.2
90.77324	1.1
91.05483	20.1
93.06465	2.3
93.07049	45.5
95.04970	3.7
95.08613	54.0
97.02884	2.0
97.06530	3.9
97.10168	4.0
98.98463	5.8
99.04436	2.8
99.08082	2.1
105.07040	15.7
107.04999	0.9
107.08606	33.7
109.02889	7.1
109.06538	1.7
109.10159	36.7
110.03633	3.3
111.04456	4.4
111.08056	1.1
113.09653	1.1
117.07037	10.0
119.08586	16.3
121.06516	1.4
121.10146	30.9
123.08022	1.5
123.11713	17.3
125.09633	2.3
127.03911	4.0
129.06987	1.6
131.08565	18.6
132.99515	1.5
133.10127	16.0
135.08131	1.0
135.11691	24.7
137.09605	3.5
137.13272	7.5
139.11214	2.1
145.10133	16.6
147.11687	13.2
149.09541	1.2
149.13264	17.2
151.11153	1.5
151.14809	1.8
153.12692	1.1
155.01031	5.5
155.08418	1.0
157.10139	1.5
159.11717	14.8
161.13274	8.8
163.11182	1.7
163.14830	11.2
165.12709	2.1
171.11700	1.1
173.13249	17.6
175.14839	4.2
177.16382	5.6
178.19865	1.0
179.14279	2.6
185.13310	1.1
187.14787	8.8
191.00117	4.0
191.14374	1.1
201.16426	2.9
209.01132	1.2
215.17938	1.2
227.12762	1.7
233.22682	2.8
243.21115	29.6
245.22878	1.5
261.22168	100.0
263.23618	4.1
279.23184	4.5
285.22046	1.3
303.23172	2.1
317.24854	2.3
335.25821	23.1
337.27356	5.0
353.26895	92.5
369.24280	2.3
377.26648	3.3
443.28293	1.4
451.21454	2.7
469.22604	2.0
487.23581	1.5
507.24167	1.8
543.26361	1.7
543.35828	1.4
561.27124	8.8
561.37018	2.5
579.28070	3.3
579.36749	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01874	2.9
55.05510	12.7
57.03424	5.6
57.07065	4.2
60.57524	1.2
65.03938	3.2
67.05505	76.5
69.03425	4.7
69.07075	12.8
70.03804	3.0
70.04208	4.1
71.04979	3.3
71.08626	1.3
73.02908	4.0
75.04500	1.4
79.04163	1.1
79.05497	35.4
81.03431	7.0
81.07058	83.2
83.04971	3.2
83.08647	7.1
85.02878	4.0
85.06538	2.8
91.05476	17.2
93.07043	49.0
95.04937	4.0
95.08607	63.2
97.02887	2.7
97.06516	2.6
97.10159	5.2
98.98454	8.4
99.04433	3.7
99.08089	2.7
105.07035	15.7
107.08594	36.4
109.02916	8.6
109.10157	39.1
110.03680	3.4
111.04441	3.5
111.08023	2.3
111.79394	1.1
113.09660	1.9
117.07007	11.8
119.08591	16.2
121.09314	2.6
121.10145	31.1
123.08046	1.5
123.11708	21.3
125.09579	1.4
127.03916	3.7
131.08559	18.0
133.10129	16.6
135.11684	24.2
137.09636	2.0
137.13243	7.9
145.10117	16.9
147.04454	1.4
147.11678	9.6
149.13258	20.0
151.11188	2.6
151.14848	1.6
153.12740	1.7
155.01010	8.3
157.10104	1.7
159.11691	14.6
161.13269	9.9
163.11230	2.9
163.14841	14.0
165.12772	3.8
171.11761	1.6
173.13271	15.4
175.14835	4.3
177.16370	5.7
179.14284	1.8
185.13261	1.2
187.14795	9.1
191.00012	3.5
191.14320	1.8
199.14685	1.6
201.16341	2.1
219.17599	1.2
229.14323	1.3
233.22641	3.8
243.18745	2.4
243.21082	28.3
261.22150	100.0
262.22372	3.0
263.23618	3.7
277.21683	1.5
279.23047	5.9
303.23148	1.7
317.06412	2.0
317.24835	1.4
335.25775	26.7
337.27502	7.5
353.26883	89.1
354.27161	1.6
369.24347	2.0
377.26755	2.0
443.27600	2.3
451.21436	1.4
469.22882	2.3
543.26233	1.9
561.27222	9.9
561.36328	2.4
579.27924	2.4
579.36389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01873	2.2
55.05518	8.4
57.03427	4.3
61.02936	2.0
67.05513	17.4
69.03416	2.0
69.07078	9.0
69.54475	5.5
69.54900	3.0
71.04993	7.2
71.08630	1.2
79.05054	1.5
79.05497	18.2
81.03438	5.8
81.07063	47.1
83.04968	3.0
83.08626	8.4
85.02906	2.7
85.06537	2.3
91.05484	14.4
93.07051	16.1
95.04970	5.8
95.08609	14.1
97.02877	1.2
97.06539	4.2
97.10185	1.2
99.08099	2.1
105.07035	13.0
107.04940	3.9
107.08602	9.8
109.02882	1.5
109.06525	20.2
109.10153	6.2
111.04432	4.0
111.08109	2.5
113.09630	1.6
114.59645	0.9
117.07022	3.8
118.22940	1.0
119.08598	11.4
121.06492	2.2
121.10161	9.7
123.08090	4.2
123.11730	3.0
125.09624	1.3
131.08572	8.0
133.06511	1.4
133.10136	9.8
135.08051	3.1
135.11691	4.4
137.09633	2.1
143.08556	1.2
145.06506	1.0
145.10103	7.0
147.08041	1.5
147.11711	9.5
149.09628	4.1
149.13275	3.3
151.11195	2.2
157.10143	2.3
159.11699	3.0
161.09602	1.1
161.13315	2.1
163.11198	5.2
163.14824	2.8
165.12781	1.9
171.11755	1.9
173.13313	2.6
175.11273	1.8
177.12666	1.4
179.14313	1.6
191.10786	1.2
193.12276	1.3
199.34164	1.2
229.19543	1.7
247.20602	3.2
257.19016	2.3
261.22220	1.3
275.20081	25.5
278.22137	1.4
293.21033	2.8
307.22498	2.4
349.23758	100.0
353.26813	1.9
367.24744	5.7
381.26379	37.1
513.40015	1.1
560.36267	1.6
578.37720	1.9
594.11206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.21930	0.2
58.61354	0.2
59.04988	0.3
67.05482	0.6
69.03415	0.8
69.79988	1.8
70.06576	0.5
73.02915	0.4
79.05482	0.3
81.03407	0.9
81.07040	0.9
83.04976	2.7
85.02907	1.8
91.05471	0.6
93.07030	0.4
95.08598	0.6
97.02878	0.7
98.97531	0.3
105.07018	0.4
107.08598	0.5
109.02880	0.6
109.10167	0.4
118.18688	0.3
119.08588	0.6
123.08085	0.3
127.03902	0.9
131.23695	0.3
133.06432	0.3
133.10060	0.3
137.02306	1.9
139.03920	0.3
145.04991	0.5
147.04408	0.7
153.01804	0.7
153.05452	0.3
167.07074	0.7
171.02856	0.5
172.05244	0.3
175.03802	0.4
177.05440	0.5
179.05360	0.3
180.01672	0.3
181.04984	0.4
187.06084	0.3
204.04251	0.7
207.06543	0.8
227.09010	0.3
228.04181	1.5
229.05000	0.8
237.18428	0.5
245.04572	0.6
251.38054	0.3
256.03812	0.6
257.04483	1.0
273.04007	0.6
274.04727	2.6
285.03979	1.3
286.04840	1.3
301.03452	7.1
301.07086	2.8
302.04227	32.4
316.05823	0.6
317.06570	100.0
318.07019	0.5
331.08203	1.4
351.19687	0.7
399.21722	0.9
421.24554	0.4
527.22687	0.3
561.15955	5.1
578.41870	0.6
579.16553	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	578.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01862	2.2
55.05512	8.2
57.03427	2.3
59.05007	0.9
61.02917	2.0
67.05499	9.4
68.06419	0.7
69.03426	2.9
69.07067	8.8
71.05025	0.8
71.25938	1.5
73.02917	1.1
79.05492	11.4
81.03416	4.7
81.07066	16.3
83.04993	4.3
83.08613	4.2
85.02921	4.2
89.31181	0.8
89.96174	0.8
91.03929	1.0
91.05473	9.2
93.07048	10.2
95.04984	4.0
95.08591	5.3
97.02880	2.1
97.06527	2.9
97.10172	6.1
99.00805	1.3
99.05614	0.8
105.07034	5.5
107.04953	3.3
107.08588	8.5
109.02866	2.8
109.06506	4.2
109.10156	3.0
111.04439	2.6
111.08073	1.5
112.95735	0.7
114.10273	0.9
117.07006	3.5
119.08566	8.1
121.02843	0.8
121.06535	3.9
121.10136	3.6
123.04469	1.8
123.08035	2.3
123.11731	1.1
125.09621	5.4
127.03914	1.1
129.07001	1.4
131.08549	3.2
133.06456	2.0
133.10147	6.8
135.08069	9.7
135.11705	1.6
137.05962	1.6
137.09601	2.1
139.07558	0.8
143.08560	1.8
145.06444	2.2
145.10092	3.1
147.08008	2.0
147.11760	1.0
149.05989	1.1
149.09634	1.3
151.11200	1.6
153.09134	1.6
153.12776	1.7
157.10139	1.2
159.08084	2.9
159.11707	1.5
161.06079	1.4
161.09627	3.5
163.07552	5.0
163.11201	2.8
173.09607	0.8
175.11128	1.7
177.05501	1.4
177.09065	0.9
179.10703	1.6
187.11206	0.9
189.11192	3.5
189.12686	1.0
191.10672	1.4
193.12247	10.8
207.06596	1.0
209.11679	0.8
224.77994	0.9
227.12828	2.1
243.17590	1.9
259.77084	0.8
261.18613	2.1
271.16962	3.0
283.15479	1.6
289.17999	14.8
307.18973	3.5
316.05713	1.8
331.08005	3.7
363.21646	8.9
381.22717	100.0
382.22849	1.0
459.14597	0.8
543.28699	1.2
551.41681	0.8
560.70319	0.9
594.27124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38334	3.7
52.62215	4.3
53.03944	9.4
55.01863	8.2
55.05312	3.9
55.05512	51.2
55.72764	3.7
57.03424	14.7
57.07063	3.7
59.05001	5.3
61.40429	4.1
65.03913	5.9
67.05169	6.9
67.05502	86.8
69.03426	4.9
69.07059	28.5
71.04987	18.9
71.58575	6.3
79.05488	52.9
81.03422	23.4
81.07059	100.0
83.04972	13.3
83.08617	26.4
85.06519	11.2
91.05460	57.9
91.94339	4.5
93.07040	58.8
95.04978	25.8
95.08050	6.1
95.08607	75.8
97.06539	13.9
97.10175	20.8
99.08115	5.7
105.07024	51.2
107.04924	6.6
107.08584	41.8
109.06491	7.4
109.10152	40.1
111.08038	4.1
117.06993	20.7
119.08574	41.6
121.10158	34.8
123.08048	7.8
123.11689	7.4
125.09656	20.1
129.06998	19.5
129.84521	4.1
131.08575	36.0
133.10158	28.9
135.08017	4.8
135.11671	18.2
137.09683	4.5
143.08575	15.3
145.10149	28.6
147.11685	23.7
149.09666	9.5
149.13220	14.5
153.06984	4.3
155.08531	8.6
157.10075	17.9
159.11688	24.9
161.09558	7.0
161.13226	11.5
163.11159	8.7
171.11676	12.2
173.13254	16.9
175.14841	5.8
177.12775	5.2
183.11700	8.6
183.90381	3.8
185.13202	9.9
187.14713	7.2
189.11087	7.3
193.12294	12.8
197.13261	5.5
203.14359	5.8
209.13257	6.1
227.12750	20.2
254.61615	4.2
261.22101	14.9
267.15897	23.5
275.20013	7.7
289.21747	8.1
291.19574	5.2
293.21231	6.1
301.25305	11.9
335.25659	14.5
384.65585	4.4
387.29083	5.1
417.31497	5.5
435.32486	12.9
453.33594	18.9
471.34680	12.0
509.36130	4.7
527.37354	74.4
545.38452	61.3
554.81989	4.9
559.36578	9.2
569.13239	4.9
577.39508	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01861	6.0
55.05258	3.0
55.05513	40.1
57.03450	14.1
57.07082	6.0
59.04985	3.4
60.67844	2.1
64.85843	2.1
65.03928	4.1
65.07986	2.1
67.05506	94.2
69.03419	5.3
69.07069	30.1
69.72240	5.3
69.72657	10.3
71.04990	16.9
71.08606	1.8
73.06541	2.2
78.65480	1.7
79.05493	63.4
81.03419	26.5
81.07058	100.0
83.04980	9.9
83.08616	21.3
84.95713	1.9
85.02924	2.1
85.06541	9.8
85.12609	1.8
91.05483	60.2
93.07046	72.4
93.60078	2.0
95.04979	17.6
95.08609	64.8
97.06535	9.0
97.10182	21.4
105.07030	60.0
107.04958	5.9
107.08597	43.7
109.06528	6.4
109.10155	35.4
111.08057	5.1
113.62554	2.1
115.05513	3.0
117.07014	24.5
119.08575	43.7
121.06525	5.4
121.10139	40.7
123.08073	6.6
123.11665	10.1
125.09665	15.4
128.06213	2.4
129.06998	18.9
131.08563	38.1
133.06441	1.9
133.10121	31.3
135.08052	5.4
135.11693	18.0
137.09599	4.1
139.11148	2.5
141.07001	5.5
142.07762	2.7
143.08549	18.8
145.10127	35.3
147.11696	29.2
149.09659	10.1
149.13263	10.9
151.11171	2.5
153.12807	2.7
155.08546	8.9
157.10158	16.5
159.08147	2.2
159.11720	22.8
161.13261	13.9
163.11157	4.4
163.14821	4.0
165.12779	4.4
167.08528	2.8
169.10080	10.0
171.11688	18.5
173.11864	3.2
173.13222	13.1
175.11203	5.6
175.14832	8.3
177.12726	4.7
181.10150	3.6
181.12230	3.2
183.11681	8.9
185.13240	9.1
187.14827	8.1
189.11197	11.8
189.16496	2.2
193.12321	10.0
195.11728	6.7
195.13747	4.3
197.13255	6.4
199.13136	2.5
199.14806	6.7
201.12926	2.1
201.16525	3.2
209.13271	2.9
211.14922	4.8
213.14758	3.1
213.16580	2.9
227.12798	19.7
229.14366	4.3
231.17552	2.3
233.15236	2.5
237.16396	3.8
239.16312	5.0
259.20615	4.8
261.22046	9.7
267.15884	34.4
271.20877	2.4
273.22192	2.0
285.22174	7.3
287.20242	2.4
287.23572	2.4
289.21539	6.4
297.22171	2.7
299.23685	4.3
301.20172	2.0
301.25217	14.9
303.23294	5.0
309.22098	2.3
311.23373	2.9
315.22943	2.2
333.24368	4.2
335.25876	24.3
341.24802	3.3
347.26010	2.3
355.26352	2.7
359.25510	3.0
363.25238	6.1
417.31409	6.1
421.26425	2.8
435.27411	4.1
435.32590	19.0
451.93365	2.3
453.33749	20.0
471.34628	14.7
473.33548	3.0
501.35718	2.4
509.36319	10.5
517.38672	3.1
527.37323	90.5
541.68652	2.4
545.38391	90.5
546.38428	2.7
559.40234	15.1
577.40002	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	577.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54612	2.4
53.03934	4.1
54.39380	2.4
54.77474	2.2
55.01882	5.5
55.05518	32.5
57.03450	14.1
57.07078	4.8
59.05003	2.9
65.03958	3.2
65.38442	2.2
67.05509	82.8
69.03429	4.5
69.07072	25.1
70.07448	11.8
71.05000	17.6
78.55364	2.1
79.05499	51.5
81.03426	22.0
81.07062	100.0
83.04975	8.0
83.08622	21.7
83.82829	2.7
85.06551	6.9
91.05483	50.8
91.06009	4.1
93.07049	62.5
95.04962	16.9
95.08612	54.1
97.02928	3.2
97.06529	11.8
97.10188	18.1
99.08105	2.9
103.05471	2.9
105.07034	45.4
107.04995	2.4
107.08598	39.3
109.06533	7.6
109.10166	34.2
111.08101	6.6
115.05494	2.8
117.07024	20.0
119.08586	41.9
121.06509	3.2
121.10144	30.5
123.08067	5.8
123.11720	10.5
125.09666	14.2
128.06244	3.3
129.07008	16.0
131.08569	32.2
133.10124	30.3
135.11711	20.1
137.09647	3.1
137.13260	3.1
139.11197	4.2
141.06999	3.3
143.08578	14.6
145.10129	29.7
147.04442	2.8
147.08072	3.6
147.11710	23.7
149.09608	6.0
149.13286	9.6
155.08600	9.0
157.10098	14.2
159.11723	20.3
161.13286	10.7
163.11230	3.6
163.14886	3.4
165.12733	4.5
169.10165	8.7
171.11728	10.7
173.13240	15.2
175.11241	6.0
175.14848	7.3
183.11636	6.0
185.13293	8.2
187.14877	8.4
189.11247	7.9
189.16512	3.5
193.12244	8.7
195.13745	2.4
197.13412	5.3
199.14896	5.5
201.16489	3.2
207.11786	2.8
227.12805	19.1
239.16428	3.7
261.22226	8.0
267.15894	28.4
285.22159	6.9
289.21729	5.0
301.20007	3.8
301.25284	13.2
303.23297	6.0
311.24039	2.7
327.23071	3.3
335.25931	17.3
343.22992	3.0
345.24561	2.7
363.25293	8.1
373.27478	3.4
417.31558	5.5
435.27408	5.0
435.32568	20.9
453.33722	20.0
471.34714	9.1
509.36337	10.2
519.37030	4.0
527.37421	85.7
542.63281	2.5
545.30444	4.7
545.38440	68.8
546.38751	4.2
559.40143	17.1
577.37610	25.6
577.49530	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	577.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01865	3.7
55.05511	11.5
57.03452	6.5
57.07061	3.1
67.05508	25.3
69.03442	7.3
69.07072	9.0
69.53518	7.5
69.53928	1.7
71.05003	3.7
73.02922	6.2
79.05495	33.3
81.03424	8.7
81.07060	28.9
83.04993	4.5
83.08626	8.1
85.02914	5.5
85.06562	2.2
91.05484	35.0
93.07047	41.6
95.04980	6.9
95.08604	23.1
97.02831	1.3
97.06539	3.4
97.10172	4.5
98.20745	2.3
99.04458	4.6
99.08076	3.2
103.84383	1.0
105.07032	33.8
107.04945	1.9
107.08596	24.6
109.02901	10.8
109.06532	2.0
109.10172	7.4
110.03671	2.7
111.04457	5.6
111.08099	2.2
113.09618	1.3
117.07024	8.6
119.07790	2.1
119.08586	29.9
119.09435	1.4
121.10146	18.9
123.08057	2.5
123.11700	2.2
125.09660	1.7
127.03902	4.5
129.07033	6.5
131.08560	14.8
132.99538	2.4
133.06560	1.1
133.10138	30.8
135.08115	1.3
135.11708	22.4
137.09665	1.2
139.11119	1.3
143.08566	8.3
145.10126	12.5
147.08090	1.4
147.11691	24.9
149.09624	3.9
149.13268	14.9
151.11243	1.9
155.08553	1.7
157.10129	5.8
159.11708	13.7
161.09509	1.6
161.13281	19.3
163.11212	3.8
163.14847	4.1
167.08673	1.2
169.10191	1.3
171.11671	7.4
173.13257	7.0
175.11172	2.0
175.14786	8.9
177.12773	3.2
183.11615	1.5
185.13316	6.0
187.14851	3.0
189.11195	1.7
189.12727	1.3
191.00172	3.4
193.12247	2.4
193.15858	1.1
197.53175	1.1
199.14857	4.0
203.14388	1.3
213.16408	1.9
217.15891	1.2
227.12839	1.7
231.21069	3.4
241.19521	22.0
259.20584	58.2
260.20920	1.9
267.15860	2.5
275.20038	4.2
277.21652	9.3
293.20944	1.3
295.22409	1.7
301.21524	2.3
333.24176	10.9
351.25314	100.0
352.25626	2.7
375.25372	1.4
467.21066	2.2
485.22101	1.7
559.25513	4.8
559.35870	3.2
559.57861	1.4
577.26556	5.6
577.37134	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	575.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.7
55.01870	20.8
55.05267	4.0
55.05514	52.6
56.96582	3.4
57.03436	17.5
65.03930	5.3
67.05168	5.9
67.05504	74.1
69.03421	8.7
69.07072	28.1
69.86200	5.2
69.86607	11.9
71.04982	8.3
79.05501	57.7
81.02976	5.7
81.03423	76.3
81.03902	3.7
81.07057	95.4
83.04993	23.6
83.08617	37.7
85.02908	10.6
85.06537	5.8
91.05484	52.4
93.07039	51.6
95.04978	44.1
95.08602	36.5
97.02895	9.3
97.06516	18.7
97.10170	29.3
97.84327	2.9
99.04434	4.3
99.08101	9.1
103.05499	5.3
105.07036	41.4
107.04957	22.2
107.08613	31.7
109.06528	25.3
109.10155	25.9
111.04451	21.6
111.08086	10.6
114.43930	2.4
115.05467	3.0
117.07011	22.7
119.04945	4.4
119.08590	41.4
120.79612	3.0
120.84268	3.0
121.06508	14.4
121.10146	19.4
123.08051	21.3
123.11732	5.4
125.09629	22.1
129.07001	26.8
130.07784	2.6
131.04916	7.3
131.08565	31.7
133.06509	7.9
133.10117	17.6
135.08092	13.8
135.11702	11.5
137.09583	8.0
141.07001	5.4
142.07851	3.2
143.08568	10.0
145.06494	12.2
145.10081	24.2
147.04434	6.5
147.08025	17.4
147.11676	16.3
149.09656	17.1
149.13272	5.1
153.12810	7.7
155.08568	7.9
157.10150	12.0
159.08055	10.6
159.11696	11.9
161.09668	9.2
163.11201	23.4
165.09120	7.0
165.12811	3.3
169.10162	10.8
171.08011	4.5
171.11707	7.3
173.09665	6.1
173.11739	3.9
173.13271	5.5
175.11188	12.0
177.12857	3.7
181.12227	8.6
183.11687	5.9
185.09624	7.4
185.13188	6.7
185.42633	3.6
187.11134	4.6
189.11226	27.4
189.12756	4.0
191.10684	10.6
193.10672	3.0
193.12187	18.3
195.11630	7.2
197.13187	5.1
201.12769	4.8
203.14282	4.3
205.12199	5.3
209.11664	6.1
215.10710	2.9
217.16110	3.3
219.13812	25.2
223.13243	6.7
227.12750	25.4
231.13933	3.6
243.13635	3.5
245.18983	5.5
249.14917	6.6
255.17447	5.6
267.15976	34.7
273.18524	19.7
275.20032	11.4
283.15302	4.8
287.20013	4.0
291.19565	56.0
293.21173	5.2
313.21515	5.7
329.21176	8.3
331.22806	4.5
341.21115	6.1
347.22122	8.6
365.23199	16.4
367.22568	4.1
385.23599	5.4
403.24866	6.5
433.25851	11.3
447.28363	11.3
459.27655	5.0
461.28986	3.4
465.30310	17.2
483.31076	22.1
501.32022	8.3
521.32300	3.3
529.35095	4.9
539.33466	24.9
557.34717	100.0
558.35004	5.8
575.35797	75.1
575.49902	6.6
576.35858	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	574.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60250	1.2
55.01849	1.8
55.05501	4.7
57.03437	3.3
57.06831	2.2
57.07082	30.5
59.19807	1.3
67.05505	11.8
69.07070	7.3
70.69829	2.6
71.08630	29.8
74.13946	1.4
75.04480	2.9
79.05482	2.1
81.03406	2.9
81.07063	15.2
83.08616	10.9
83.14742	1.3
85.10176	17.6
89.05975	1.6
91.05498	2.5
93.07023	2.4
95.08609	18.9
97.10159	5.7
107.08559	1.4
109.02885	2.4
109.10169	9.3
111.11697	1.4
121.10232	2.0
123.11712	4.5
127.03914	1.9
137.13338	1.2
156.44493	1.3
191.00169	1.9
221.22649	2.7
239.23709	27.3
243.26514	1.3
257.24716	3.8
284.92923	1.4
312.42307	1.7
313.27374	100.0
331.28461	18.3
441.10864	1.4
505.45868	1.6
539.28711	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	575.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73446	0.4
56.56497	0.4
57.07062	0.4
58.21420	0.4
67.05490	0.5
67.77576	0.4
69.03424	0.5
70.06582	1.3
70.10867	1.7
71.04994	1.4
73.02931	0.5
79.05496	0.4
81.03417	0.8
81.07055	0.7
82.57520	0.3
84.04449	0.4
85.02913	1.5
91.05475	4.7
93.07043	0.8
98.20865	0.6
100.11281	0.5
105.06992	0.6
109.02888	0.7
137.06021	0.4
146.09654	0.7
147.04466	0.6
159.00539	0.5
159.11832	0.5
163.03911	0.6
167.07007	1.0
177.05482	0.8
185.04271	0.6
210.14980	0.6
240.37479	0.4
249.05258	3.9
267.06256	2.1
296.15082	0.4
321.05847	2.8
331.09998	8.6
347.09674	0.6
349.11099	4.6
375.13388	0.5
449.10699	0.6
467.11682	6.7
531.19031	2.0
575.17346	100.0
576.17493	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17968	1.3
53.03947	4.9
54.09621	1.5
55.01884	11.0
55.05512	15.3
57.03425	6.1
57.07069	2.7
59.05002	1.5
59.43042	1.3
61.02906	2.3
65.03957	2.3
65.40244	1.3
66.72688	1.2
67.05504	32.8
69.03432	15.0
69.07075	25.3
69.39960	10.6
69.40375	2.5
70.04286	1.3
71.04984	4.2
71.08640	1.5
73.02923	12.2
74.44846	1.4
78.59463	1.5
79.05492	27.7
81.03422	17.4
81.07060	43.5
83.04984	8.9
83.08626	8.7
85.02892	5.4
85.06509	3.3
90.24745	1.3
91.05483	36.4
93.07044	24.4
95.01340	4.1
95.04965	12.7
95.08606	23.7
97.02879	3.1
97.06534	17.5
97.10139	4.5
97.78585	1.5
99.04454	5.4
105.07035	43.4
107.04954	14.3
107.08607	15.2
109.02887	15.8
109.06532	5.5
109.10182	7.1
110.03666	3.0
111.04458	12.8
111.08049	3.6
113.93607	1.4
115.05440	1.7
117.07028	7.7
119.08585	21.8
121.06495	4.3
121.10152	9.3
123.08089	4.0
123.11707	2.1
123.16030	1.5
125.09632	3.1
127.03912	6.3
129.07030	4.2
131.08562	17.8
132.99579	5.2
133.06548	2.7
133.10129	26.8
135.08072	4.1
135.11713	5.6
137.06070	1.5
137.09624	2.2
139.07584	2.6
141.06985	1.9
143.08536	3.6
145.06430	2.8
145.10115	14.4
147.11723	10.0
149.09633	8.5
149.13261	2.9
151.11165	2.6
157.10120	5.0
159.08130	2.3
159.11707	8.4
161.09633	2.4
161.13274	4.7
163.11172	6.2
165.09116	1.5
169.10106	3.4
171.11726	2.9
173.13255	4.8
175.11217	1.7
177.12749	2.8
179.14328	13.3
183.11694	2.4
187.11160	4.4
189.11179	1.8
191.00092	2.5
193.12228	2.1
197.13298	2.8
205.12334	1.5
209.11717	2.9
211.14862	2.1
219.13721	2.9
227.12831	2.9
239.17961	2.2
241.14465	2.3
247.20511	2.2
257.19003	6.7
267.15860	1.9
273.18411	1.8
275.20062	100.0
291.19739	1.8
293.21127	9.0
321.06351	1.4
331.22623	1.6
347.21939	1.7
349.19751	2.3
349.23792	28.1
351.75699	1.7
379.66840	1.4
425.27158	1.5
447.28952	1.5
465.29630	2.2
483.31314	2.0
539.33466	1.7
557.34784	8.4
574.48413	1.7
575.25952	15.3
575.34186	12.8
575.50079	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	575.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.5
55.01881	5.6
55.05515	8.2
57.03444	4.4
57.07058	1.4
58.91718	0.5
61.02900	0.9
65.03922	1.1
65.78237	0.5
67.05508	16.9
69.03436	11.5
69.06734	0.5
69.07071	8.1
70.24078	1.5
70.24477	0.9
71.04967	1.8
71.08598	0.9
73.02924	9.5
79.05501	10.3
81.03421	8.5
81.07060	17.1
81.98653	0.6
83.04987	7.0
83.08614	3.3
85.02443	0.7
85.02910	8.6
85.06538	0.7
86.09689	0.7
91.05482	13.6
93.03397	0.6
93.06492	0.8
93.07052	15.6
95.04442	0.6
95.04975	5.2
95.08068	0.7
95.08612	11.7
97.02886	3.1
97.06508	2.6
97.10152	2.1
99.04456	4.5
99.08031	0.6
105.07038	15.7
107.04963	4.8
107.08603	11.8
109.02885	12.9
109.06533	7.4
109.10155	4.2
110.03632	2.2
111.04451	11.9
111.08045	1.8
113.09556	0.5
115.05418	0.8
117.07010	5.1
119.04865	0.8
119.07704	0.5
119.08569	11.1
121.06509	7.5
121.10149	6.5
123.04388	0.9
123.08093	3.3
123.11669	1.6
125.09592	1.4
127.03923	6.7
129.07011	3.0
131.08578	12.2
131.25795	0.6
132.99586	4.4
133.06508	2.7
133.10133	9.8
135.08064	3.5
135.11694	3.6
137.05959	1.2
137.09590	1.2
141.06906	0.5
143.08568	2.8
144.09258	0.6
145.04909	0.6
145.06465	2.2
145.10133	8.6
147.08049	2.6
147.11699	8.6
149.09634	4.1
149.13222	1.7
151.00587	1.4
151.11150	2.4
152.02020	0.6
155.08536	2.2
157.10150	3.0
159.08037	2.6
159.11711	5.7
161.09602	2.5
161.13284	2.6
163.11191	5.6
169.10086	1.7
171.11697	2.3
172.99123	1.2
173.05878	0.6
173.09595	2.2
173.13306	3.6
175.11218	3.0
177.12810	1.5
179.03365	2.4
183.11728	1.9
185.13278	0.6
187.11165	1.8
187.14836	1.0
189.12643	0.9
191.00090	5.1
191.14308	2.3
193.12173	1.2
197.13286	1.7
199.14929	0.7
201.12717	2.5
201.16399	0.6
207.13782	1.7
209.01173	1.3
215.14316	1.3
215.17967	0.8
217.15952	0.9
219.13785	2.5
229.19519	1.9
233.19002	1.2
239.17935	2.4
247.20638	2.0
257.19012	8.6
265.03754	0.7
273.18634	0.9
275.20087	100.0
276.20435	1.0
293.21127	27.3
315.08640	1.6
315.19608	0.6
349.23761	39.0
360.08502	0.7
367.24939	1.1
377.23578	1.1
391.24890	4.3
433.25806	0.6
449.66635	0.8
449.72781	0.6
457.25632	0.6
459.27374	1.4
539.23065	2.9
539.34192	0.8
557.24036	1.2
557.34778	1.8
575.25244	19.2
575.35431	3.0
575.50494	2.2
604.52588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.05498	7.2
57.07075	30.1
63.24848	2.2
67.05502	13.3
69.07052	5.7
69.87988	2.3
71.08631	40.6
71.58700	4.0
73.06542	8.3
79.02711	2.3
79.05476	7.4
81.07063	12.8
83.08609	5.4
85.10183	31.1
87.04463	6.1
89.06033	100.0
91.05487	4.4
93.07043	7.6
95.04975	5.3
95.08588	4.4
97.10182	3.4
105.07037	6.5
107.07056	4.2
107.08612	3.1
109.10150	4.2
112.27291	2.2
117.09151	8.6
119.08577	5.0
130.08612	4.3
131.08543	3.4
133.08609	59.2
133.10144	4.6
141.16379	5.5
159.11865	2.8
161.11711	2.4
163.11253	2.6
165.09142	2.7
169.52312	2.2
177.11218	26.7
177.32425	2.1
185.19012	5.0
220.12921	2.1
220.74092	2.3
221.13817	6.5
229.21661	14.5
273.24274	7.0
275.19843	2.5
283.17490	3.7
295.22604	2.6
313.27399	3.2
352.04111	2.3
371.22733	3.8
415.25311	4.8
436.90607	2.4
451.30566	2.5
554.38550	3.0
555.41394	15.4
572.39313	18.0
599.55048	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	572.322
Annotation	14-O-Anisoylneoline
Peak:m/z	Relative Intensity
53.03953	1.4
53.27542	1.0
55.05511	3.6
57.07071	1.3
57.66625	1.1
67.05512	10.3
69.03421	2.7
69.07069	2.3
71.08630	1.1
71.34636	2.4
79.05497	6.3
81.03419	5.2
81.07063	10.8
83.08617	1.8
85.02892	2.0
91.05503	6.0
93.07057	6.4
95.04967	2.6
95.08600	6.6
97.02916	2.2
98.73343	1.0
102.54375	1.1
105.07046	4.3
107.04955	11.2
107.08597	4.9
109.02888	2.7
109.06596	1.0
109.10165	3.7
112.11301	1.2
117.07010	1.4
119.08589	3.3
121.02796	1.4
121.06528	1.6
121.10141	1.4
122.06041	1.4
122.09595	1.2
123.11736	1.6
131.08543	2.0
132.04453	2.2
133.06499	3.2
133.10123	2.2
134.06039	4.5
135.08058	1.7
135.11732	1.7
137.13185	1.2
145.06517	1.1
145.10124	3.1
146.06024	11.0
147.11722	1.5
148.07585	1.2
159.11694	1.7
160.07654	2.0
161.13324	1.3
170.06010	4.1
172.07578	11.4
174.05531	11.6
174.09143	3.0
183.06862	3.5
184.07581	11.4
185.08386	2.6
186.09163	3.4
196.07741	1.4
197.08344	2.4
198.09174	5.5
200.10649	1.6
210.09203	3.0
212.10699	2.7
214.12317	4.5
224.10747	2.4
226.12299	4.3
227.13014	2.4
228.13824	2.5
238.12328	1.7
240.13844	1.4
241.21141	1.1
244.00540	1.1
252.13947	1.8
254.15469	4.3
261.22153	2.8
268.16904	1.4
270.14804	1.3
280.17078	1.3
310.17947	1.4
313.27448	1.6
316.07211	1.3
326.17407	1.4
364.26569	1.3
369.24307	1.5
392.25943	6.3
405.26309	1.9
410.26907	4.8
420.23801	1.5
438.25168	2.0
450.28485	4.7
452.28241	3.2
472.90741	1.2
518.28955	2.2
536.30084	12.5
554.31140	17.3
557.74805	1.5
572.32190	100.0
573.32550	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14788	0.2
56.96550	0.4
57.65908	0.3
59.76111	0.2
66.04716	0.2
69.03435	0.4
69.52305	2.3
79.05487	0.7
79.75613	0.2
81.03387	0.3
81.07037	0.3
85.02895	0.6
91.05467	0.8
94.04188	1.0
95.45319	0.3
103.05444	0.5
107.04956	1.1
119.04963	0.3
122.03652	3.1
127.03910	0.3
131.04947	0.7
135.08047	0.4
137.05986	100.0
138.06339	0.8
147.04395	0.4
149.05995	0.3
151.03879	0.3
151.07616	0.4
163.07549	3.6
167.07025	3.2
181.05084	0.4
181.08607	13.9
195.10187	1.0
213.11224	5.1
228.46071	0.3
385.49994	0.3
531.15643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01869	6.2
55.05262	3.2
55.05515	46.2
57.03441	2.7
57.07082	17.5
64.15244	1.6
65.03934	2.6
66.05491	1.4
67.05509	58.0
67.23578	1.5
69.03415	2.6
69.07069	26.0
70.12811	8.1
71.04996	4.6
71.08626	3.3
79.05494	48.2
81.03419	7.3
81.07059	67.9
83.04976	9.8
83.08624	27.6
85.06532	4.4
85.10186	30.4
91.05483	53.0
93.06465	3.1
93.07047	58.7
95.04977	26.6
95.08050	3.1
95.08613	50.6
97.06539	11.7
97.10175	11.2
99.08117	2.4
105.07034	60.0
107.04963	17.6
107.08605	36.7
109.06518	8.4
109.10159	22.5
111.08087	6.8
113.09647	33.9
117.07021	19.0
119.08586	52.7
120.09343	3.2
121.06523	4.9
121.10146	28.4
123.08070	7.7
123.11710	7.3
125.09614	5.2
128.06224	1.9
129.06998	10.9
131.08575	30.9
133.10138	37.9
135.08055	5.8
135.11687	15.6
137.09645	4.2
137.13284	4.6
139.11179	3.3
141.06964	3.6
143.08612	11.5
145.10129	30.0
147.08073	3.9
147.11690	33.1
149.09618	24.3
149.13280	9.4
151.11154	6.9
151.14861	1.6
155.08563	6.2
157.10132	12.4
159.08081	1.9
159.11702	17.5
161.09647	4.1
161.13275	17.1
163.11183	29.7
163.14825	4.9
165.12762	43.5
169.10109	8.4
171.11702	11.2
173.09604	2.4
173.13235	12.3
175.11208	6.1
175.14819	6.6
177.12773	4.2
179.14346	3.5
181.10176	3.1
181.12250	3.3
183.11678	5.8
185.13316	8.4
187.11110	1.9
187.14870	4.4
189.11234	2.8
189.12823	2.5
189.16417	1.9
191.14334	2.6
195.13681	2.1
197.13258	7.5
199.14815	5.5
201.16470	2.1
205.12273	2.4
207.13884	2.1
209.13202	2.3
211.14967	2.6
213.16550	2.5
215.14348	2.6
215.17732	2.3
221.15433	4.0
223.13234	10.3
229.19522	1.8
231.21143	2.5
233.15329	2.3
235.17050	1.7
239.18069	8.0
241.19481	4.4
247.16939	1.9
257.18954	11.6
259.20551	11.5
261.22089	4.1
275.20081	100.0
276.20972	9.3
277.21640	65.2
279.23138	8.7
293.21140	15.6
295.22711	53.6
301.21600	3.9
303.23264	4.0
315.23276	1.8
318.07208	1.9
329.24841	2.1
345.28073	3.7
411.32867	2.5
423.32718	4.4
425.34064	4.3
441.33698	6.2
443.35321	5.8
445.33264	4.4
459.34650	2.3
517.40466	5.3
535.41608	8.0
553.42615	27.9
566.91431	2.0
571.43524	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	571.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
60.92390	0.3
62.71885	0.3
63.03893	0.3
67.05500	0.6
69.07038	0.4
69.38894	2.0
69.39309	1.1
70.06573	0.4
79.05502	0.7
81.07084	0.5
86.30228	0.4
91.05473	0.8
93.07046	0.6
97.06548	0.4
98.20781	0.7
107.08626	0.5
119.08604	0.4
147.68761	0.4
169.97873	0.4
203.05312	0.7
259.07925	1.2
259.14310	0.4
267.56870	0.4
353.21896	0.5
409.25479	2.9
457.20523	1.2
471.22321	1.0
571.30853	100.0
572.31213	3.4
599.07813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08721	24.4
54.00891	25.7
55.05520	58.5
57.02321	21.7
65.64491	26.9
67.05489	57.3
67.78119	25.0
70.18142	75.1
70.18549	44.8
79.05472	64.3
81.07043	100.0
83.08585	33.2
91.05478	53.7
93.07049	54.6
95.08596	54.2
105.07019	52.1
105.48582	28.4
107.08585	52.2
107.60742	27.5
109.10159	33.8
119.08563	37.5
121.10153	50.0
128.67014	25.6
133.10126	48.3
143.08493	29.7
145.10123	28.3
147.11664	36.4
196.27470	25.7
275.20078	83.8
277.21600	39.3
290.22485	25.9
293.21118	27.8
295.22733	35.6
319.63986	28.8
347.44678	28.9
545.27783	25.9
571.42621	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	570.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51340	0.3
57.03439	0.4
65.11204	0.3
69.03406	0.4
69.76257	0.3
69.76560	2.0
70.06581	0.4
75.19941	0.3
79.05526	0.5
83.23666	0.3
84.04557	0.4
85.02890	1.3
91.05453	0.7
98.20810	0.4
100.11217	0.3
101.41090	0.3
103.72856	0.3
115.05437	0.6
117.07014	0.4
123.11677	0.3
127.03913	0.4
128.06232	1.0
129.07019	4.2
131.04921	0.9
131.08571	4.7
137.05983	1.2
141.06996	3.3
143.08580	0.4
145.02899	0.6
145.06456	0.9
146.07251	0.5
151.03932	0.3
157.06509	3.8
158.07312	1.9
159.08078	5.2
160.05193	0.4
161.06004	0.5
161.09662	0.5
163.07469	0.7
167.07083	0.4
169.06500	2.7
170.07283	1.4
171.08023	0.6
174.06778	10.0
175.07570	2.8
175.14841	0.6
177.05486	1.0
181.04942	0.5
186.06773	2.4
188.08318	0.7
189.09116	23.9
190.09422	0.4
191.10684	1.8
201.09128	8.6
203.10709	1.3
207.10191	0.7
219.10178	100.0
220.10493	2.2
237.11139	2.9
348.17834	0.3
388.20004	0.3
405.28705	0.3
442.47513	0.4
472.48135	0.3
492.98099	0.3
570.45587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77682	0.4
53.44883	0.4
55.01838	0.4
57.03425	0.8
61.02909	0.9
62.86422	0.4
67.05500	0.7
68.40948	0.4
69.03423	1.7
70.06585	2.3
71.04967	0.6
71.57389	0.6
81.03392	1.3
81.07029	0.7
84.08177	0.6
85.02905	4.4
86.09734	0.4
91.03962	0.6
91.05491	2.2
93.07016	0.5
95.04943	1.0
95.08612	0.9
97.02882	1.8
99.04468	0.7
99.44302	0.5
103.05504	0.6
105.07022	0.9
107.04951	1.8
109.02885	0.9
109.10146	0.7
115.05429	0.9
115.78038	0.5
116.07083	0.7
120.08062	1.1
121.02866	0.8
121.06492	1.3
123.04461	0.8
127.03891	1.5
128.06207	1.0
129.07016	6.5
131.04938	1.5
131.08575	6.5
133.06519	0.5
136.07553	0.7
137.05975	3.0
138.54022	0.4
139.04012	0.6
141.07004	4.7
145.02812	1.4
145.04944	1.0
145.06464	1.0
146.07199	0.5
147.04414	0.6
149.06010	0.9
150.25690	0.4
151.03973	0.6
151.07552	1.5
153.05473	1.0
157.06505	6.1
158.07265	2.5
159.08073	6.2
160.05176	1.1
161.06015	2.4
161.09619	1.1
163.03914	1.0
163.06238	0.4
163.07578	2.1
165.06976	0.5
165.68367	0.5
167.07057	8.5
167.08453	1.0
169.06369	2.6
170.07272	1.3
173.09525	0.5
174.06770	12.2
175.07561	3.6
175.11877	1.3
177.05505	3.2
177.09084	0.8
180.08705	1.5
181.04959	0.4
181.08592	6.8
186.06760	3.5
187.07553	0.9
188.08388	0.7
189.09120	26.8
191.07037	1.1
191.10732	2.3
193.08525	0.7
201.09131	8.6
207.06520	0.5
207.10139	1.4
219.10170	100.0
220.10474	1.2
225.09091	1.1
237.09103	0.6
237.11267	0.8
243.10966	0.8
249.11090	1.2
251.09148	1.8
253.08548	1.0
257.11743	0.9
279.10159	0.6
283.09644	0.9
285.11151	1.6
289.58395	0.5
297.11133	0.6
307.34848	0.5
311.12982	0.7
315.12357	1.7
317.13791	2.5
343.15396	3.6
361.16458	24.2
373.16489	0.5
374.29373	0.5
395.61743	0.5
570.27216	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07001	1.6
55.05502	3.1
57.03434	7.2
60.13450	1.7
67.05486	3.3
68.28953	1.8
69.03449	4.8
70.06586	3.5
71.01349	2.0
71.05000	55.3
71.30106	2.5
71.30427	1.8
73.09547	1.8
75.04476	2.4
79.05498	3.1
81.03432	2.5
81.07070	5.4
83.04992	7.2
85.02911	74.2
86.09738	1.9
87.04495	2.0
91.05489	100.0
95.04948	2.3
95.08639	2.0
97.02910	5.7
99.04494	2.1
105.07050	5.6
107.04951	5.1
108.43922	1.7
109.02890	3.1
109.10168	3.4
111.04452	4.4
117.64323	2.1
118.04163	3.2
119.04976	4.3
127.03890	4.5
129.02943	1.8
129.05490	35.1
133.06500	4.7
133.10100	2.1
137.06001	5.9
145.04985	2.9
147.04474	3.1
147.06529	14.2
153.01857	2.8
167.07077	4.3
170.83696	1.8
171.02948	2.0
175.04054	2.7
184.07344	3.4
193.08635	29.9
207.06564	4.6
245.08092	7.0
328.13831	2.5
355.12088	2.1
408.12396	4.1
452.81070	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01855	0.7
57.03430	0.9
61.02924	1.2
61.11321	0.5
63.87394	0.5
67.05495	0.9
69.03412	2.5
70.06582	2.6
71.04983	1.0
71.34039	1.1
76.10010	0.6
79.05476	1.8
81.03409	1.4
81.07065	0.8
84.08164	0.6
85.02915	7.6
86.09699	1.5
91.03976	0.8
91.05487	4.4
93.07041	2.6
95.04941	1.8
95.08651	1.0
95.40682	0.7
97.02885	2.4
99.04440	1.1
103.05442	1.9
105.07015	2.5
107.04945	4.8
109.02889	1.0
109.06512	0.6
110.58845	0.6
111.04447	0.7
115.05437	1.6
117.03307	0.8
117.07011	1.2
119.04945	0.8
120.08096	1.0
121.02890	1.3
121.06528	3.3
123.04462	1.7
124.05267	0.7
125.05984	0.9
127.03902	1.8
128.06226	1.2
129.07016	10.0
131.04916	2.1
131.08568	8.3
133.02847	0.6
133.06439	1.5
133.10150	0.8
135.08070	1.0
137.05974	5.6
141.06972	4.1
143.04919	0.7
144.05687	1.0
145.02861	3.1
145.04955	2.0
145.06461	1.2
147.04434	0.9
149.05994	2.0
151.03909	0.9
151.07556	4.6
153.05455	2.6
157.06528	8.5
158.07285	2.1
159.06979	0.7
159.08083	6.4
160.05246	1.0
161.06009	7.2
161.09615	2.5
162.03174	0.8
162.07756	0.6
163.03911	1.3
163.07561	5.0
165.06935	0.9
165.09117	1.6
166.06342	1.2
167.07056	19.4
167.08319	0.7
169.06488	2.5
170.07256	1.1
173.06082	0.5
173.09692	0.6
174.06781	14.1
175.07573	5.5
175.11938	1.5
177.05505	5.6
177.09142	2.3
179.06979	1.3
180.08708	2.7
181.05122	0.7
181.08615	21.3
183.07979	0.9
186.06776	2.8
187.07433	0.8
188.08304	0.9
189.09126	38.7
191.07031	1.2
191.08652	1.3
191.10670	2.4
193.08554	1.3
195.08076	0.9
197.09608	2.0
201.09161	8.5
207.10034	3.4
209.09749	0.7
210.06793	0.9
219.10181	100.0
220.10522	1.4
221.06087	1.2
225.09143	2.4
229.12193	0.7
237.30417	0.6
239.06947	1.0
239.10649	0.6
243.11006	1.3
247.07721	1.1
249.11298	1.5
251.06958	0.9
251.09216	2.6
253.08636	3.1
255.10255	0.9
257.11746	3.3
270.08795	0.6
279.10037	1.0
283.09708	2.1
283.13312	2.5
285.11255	7.9
297.11288	1.1
299.09183	1.1
299.12686	0.8
302.11636	0.8
305.13724	1.3
311.12805	1.9
315.12329	5.0
317.13916	6.7
329.13824	1.0
331.15405	2.1
343.15445	13.0
361.16483	77.7
362.16895	1.1
373.16531	1.3
570.25989	2.2
571.21008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31311	0.6
55.05511	3.5
56.96549	1.1
57.03441	7.5
65.03931	2.0
67.05502	1.6
69.03425	2.8
69.07078	1.3
70.06591	1.1
71.04996	53.0
71.08633	0.9
71.32025	1.5
73.02904	2.2
75.04481	2.9
79.05500	1.2
80.36921	0.7
81.03424	1.1
81.07055	2.1
83.04992	5.1
83.08609	1.0
85.02909	72.6
86.06093	0.9
86.09689	0.8
87.04465	1.9
91.05486	100.0
91.17939	0.8
92.13387	0.6
93.07070	1.2
95.04989	1.9
95.08625	1.8
97.02914	4.6
101.12989	0.6
103.03963	0.8
105.07025	2.6
107.04951	2.7
107.08600	1.7
107.92608	0.6
109.02901	1.5
109.10130	1.2
111.04430	3.6
112.38564	0.7
114.61933	0.7
119.04952	0.7
121.10156	1.0
125.09657	1.1
127.03933	2.5
129.05489	30.9
137.06013	1.2
145.04967	1.5
145.10089	1.3
147.06538	14.1
163.11194	1.0
164.09238	0.9
167.03391	1.7
167.07133	1.2
177.05450	1.2
183.43565	0.7
184.07365	2.1
189.11052	0.7
220.10497	0.7
237.07596	1.1
245.08076	6.2
255.08855	2.8
273.09927	1.6
293.21188	1.6
301.13147	1.6
301.63379	2.2
367.24969	1.4
385.25879	4.9
471.08859	0.8
570.24396	1.0
570.32483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	25.9
67.05504	22.3
69.07078	13.5
79.05505	25.5
81.07045	22.0
83.08649	15.0
91.05491	33.3
92.02801	9.4
93.07047	27.4
95.04990	12.0
95.08598	20.8
101.18868	9.0
105.07025	34.3
107.08606	16.5
109.10191	14.0
119.08582	34.9
121.10143	14.5
131.08583	12.5
133.10167	23.5
141.49274	8.5
145.10112	22.0
147.11707	12.7
149.09608	25.4
150.62602	9.3
163.11191	19.3
229.19536	10.9
275.20029	100.0
277.21646	20.5
293.20950	12.4
321.75586	11.3
569.41870	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	569.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63960	1.7
53.03938	3.7
55.01872	6.2
55.05511	31.6
55.65388	1.8
57.07066	3.3
67.05508	31.5
69.03432	3.0
69.07075	17.7
69.34875	14.8
71.08617	1.7
75.40646	1.6
79.05494	31.3
81.03420	2.5
81.07056	60.4
83.04982	5.3
83.08625	13.8
85.06544	4.3
91.05479	26.7
93.07047	26.3
95.04974	22.2
95.08605	23.0
95.09159	2.1
97.06549	3.0
97.10172	13.8
99.06253	1.8
99.08138	2.1
105.07034	21.9
107.04971	4.3
107.08598	20.3
109.06519	19.9
109.10168	12.1
111.08087	3.4
117.07010	12.5
119.08572	25.3
121.06493	4.2
121.10126	11.8
123.08087	5.1
123.11723	4.2
124.84893	1.8
125.09638	10.7
128.06213	2.4
129.06995	10.8
131.08568	19.3
133.10146	10.6
135.08058	5.8
135.11705	6.0
137.09557	1.8
141.07016	3.2
142.07794	2.8
143.08528	13.1
145.06541	1.9
145.10127	20.9
146.03304	1.9
147.08067	4.7
147.11699	7.8
149.09645	5.2
149.13242	2.0
155.08597	7.1
157.06551	2.7
157.10164	14.6
159.08092	3.5
159.11688	12.4
161.09639	5.3
161.13321	4.6
163.11165	3.6
167.08510	3.8
169.10077	9.2
171.11746	7.6
173.09589	3.6
173.13289	6.9
175.11241	2.3
175.14886	3.7
181.10187	5.4
182.10976	1.8
183.11713	8.1
185.13269	6.2
187.11176	2.7
187.14798	2.6
189.11285	3.9
195.11795	6.1
197.13318	5.1
199.14799	3.9
201.16473	2.2
207.11752	2.5
209.13312	5.8
211.14919	6.4
213.12822	2.9
213.16451	4.9
221.13292	2.0
223.13165	3.3
223.15033	3.2
225.16473	2.8
227.17979	3.4
229.19432	2.8
237.16490	2.3
239.17973	2.5
241.15823	2.0
241.19601	2.5
249.14970	1.9
251.18063	2.8
255.17513	2.2
259.20511	3.0
261.22247	2.6
273.18628	7.2
275.20169	5.6
277.21759	3.5
279.23450	2.3
283.20563	2.1
291.19537	44.7
293.21097	23.1
301.21826	1.8
313.21631	2.0
315.23206	2.6
349.90677	1.9
355.26855	2.2
381.31799	3.0
395.30154	1.7
397.31073	5.8
409.31140	3.2
421.31693	2.1
423.32840	2.9
425.34686	2.5
427.32016	2.3
441.33679	3.6
445.33212	8.3
456.92389	1.7
457.33084	3.4
459.34570	2.7
500.35184	4.4
515.38934	6.4
533.39758	15.6
541.42633	3.7
551.41003	32.2
569.42035	100.0
570.42310	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	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82626	0.5
57.85780	0.5
61.02930	0.7
67.05499	1.3
69.62132	0.6
70.17751	2.4
71.04984	0.6
79.05489	0.8
81.03401	0.7
81.07044	2.0
85.02914	1.0
91.05469	0.8
93.07040	1.1
95.08626	0.6
97.02909	0.7
104.59725	0.6
105.07026	1.7
106.34789	0.6
107.20569	0.6
109.10153	1.1
114.10302	0.7
119.08610	0.8
137.06027	1.1
173.06114	0.6
205.09019	0.7
230.71365	0.6
275.07339	0.7
307.75488	0.7
371.57150	0.6
407.24173	1.1
457.20584	2.7
471.22018	3.9
487.21588	1.0
542.71289	0.7
569.29327	100.0
570.29883	1.4
596.96747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24878	0.3
55.05499	0.5
57.03428	0.3
58.06596	1.5
59.04955	0.3
59.07378	0.8
60.08171	2.7
61.02914	0.3
67.05514	0.6
69.03422	0.3
69.07059	0.4
70.06590	0.3
70.20590	1.1
71.07371	0.8
79.05467	0.4
81.03411	0.5
81.07058	0.7
86.09711	11.6
87.10051	2.5
91.05460	0.5
98.98463	1.1
104.10733	1.4
105.07018	0.4
105.11062	0.4
105.18537	0.3
107.08546	0.7
109.02893	0.4
109.10136	0.5
125.00011	8.3
126.00355	1.0
133.10115	0.3
137.05943	0.5
161.90742	0.3
167.17084	0.3
178.73674	0.3
184.07355	43.0
185.04214	1.1
185.07715	10.1
201.03625	0.7
210.08957	0.6
239.09151	0.6
240.14870	0.3
253.94528	0.3
259.07895	0.5
331.10028	2.5
345.11615	0.6
373.14944	0.5
387.16116	0.8
407.23996	2.2
427.19528	0.5
441.21103	3.0
443.22623	1.1
457.20340	0.5
499.21521	1.6
569.29327	100.0
570.29657	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
53.92978	1.6
55.01866	5.5
55.05259	2.6
55.05511	36.1
57.03437	1.8
62.92664	1.3
65.03937	2.3
67.05167	2.8
67.05508	42.3
69.07072	15.3
69.28396	18.2
71.04983	2.2
72.44224	1.6
73.06572	1.6
79.05494	37.6
81.03407	4.6
81.07059	37.6
83.04971	4.9
83.08625	31.3
85.06547	2.0
91.05485	48.6
93.07043	40.3
95.04974	27.0
95.08604	26.3
97.06519	7.1
97.10163	4.3
98.20737	3.0
103.05457	1.4
105.04509	1.7
105.06384	3.0
105.07038	44.4
107.04956	11.8
107.08588	27.5
109.06522	6.6
109.10170	12.9
111.08112	7.3
115.05448	2.7
116.06168	1.9
117.07027	18.3
119.08579	39.6
121.06507	5.4
121.10158	18.2
123.08087	5.5
123.11705	3.5
125.09645	4.3
125.83755	1.5
129.07045	7.1
131.08583	20.6
133.06500	2.4
133.10143	35.7
135.08061	5.2
135.11688	12.3
137.09637	3.7
143.08539	5.5
145.06480	2.4
145.10133	27.1
147.08043	2.5
147.11691	23.7
149.09618	28.9
149.13306	4.2
151.11183	4.4
155.08589	4.6
157.10088	9.5
159.11676	17.3
161.09669	2.6
161.13272	9.6
163.11179	29.5
165.12811	2.5
169.10175	6.5
171.11705	6.6
173.09668	2.3
173.13287	9.8
175.11273	3.9
175.14755	3.0
177.12776	4.1
183.11687	5.2
185.13203	4.1
189.11171	2.5
191.10648	1.7
193.12241	2.4
195.11752	2.4
197.13275	4.0
199.14870	2.6
201.12732	2.3
205.12315	1.4
211.14812	2.5
213.16388	3.7
215.18076	1.9
223.13237	13.3
229.19470	3.4
235.17038	1.5
239.17935	11.1
241.19572	2.7
242.65897	1.5
247.20607	2.4
257.19003	13.7
259.20621	9.4
271.61670	1.7
275.20068	100.0
276.20871	5.7
277.21664	15.6
293.21173	27.0
301.21661	3.1
302.11392	1.9
346.00714	1.5
399.71088	2.0
441.33722	5.0
443.31360	1.7
533.38770	1.8
551.40997	7.1
569.42151	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	568.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
55.05509	0.3
56.05029	0.5
57.03429	0.3
58.06598	2.2
59.07384	2.1
60.08168	5.4
67.05510	0.7
69.03426	0.2
70.06605	0.3
70.61623	0.5
71.07375	2.5
71.08607	0.2
79.05492	0.4
81.03407	0.3
81.07044	0.4
83.04971	0.2
83.08611	0.2
86.09713	26.0
93.07075	0.4
95.04990	0.2
95.08612	0.3
98.98473	2.4
104.10754	3.8
107.08625	0.3
109.05042	0.2
109.10145	0.4
111.08099	0.2
125.00016	16.9
129.05507	0.2
131.08553	0.2
133.10110	0.2
143.01054	0.3
167.06923	0.2
168.04213	0.2
173.11702	0.2
184.07355	100.0
210.08966	0.9
238.38690	0.2
239.09207	1.4
258.11072	0.2
269.17471	0.2
270.17752	0.2
294.13992	0.5
312.11896	0.3
331.10211	0.5
368.18457	0.2
370.26459	0.2
371.27060	0.4
412.20700	0.4
462.22128	0.3
480.23428	0.3
534.31549	0.4
550.30975	0.5
568.32977	2.7
569.29431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28975	21.0
52.12166	21.2
57.70368	20.5
62.09760	19.0
69.82775	59.5
69.83182	68.4
73.78940	18.1
79.05499	22.5
81.07053	63.4
86.03086	22.8
91.05481	56.5
93.07037	74.4
95.04994	42.5
95.08622	42.7
105.07047	85.0
107.08575	48.3
110.61502	19.8
119.08609	100.0
121.10159	44.4
131.08531	40.7
133.10150	58.9
135.11752	26.5
142.07799	23.2
143.08615	60.0
145.10150	78.6
147.11688	30.5
155.08601	20.0
157.10135	51.4
159.11684	50.2
169.10133	34.5
173.13283	28.4
183.11674	29.3
184.86528	22.1
185.13278	34.2
209.13235	28.7
216.33055	21.8
338.25821	36.2
373.54691	27.2
410.40189	22.0
568.42358	58.8
568.56384	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.1
55.05504	0.3
56.05038	0.5
58.06639	0.4
59.07370	0.1
60.08167	6.3
67.05507	0.2
69.03431	0.1
69.07068	0.1
70.06602	0.2
71.04983	0.1
71.07375	2.8
71.08625	0.1
71.25658	0.2
79.05492	0.2
81.03423	0.2
81.07046	0.2
83.08627	0.2
85.02907	0.2
85.06549	0.1
86.09708	27.5
91.05489	0.1
93.07077	0.1
95.04967	0.1
95.08616	0.1
97.02888	0.1
98.98470	2.4
104.10749	3.3
105.87003	0.1
106.01370	0.1
107.08601	0.2
114.22029	0.1
116.99507	0.1
119.04960	0.1
125.00008	19.9
130.51672	0.1
137.06021	0.1
143.01079	0.3
166.02632	0.2
167.07149	0.2
169.17616	0.1
177.05455	0.2
184.07344	100.0
185.07707	0.2
191.07005	0.1
258.11151	0.2
301.07040	0.2
306.91766	0.1
348.12643	0.1
550.31439	1.8
568.32501	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	568.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01868	1.4
55.05511	11.6
55.15875	0.5
57.03429	1.9
57.07067	0.7
59.04986	1.0
61.02910	2.1
67.05490	2.1
69.03427	6.8
69.07063	1.4
70.06582	1.5
70.85841	1.6
71.04989	2.3
73.02914	1.1
75.24418	0.5
79.05507	1.2
81.03400	2.2
81.07065	3.4
83.04981	12.9
83.08134	0.9
83.08616	10.2
84.04498	1.5
85.02907	30.2
85.06535	1.1
86.09707	0.6
87.04485	0.7
91.03938	1.3
91.05476	1.6
93.07032	2.0
95.04967	6.1
95.08618	2.5
97.02900	8.3
97.06532	2.4
97.10174	2.0
99.04462	3.5
99.05575	2.6
99.08083	0.9
103.03963	0.7
105.07016	2.7
106.35416	0.6
107.04965	1.1
107.08595	5.9
109.02873	2.8
109.06499	3.7
109.10159	6.4
111.04465	0.6
111.08081	3.0
113.05894	0.5
113.29405	0.5
115.07564	0.6
116.98616	0.5
117.07032	0.6
119.08566	1.7
120.08055	0.6
121.10095	3.1
123.04446	0.5
123.08086	0.5
123.11704	2.8
125.09626	3.5
127.03920	7.3
129.57910	0.5
130.04999	1.7
133.10133	6.0
135.08084	3.3
137.05940	1.4
137.09584	1.2
139.11169	0.8
145.03891	1.0
145.04951	12.1
145.06091	3.6
146.76643	0.6
147.04485	0.6
147.11685	2.1
149.09601	0.5
149.13249	1.8
151.11195	15.9
153.09135	3.0
158.10985	0.5
161.05934	0.8
163.06058	5.7
163.07430	0.7
163.14720	0.9
167.07030	1.3
167.14314	21.5
169.12262	0.6
173.13268	2.6
175.14784	0.6
177.03337	1.1
191.14294	6.1
193.44553	0.5
201.30443	0.5
209.15372	100.0
213.00722	0.5
227.16438	10.6
266.62057	0.5
274.10376	1.6
306.07538	0.9
325.11334	2.0
371.20609	0.7
430.11127	0.5
463.98926	0.6
568.22070	0.6
569.19122	0.9
582.14844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.0
55.05518	2.3
57.03431	3.6
57.79359	1.5
63.22271	1.2
67.05505	2.9
69.03426	3.2
70.06586	2.3
70.46839	1.2
71.37038	1.3
71.59897	2.2
79.05492	7.5
81.03424	29.1
81.07051	3.5
84.04543	1.7
85.02903	4.0
86.09706	2.7
89.52832	1.3
89.68752	1.1
91.05495	6.7
93.07054	3.4
95.04975	4.5
95.08626	2.2
97.02885	1.7
97.06525	2.1
98.97566	1.5
100.11246	2.8
103.05466	4.5
105.07037	4.9
107.04962	13.7
107.08607	1.6
109.06557	2.0
111.04432	1.7
114.09225	1.6
115.05434	8.3
117.07016	12.9
121.06519	2.5
123.04420	7.2
124.05216	3.3
124.99989	2.5
125.05989	2.2
128.06238	1.6
129.07004	4.4
131.04915	3.9
131.08568	5.5
131.34911	1.2
133.06482	1.9
137.05989	7.9
141.07028	3.3
142.08627	1.6
144.05714	5.0
145.02835	3.0
145.05316	2.5
145.06474	24.8
145.10132	1.4
147.04416	4.6
147.08023	1.9
149.05992	2.6
151.03917	3.1
151.07523	2.8
152.04628	3.3
153.05481	4.6
154.06281	1.6
155.06010	3.4
155.07109	2.5
156.05730	7.5
157.06487	2.4
159.08072	11.1
160.05225	1.3
161.06027	7.6
163.03862	3.6
163.07564	3.6
165.05429	2.2
167.07047	100.0
169.07600	2.6
172.05252	1.9
173.05984	37.9
174.06778	2.5
175.03885	2.0
175.07602	2.9
177.05484	4.2
178.06227	2.4
179.03448	2.6
179.07054	3.8
181.04980	8.0
182.15482	2.8
183.06615	1.9
184.05263	3.1
184.07339	8.5
187.07527	11.7
190.06258	20.7
191.06987	9.0
193.08600	5.7
195.06541	3.0
199.07581	3.3
202.06262	3.4
203.07079	4.5
204.07846	2.5
205.08604	40.3
207.06555	6.2
207.10120	3.3
209.08087	6.7
210.14960	2.9
211.07567	1.9
215.06943	2.0
217.08611	26.8
219.08229	3.1
219.10197	7.9
220.07310	10.8
221.08061	2.5
231.10178	1.6
235.09621	13.0
241.08565	2.8
241.10799	9.1
247.09683	27.5
248.08340	3.0
263.10605	1.5
264.07819	1.9
265.08209	1.6
265.10754	5.4
269.08127	3.9
271.06528	1.7
271.09677	4.9
273.28149	1.3
279.03809	1.5
279.09756	1.5
279.12354	13.8
282.05133	1.4
288.12378	3.1
291.09668	2.9
291.12805	6.9
293.08057	3.0
299.09274	2.3
301.07251	1.9
301.10690	1.8
304.07318	1.6
307.09723	4.2
309.13397	2.5
310.08337	2.4
315.08661	15.1
319.09814	4.1
321.13608	2.2
323.12869	3.9
328.09476	2.5
329.10361	7.1
330.11026	15.5
331.11594	3.6
337.10562	2.3
339.12170	4.3
343.11929	3.3
351.12183	10.8
353.10080	1.8
356.12607	2.5
365.13864	2.0
368.12476	3.3
369.13348	3.4
371.14865	8.7
373.16736	1.7
381.12955	1.9
382.14087	3.2
383.14944	14.3
401.15869	10.2
404.14703	19.3
411.90411	1.5
412.68857	1.6
417.15591	2.1
425.16013	3.1
445.18585	4.4
446.15909	1.8
447.16415	1.9
457.18567	12.5
475.19696	14.9
478.18405	18.3
491.19229	2.0
517.20667	3.1
519.22400	1.8
531.21863	5.8
544.70972	1.4
547.54486	1.6
549.16553	1.4
549.23541	15.3
566.42554	2.2
567.27600	9.7
567.43121	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	567.171
Annotation	3,6,7,2',4'-pentamethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.05519	0.4
61.02945	0.3
67.05515	0.5
69.03441	0.8
69.07086	0.3
70.06640	0.2
70.80178	0.6
71.05005	0.3
79.05502	0.2
81.03426	0.4
81.07076	0.8
83.04973	0.3
85.02917	1.4
85.65815	0.2
91.05505	0.7
91.79567	0.2
93.07053	0.4
95.04997	0.3
95.08620	0.4
97.02914	0.5
103.05502	0.3
105.07027	0.3
107.04983	0.6
107.08602	0.5
109.06484	0.3
115.05494	0.3
117.07050	0.2
119.08597	0.4
121.06525	0.3
121.10115	0.4
123.04448	0.4
123.11675	0.2
125.06000	0.3
129.07019	0.3
133.06465	0.3
137.05974	1.6
144.05606	0.3
145.02869	0.8
145.06618	0.3
147.04433	0.5
149.06055	0.3
151.03918	1.0
151.07544	0.4
153.01897	0.3
153.05441	0.4
161.05969	0.4
163.03955	0.8
163.07588	0.2
165.05574	0.4
167.03383	0.3
167.07060	1.9
169.05061	0.4
175.07603	0.3
177.05464	1.8
178.06381	0.4
179.07133	0.3
181.05026	0.5
181.08655	0.3
183.02905	4.0
184.07339	0.5
191.07069	0.5
193.04970	0.6
195.06583	0.7
199.02472	0.5
203.07074	0.4
206.05737	0.5
207.06589	0.5
208.07361	1.0
209.08292	0.3
213.05656	0.3
221.08118	0.3
224.10468	0.4
225.18774	0.5
226.18834	0.3
231.06522	0.3
232.53568	0.2
233.04379	0.4
242.52667	0.2
244.03798	0.2
255.06734	0.3
258.05298	0.7
259.06018	1.2
265.06042	0.3
269.04651	0.3
272.03165	0.5
273.07672	1.6
276.06299	0.4
286.04678	1.2
287.05472	1.7
289.03485	0.7
299.05377	0.6
300.02600	1.3
301.03497	0.9
301.07169	1.7
303.04865	0.3
303.08789	0.3
304.05746	1.4
314.04276	0.9
315.04999	3.1
317.03058	0.7
317.06409	0.5
319.08087	1.4
328.02109	0.4
328.05847	0.4
329.02969	0.4
329.06607	3.6
329.10526	0.5
330.03662	0.9
330.07242	0.3
331.08139	0.9
332.05280	4.2
341.06607	0.4
341.17117	0.3
342.03683	0.7
343.04517	4.7
343.07962	0.3
344.05304	2.2
344.09082	0.4
345.06110	0.8
345.09821	0.3
346.06900	0.5
347.03552	0.4
347.07617	5.3
357.05832	1.1
359.03506	0.3
359.07611	4.9
360.04651	1.2
361.09067	0.6
369.17282	0.3
371.07837	0.8
372.08316	0.8
374.06223	0.4
375.07108	20.6
376.07462	0.2
389.08643	1.7
390.09467	23.3
391.09827	0.4
405.11813	100.0
406.12183	0.9
536.85150	0.3
567.16949	11.9
567.23865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1712
Annotation	Chrysosplenoside H
Peak:m/z	Relative Intensity
55.01857	0.4
57.03426	0.8
59.05022	0.3
61.02916	0.6
67.05492	0.6
69.03111	0.3
69.03429	2.7
70.06597	0.3
71.04985	0.4
71.24876	0.6
73.02917	0.3
79.05503	0.4
79.23278	0.2
81.03420	0.8
81.07054	0.4
85.02518	0.2
85.02916	3.3
87.04458	0.3
91.05469	0.4
95.04941	0.3
95.08624	0.4
97.02907	1.5
97.06531	0.2
97.09790	0.2
97.41203	0.2
98.97563	0.3
99.04456	0.3
103.05477	0.3
107.04964	0.3
107.08573	0.2
109.02883	0.7
121.02871	0.4
127.03913	0.7
137.05960	0.8
145.02887	0.4
147.04404	0.4
149.05931	0.3
151.03899	0.6
151.07553	0.4
153.01772	0.6
161.06055	0.3
163.03928	0.4
166.06120	0.2
167.03297	0.3
167.07063	0.8
177.05522	1.0
179.03386	0.7
181.05048	0.4
183.02934	0.4
185.04559	0.3
189.01871	0.4
191.03352	0.2
193.04967	2.4
194.05695	1.2
197.04474	3.2
199.02383	0.6
200.03146	0.7
205.05008	0.3
207.06589	0.3
208.07433	1.1
213.03941	0.3
231.06487	1.3
241.04893	0.3
256.07504	0.3
257.08060	0.7
259.06125	0.7
261.03900	0.4
269.04401	0.3
271.06006	0.3
271.09668	0.3
273.07608	0.3
285.07684	0.4
286.04559	0.4
287.05554	1.0
289.03418	0.7
293.02875	0.4
297.04077	0.4
299.05606	0.5
299.08960	0.5
301.07043	0.6
304.05585	0.5
311.05511	0.4
312.06403	0.6
313.07019	0.8
314.04254	0.7
315.05139	1.8
317.03006	2.1
317.06537	0.4
319.08221	0.4
325.03436	0.3
326.04224	0.6
326.07788	0.3
327.08740	0.7
328.02066	0.3
328.05978	0.3
329.03088	0.4
329.06561	1.5
332.05280	0.4
340.05753	1.9
341.06491	0.9
342.03607	0.3
343.04517	3.1
344.05310	3.3
345.06097	0.5
345.09796	1.4
347.07599	2.1
354.07526	0.3
355.08170	2.3
357.06036	5.2
358.06805	1.6
359.07617	20.8
360.04700	0.5
372.08670	1.4
373.09195	8.6
374.09476	0.3
375.07129	20.0
376.07660	0.4
389.08890	1.9
390.09488	5.8
405.11819	100.0
406.12143	2.5
424.77069	0.2
449.80975	0.2
462.76807	0.2
466.76422	0.3
567.17004	6.8
567.30475	0.5
568.16901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.4
55.05508	4.9
57.03424	2.2
61.02942	0.9
67.05500	8.1
69.03419	1.6
69.07076	4.3
70.06588	1.0
71.04964	1.0
71.08613	4.0
71.60317	1.2
77.31207	0.8
79.05490	4.8
81.03383	1.7
81.07057	10.9
83.04978	2.5
83.08610	3.7
85.02897	1.6
85.10165	1.7
86.09692	1.8
91.03947	1.0
91.05489	4.9
93.07031	4.1
95.04948	1.9
95.08588	4.1
95.25872	0.9
97.02871	1.2
97.06523	1.3
97.10150	2.4
99.08090	2.4
105.07041	4.4
107.04955	1.4
107.08600	1.7
109.06511	1.1
109.10159	2.1
111.08054	4.6
113.09656	2.7
119.08572	3.7
121.10123	3.1
123.04437	1.7
123.08111	1.0
124.99996	2.5
125.09612	2.2
133.10104	3.5
135.11732	1.5
137.06018	1.5
139.11191	1.1
145.10129	1.2
147.11684	4.0
149.13225	1.6
151.11156	1.8
163.03906	1.0
163.11131	1.0
165.12756	3.4
167.07037	1.7
179.14314	1.7
179.87543	1.0
184.07359	6.5
203.05237	1.6
249.22144	1.5
259.07947	2.4
259.20554	1.9
277.21643	8.8
292.12332	1.0
294.13925	1.2
295.22629	2.3
330.66647	1.0
351.25296	18.7
369.26340	34.5
405.22513	2.5
531.31335	1.7
548.17609	0.9
567.27667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87043	1.5
53.03938	2.4
55.01868	3.4
55.05516	13.4
56.43005	1.5
57.03433	9.5
57.07070	6.2
58.27953	1.5
61.02901	2.4
67.05503	33.2
69.03439	3.8
69.07064	11.5
69.32729	10.1
69.33151	7.7
70.06577	1.5
71.04987	4.4
71.08622	9.4
73.02886	1.8
74.80522	1.6
79.05495	19.2
81.03420	12.1
81.07055	37.1
82.07390	2.0
83.04985	6.1
83.08626	9.9
85.02908	7.1
85.06509	2.4
85.10175	12.1
91.05471	15.7
93.07035	26.9
94.78029	1.6
95.04969	9.6
95.08600	16.5
97.02882	3.2
97.06540	6.1
97.10162	4.9
98.21497	4.5
99.04446	1.9
99.08080	8.4
105.07055	11.2
105.07645	1.9
107.04961	4.9
107.08602	16.5
109.02889	1.9
109.06522	3.8
109.10171	13.2
111.08070	6.4
113.09650	7.7
115.05431	2.2
117.07020	7.7
119.08590	10.5
121.10145	10.2
123.08087	3.5
123.11716	2.7
125.09656	3.7
127.03914	3.9
129.07013	3.9
131.04968	2.6
131.08569	5.8
133.10170	9.4
135.11711	5.5
137.05931	1.8
143.02448	1.9
145.10138	4.6
147.08075	1.7
147.11699	6.5
149.09642	3.3
149.13264	9.9
151.11182	10.2
153.12769	2.5
157.09973	1.9
159.11671	9.1
161.13289	5.6
163.07680	1.9
163.11172	4.8
165.12749	13.7
167.07019	3.2
169.12289	2.2
171.11674	3.2
173.11769	2.7
175.11328	2.0
177.12759	17.8
179.14352	7.0
189.11310	1.9
195.13782	3.8
222.01341	1.8
227.12679	2.2
229.14255	1.8
241.19444	2.4
251.16356	2.6
259.20605	2.6
269.17462	66.3
275.20013	2.5
277.21609	31.1
295.22702	38.0
320.16110	2.0
333.24356	1.8
349.23712	2.7
351.25275	43.3
368.25235	2.5
369.26321	100.0
370.26514	2.8
421.25998	4.1
439.26672	2.3
513.30536	3.7
531.30670	2.6
566.26379	11.5
566.33948	2.7
567.25952	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30498	0.1
55.05508	0.4
56.05036	0.6
58.06631	0.5
59.07397	0.1
60.08167	6.5
67.05508	0.3
69.03429	0.2
69.07057	0.2
69.43081	0.2
69.43484	1.0
70.06570	0.2
71.07384	2.5
72.08207	0.1
75.21174	0.1
78.70049	0.1
79.05497	0.3
81.07069	0.3
83.04979	0.2
83.08618	0.2
85.02902	0.2
86.09712	30.5
89.29529	0.1
91.05482	0.2
93.07054	0.3
95.04947	0.1
95.08638	0.2
97.02912	0.2
97.06510	0.1
97.10202	0.1
98.20690	0.2
98.98473	2.8
100.11254	0.7
104.10751	3.8
105.07052	0.2
107.08592	0.5
109.02837	0.2
116.99443	0.2
119.08687	0.1
121.06509	0.2
125.00013	21.1
132.37715	0.1
135.08078	0.6
137.06018	0.2
137.09665	0.1
143.01067	0.4
143.88281	0.1
159.11725	0.1
161.89790	0.1
163.07501	0.2
163.11145	0.1
167.07080	0.2
173.13300	0.2
177.05598	0.1
182.15401	0.3
184.07355	100.0
185.07651	0.3
187.11215	0.2
191.07079	0.2
210.14944	0.3
221.07974	0.1
222.87292	0.1
229.12216	0.3
247.13228	0.7
253.10918	0.2
258.11099	0.3
274.29990	0.1
332.08435	0.4
391.17700	0.4
548.29755	1.6
548.54175	0.1
557.42426	0.3
566.30908	6.9
566.43237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
55.05511	0.2
56.05029	0.6
56.96581	0.2
57.03440	0.3
57.07088	0.2
58.06586	1.7
59.07375	1.9
60.08165	5.9
61.02925	0.2
65.40556	0.1
67.05507	0.9
67.30934	0.2
69.07059	0.4
69.34233	0.4
69.34644	1.3
70.06580	0.2
71.07375	2.5
79.05503	0.5
81.03440	0.2
81.07050	0.9
83.08649	0.2
85.02900	0.5
86.09708	25.9
91.05500	0.6
93.07046	0.6
94.07375	0.2
95.04996	0.3
95.08578	0.4
97.02885	0.2
98.20702	0.4
98.98466	2.1
104.10740	4.1
105.07043	0.4
107.08598	0.5
109.10162	0.4
119.08540	0.3
119.83514	0.2
121.10140	1.1
122.10457	0.4
125.00006	17.8
135.11665	0.2
143.01060	0.4
145.05009	0.2
145.10213	0.2
149.13254	0.2
158.93642	0.2
161.09634	0.2
167.07022	0.3
168.04169	0.3
177.05418	0.2
181.04922	0.3
184.07343	100.0
185.07716	0.2
192.67650	0.2
200.70959	0.2
205.19556	0.7
206.19963	0.3
210.08894	0.7
210.10709	0.2
239.09206	1.2
252.09805	0.2
255.16042	0.2
258.10928	0.2
293.13217	0.5
299.11252	0.2
312.11801	0.3
326.86453	0.2
331.10312	0.3
349.23489	0.2
412.20883	0.5
417.00894	0.2
438.22702	0.3
460.25708	0.2
462.22510	0.9
480.23380	0.7
548.29224	0.4
552.96344	0.2
566.22522	0.3
566.30969	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	566.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.78341	0.4
58.06610	0.7
60.08168	4.8
61.02937	0.4
63.77386	0.4
64.14445	0.3
64.67275	0.4
67.05492	1.0
70.62071	1.5
71.07381	2.9
79.05469	1.2
81.03409	0.4
81.07033	0.9
83.08617	0.6
85.02899	0.6
86.09709	30.6
91.05471	0.5
93.07056	0.5
95.08588	1.0
97.02906	0.5
98.98453	2.6
104.10763	2.9
105.07016	1.1
107.04974	0.5
107.08614	0.4
109.02876	0.4
109.10143	0.6
109.67149	0.4
117.87806	0.4
119.08572	0.6
121.10136	0.5
123.04385	0.4
125.00013	19.5
131.04968	0.4
133.10124	0.5
137.05965	1.2
143.01089	0.6
151.07509	0.6
160.79164	0.5
167.07005	1.5
175.07550	0.5
181.04977	0.5
184.07349	100.0
265.14291	0.4
296.84720	0.4
464.24072	0.8
548.29767	1.1
566.30798	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	565.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.05508	12.9
57.03444	5.2
57.07067	10.1
59.05000	3.4
62.42445	2.6
67.05504	32.2
69.03421	4.2
69.07067	16.3
71.08624	3.9
71.61293	3.0
76.05272	2.2
78.46108	2.2
79.05489	20.6
81.03416	5.5
81.07056	32.5
83.04978	2.8
83.08616	12.5
85.06581	2.1
85.10207	2.5
89.64362	3.0
91.05478	28.7
93.07041	35.3
95.04964	15.8
95.08610	27.6
97.06516	3.7
105.07037	42.4
107.04969	4.9
107.08585	27.8
109.02866	2.7
109.06480	5.2
109.10133	17.7
111.04433	2.5
113.09689	2.9
117.06982	14.4
119.08571	52.0
121.06469	2.7
121.10134	34.7
123.04450	7.1
123.08074	8.4
123.11731	4.3
125.09654	5.7
128.06210	8.2
129.07033	9.1
130.07784	8.2
131.08580	19.8
133.10124	32.6
135.08069	8.3
135.11664	13.6
137.09599	3.9
139.11157	2.5
141.07005	4.7
142.07811	12.6
143.08583	24.5
144.09341	3.9
145.10121	33.5
147.08076	6.2
147.11684	12.4
149.09624	6.0
151.07507	2.8
155.08562	12.6
156.09392	12.5
157.10118	34.3
158.10954	5.5
159.07973	3.9
159.11679	18.8
160.89822	2.4
161.09584	2.9
161.13306	3.8
163.11189	6.6
165.09109	10.5
165.72105	2.8
167.08620	7.4
167.10710	12.2
168.09390	5.8
169.10114	16.9
170.11014	4.8
171.11659	18.2
173.13260	16.4
175.14865	8.5
179.08626	5.6
180.09413	3.9
181.10165	8.7
181.12196	5.7
182.10970	5.5
183.11719	11.0
185.13287	11.0
187.14807	6.4
189.10063	2.6
189.12744	2.6
191.10617	2.7
191.14325	4.6
192.09343	5.0
193.10197	9.1
194.11002	8.0
195.11742	16.2
196.12473	3.7
197.13260	12.5
199.14722	14.3
201.16370	3.0
203.14351	3.9
205.10188	3.2
206.10957	6.5
207.11765	13.4
207.13698	3.9
208.12477	5.4
209.13271	12.4
210.13919	2.5
211.14812	4.7
212.63460	3.2
213.16490	3.2
217.10011	3.5
219.11678	4.8
220.12529	4.3
221.13260	15.6
221.15433	15.4
223.14839	7.0
231.11737	5.1
232.12553	3.4
233.13252	5.0
233.15355	6.5
235.13287	9.9
235.15161	4.4
237.16367	6.0
239.17992	4.1
243.11678	4.5
245.13252	4.6
246.14114	4.0
247.14838	4.9
249.16350	5.1
251.18013	6.9
253.19427	4.4
259.14838	5.2
260.15533	4.4
261.16425	8.3
263.18011	4.8
265.19641	7.5
273.16443	4.0
275.18015	5.7
277.19522	5.8
289.19391	3.5
291.21088	3.1
309.16977	9.7
313.27441	16.1
317.22726	3.1
325.19632	3.0
331.24213	3.4
343.24115	3.6
355.24799	2.9
357.25784	3.7
425.28381	4.3
473.34650	3.5
491.34799	2.6
547.39728	21.7
565.40411	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03931	1.0
55.01859	0.7
55.05509	6.4
57.07075	4.1
58.74434	0.9
59.04986	1.9
65.03940	1.7
67.05505	11.6
69.03423	2.9
69.07066	8.4
69.93253	2.8
69.93678	1.5
71.04986	0.8
79.05499	10.6
81.07058	16.4
83.04972	2.8
83.08621	3.5
83.18587	0.8
85.06538	2.5
85.10178	0.9
90.61900	0.7
91.05480	17.1
93.07043	22.9
95.04957	6.4
95.08044	1.2
95.08608	16.3
97.06532	2.4
97.10153	0.8
101.80210	0.6
103.05482	1.6
105.07029	32.4
107.04973	0.7
107.08591	22.0
109.06541	4.8
109.10160	11.6
111.08096	1.4
113.09660	0.8
115.05450	1.8
116.06205	1.0
117.07010	7.2
119.08582	39.2
121.06506	1.8
121.10143	26.5
122.10490	0.7
123.08080	5.2
123.11752	4.4
125.05991	1.9
125.09621	1.4
128.06241	4.5
129.07011	7.5
130.07785	2.8
131.08574	15.6
133.06500	1.1
133.10124	25.1
135.08067	3.6
135.11697	8.6
135.23804	0.7
137.09612	3.7
139.11122	1.3
141.06993	3.2
142.07767	10.3
143.08565	19.2
144.09338	3.7
145.06477	0.9
145.10126	26.6
146.10863	0.9
147.08063	4.5
147.11700	6.9
149.09595	5.3
149.13252	1.6
151.07570	1.9
151.11273	1.0
153.06999	2.3
154.07771	1.3
155.08560	6.4
155.10646	1.4
156.09346	7.8
157.10124	27.2
158.10954	3.6
159.08098	1.7
159.11694	12.4
161.09618	2.3
161.13266	3.8
163.11209	3.4
163.14896	1.0
165.06987	3.0
165.09129	6.4
165.12784	1.0
167.08586	4.9
167.10670	9.8
168.09427	3.7
169.10143	14.7
170.10915	4.8
171.11694	16.1
172.12465	1.1
173.09590	2.3
173.13261	12.4
175.11180	1.4
175.14803	3.9
177.09099	1.1
178.07826	1.6
179.08542	7.6
180.09343	3.9
181.10147	6.3
181.12256	3.1
182.10909	4.1
183.11710	11.3
184.12469	1.6
185.13255	10.4
187.11206	1.1
187.14803	6.3
189.12727	2.1
189.16457	0.8
191.08714	0.9
191.14372	2.1
192.09296	3.8
193.10120	7.3
194.10886	5.2
195.11690	12.2
196.12398	3.4
197.13269	12.1
198.14003	1.1
199.11240	1.2
199.14824	8.1
201.12833	1.1
201.16411	3.2
203.08620	0.8
203.14331	4.4
204.09254	1.6
205.10150	3.3
205.15822	1.2
206.10936	5.8
207.11732	8.5
207.13745	1.9
208.12450	4.3
209.13272	14.1
209.15271	0.9
210.13976	1.3
211.11191	1.8
211.14784	9.0
211.16446	0.9
212.15594	1.0
213.12773	1.4
213.16420	4.4
215.14294	1.7
217.10159	2.2
217.15909	1.8
218.10971	1.8
219.11711	4.1
220.12424	3.2
221.13277	9.2
221.15424	12.9
222.13979	2.3
223.11125	0.8
223.14752	7.8
224.15573	1.4
225.16356	5.0
227.14384	1.0
227.17981	0.9
229.15956	0.8
230.10980	1.3
231.11806	3.3
231.13820	0.8
232.12506	3.1
233.13278	6.5
233.15424	4.0
234.14044	3.1
235.14822	7.1
236.15584	1.3
237.16402	4.0
239.17909	4.0
241.15872	1.2
243.11748	2.2
244.12405	1.2
245.13231	4.4
246.14117	3.2
247.14851	5.6
247.17084	1.8
248.15698	2.1
249.16338	3.9
250.17143	1.0
251.17914	5.5
253.15921	1.0
253.19576	3.0
257.13312	2.2
257.18973	1.2
258.14136	1.5
259.14737	4.5
260.15628	3.0
260.18188	0.8
261.12747	0.7
261.16351	4.9
263.17880	5.1
264.18665	1.1
265.19525	5.3
267.21115	0.9
269.13272	1.3
269.19119	1.9
271.14709	1.8
272.15625	1.1
273.16086	3.2
274.17053	1.4
275.17783	3.4
277.16263	1.0
277.19565	4.7
279.21188	1.5
281.19080	1.7
283.14993	1.4
283.20587	2.1
285.16376	1.9
287.17877	1.7
289.19510	3.4
291.21100	1.2
295.20663	1.4
297.16275	1.0
299.17804	1.5
301.19635	2.1
303.21094	1.9
305.19080	1.0
307.20633	1.5
309.22159	0.8
313.19617	1.1
315.21237	2.3
316.22067	0.9
317.22797	1.9
319.24118	1.3
327.21326	0.9
329.22699	2.8
331.20795	0.9
331.24307	2.8
335.23566	1.0
341.22751	1.3
343.24237	2.3
345.25690	1.1
347.23709	2.6
355.24554	0.9
357.25726	3.6
359.23834	0.9
361.25253	1.0
365.24680	3.4
367.24493	1.0
385.29047	1.8
387.26706	0.8
425.28323	1.1
427.29828	0.7
463.33527	0.8
473.34167	7.0
485.34079	1.1
491.33124	1.2
507.35910	1.0
509.33972	1.7
547.39398	15.7
565.40424	100.0
566.40869	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46529	2.7
53.03948	11.6
53.99321	2.2
55.01872	17.4
55.05516	40.0
57.03434	15.8
57.07072	17.1
61.02925	4.3
64.21725	2.5
65.03937	6.5
67.05506	49.9
69.03432	44.0
69.07069	49.8
71.04997	7.1
71.08615	6.5
73.02920	30.6
79.05485	22.1
81.03427	29.7
81.07055	64.4
83.04975	10.7
83.08620	38.4
84.40738	3.0
85.02907	36.7
85.06552	5.8
85.10204	5.6
91.05489	16.9
93.07050	28.7
95.04985	3.0
95.08604	51.6
97.02901	10.9
97.06537	6.9
97.10173	24.6
98.20605	4.4
98.86715	2.9
99.04449	21.0
105.07030	7.6
107.08595	21.5
109.02882	52.4
109.06522	4.3
109.10159	35.7
110.03670	5.5
111.04443	44.0
111.08083	4.2
111.11716	8.1
117.61640	2.9
119.04925	12.9
119.08616	10.8
121.10134	34.4
121.10903	3.1
123.08054	2.9
123.11705	10.1
125.09694	3.1
127.03918	29.8
131.08627	3.4
132.99562	21.6
133.10207	6.6
135.08154	3.4
135.11679	22.9
143.08621	4.3
145.10135	8.7
147.04410	50.8
149.13274	10.3
151.00623	8.3
151.14830	3.4
155.14296	2.5
160.01830	2.8
163.11157	3.5
163.14790	4.4
171.11778	4.7
172.99110	3.7
177.16397	4.6
191.00058	23.0
191.17860	4.1
193.10194	3.2
200.10077	2.9
209.01212	10.2
247.24229	28.0
265.03815	4.1
265.25259	68.3
283.26215	4.0
339.28900	43.8
529.38141	2.7
538.14429	3.0
547.38782	11.0
565.30518	100.0
565.40002	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	565.1556
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.05502	3.6
55.82679	1.7
57.03443	18.9
61.02921	4.5
69.03431	16.9
70.89186	5.0
71.01382	2.8
71.05002	16.8
72.16207	1.7
72.48053	1.7
73.02923	32.1
81.03426	2.9
83.04973	12.5
85.02912	35.1
87.04496	3.2
91.05492	3.4
94.99502	1.8
97.02892	27.3
107.04937	3.1
111.04446	9.8
115.03939	15.5
121.02872	10.8
127.03867	2.1
129.05513	11.2
133.04927	2.8
137.05927	2.6
137.34818	1.8
145.02858	4.2
145.04913	2.7
147.04459	2.8
147.06543	6.7
153.01917	2.8
165.01910	3.2
167.07060	4.1
177.05481	8.3
181.05052	2.3
213.17886	1.9
225.07608	3.7
242.36928	1.8
243.08717	2.8
255.06357	1.9
283.06006	4.8
287.05518	100.0
288.05847	2.7
297.07422	2.3
299.05554	15.5
300.06302	4.8
311.05328	3.6
312.63583	2.0
313.06970	2.8
325.07050	6.4
329.06592	41.1
336.98868	2.1
351.08807	3.1
353.06506	12.2
379.08200	9.4
397.09171	23.7
415.10376	11.8
433.11349	21.1
461.10135	2.0
565.15704	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95541	1.6
53.03946	2.5
55.01883	1.7
55.05514	10.1
57.03442	4.7
60.68719	1.7
61.02924	2.3
63.54798	2.0
67.05511	17.1
69.03429	3.7
69.07073	11.9
69.96059	10.2
70.06596	3.4
71.05013	2.0
71.08640	13.0
77.39626	1.9
79.05496	11.0
81.03439	9.1
81.07057	16.5
83.08616	6.8
85.02905	4.6
87.04570	1.9
91.03977	2.4
91.05479	8.5
93.07045	9.7
95.04974	8.3
95.08596	6.3
97.10166	7.8
99.08093	9.3
105.07041	7.3
107.05028	2.9
107.08598	7.9
109.10176	6.0
117.07037	3.3
117.48780	2.0
119.08583	5.1
121.06508	6.4
121.10139	2.9
125.09653	5.8
131.08575	5.3
133.10147	8.4
135.08020	2.1
135.11734	2.9
145.10139	2.4
147.11708	3.4
149.09596	3.8
149.13383	2.5
151.11226	2.3
175.11201	2.5
177.12778	3.4
189.11293	2.6
193.12260	9.0
211.13214	3.6
227.12833	3.7
234.08002	1.9
244.98889	1.9
261.32526	1.8
267.16043	3.4
275.20169	7.6
285.16962	18.7
293.21112	100.0
299.56284	1.8
349.16653	3.2
349.23709	2.5
367.24796	96.4
387.51120	1.9
447.27396	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38013	4.9
53.03932	4.7
55.01869	9.7
55.05516	22.9
56.21804	4.0
57.03432	18.4
65.03927	5.6
67.05508	67.6
69.03419	17.6
69.07071	30.1
71.04962	6.7
71.15682	10.0
74.69433	4.4
79.05497	61.2
81.03413	22.8
81.06580	6.4
81.07056	93.2
83.04964	11.3
83.08611	18.0
83.55775	4.2
85.02895	19.4
85.06548	4.8
91.03950	4.5
91.05484	40.2
93.07046	70.2
95.04955	17.9
95.08614	36.5
97.02865	14.4
97.06534	15.5
97.10173	11.3
103.03944	4.7
105.07031	43.1
106.07326	6.2
107.04929	14.5
107.08598	49.7
109.02851	13.4
109.06540	11.2
109.10139	19.7
111.08079	9.8
117.07014	16.8
119.08578	31.0
121.06485	4.5
121.10120	18.4
123.08044	6.7
123.11649	7.1
127.03889	10.6
129.06950	7.7
131.08559	25.5
133.06602	5.6
133.10115	30.6
135.08025	5.4
135.11691	31.4
137.05939	5.6
137.09529	4.5
143.08524	5.7
145.04977	8.5
145.10124	24.5
147.11696	16.1
149.09616	16.9
149.13252	31.7
157.99251	4.5
158.09624	7.3
159.11688	26.3
161.13316	9.6
163.11150	12.3
171.11595	5.2
173.13255	7.3
177.12788	28.7
179.14304	13.2
181.12169	7.5
193.12268	7.0
195.13795	11.2
205.19504	8.8
219.79913	4.4
229.19530	6.4
237.61009	4.8
239.17879	6.4
255.15970	49.1
269.17453	100.0
275.20078	49.6
293.21210	6.4
303.15793	7.5
339.18024	15.3
343.17517	5.8
349.23740	51.5
367.24667	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	563.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	43.8
57.03446	10.0
57.07073	9.4
59.05040	5.4
63.83704	5.9
67.05508	97.4
69.07077	35.3
69.33646	14.0
69.34053	53.8
71.05002	8.4
73.85739	4.6
79.05497	48.9
80.46534	5.6
81.03433	17.0
81.07056	91.5
83.05004	10.8
83.08620	24.7
84.94983	5.2
85.06565	7.9
91.05484	54.3
93.07047	68.7
94.60911	5.7
95.04960	14.5
95.08613	70.3
97.06548	7.0
97.10181	14.1
102.47012	5.5
102.47691	5.4
105.07035	47.3
107.08590	43.3
109.06539	9.1
109.10165	42.0
111.08138	10.0
111.70090	5.1
117.07032	16.2
119.08578	42.7
121.10129	38.6
123.08043	9.1
123.11753	6.8
125.09634	19.4
129.07001	7.7
131.08595	32.3
133.10153	41.8
135.11766	13.4
139.11226	7.6
143.08623	12.2
145.10133	22.3
147.11681	23.0
149.09740	7.0
149.13303	15.6
155.55197	6.1
157.10191	13.8
159.11763	10.4
161.13235	10.6
165.32103	4.9
169.10260	9.5
171.11731	11.2
172.95271	13.1
173.13243	9.3
175.14760	6.2
183.11777	8.8
185.13326	12.1
190.96326	8.7
197.13307	7.0
227.12793	11.3
229.14403	8.2
267.15985	11.6
303.23096	6.4
314.35114	6.0
327.22925	6.2
335.25891	13.9
396.90872	6.1
435.32205	11.6
453.33722	14.9
469.29294	6.5
471.34900	13.9
522.22180	8.5
527.37354	59.0
545.38397	100.0
563.39691	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	563.2107
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
63.82322	0.3
67.05491	0.3
69.03430	0.5
69.83434	1.5
70.06578	1.1
71.04996	0.5
72.08150	0.6
81.03400	0.4
85.02903	0.9
87.04430	0.3
95.01115	1.0
95.04955	0.4
96.01918	0.6
96.43100	0.3
97.02882	0.3
98.21478	0.5
107.04940	0.7
109.02885	0.3
111.08115	0.3
111.37138	0.3
113.02115	1.0
115.05423	0.4
123.04431	0.4
127.03893	0.6
131.04922	0.5
137.05963	1.2
139.03894	0.5
149.06015	0.3
151.03914	0.4
159.04161	1.3
161.05949	0.4
163.03932	0.6
163.07565	0.6
167.03362	0.4
167.07047	0.9
177.05486	0.8
185.04208	2.0
189.05370	0.5
201.03728	1.0
202.06093	0.3
203.05170	2.0
204.07599	2.0
207.06506	0.3
337.12372	0.5
351.10519	0.5
352.10458	0.3
353.13565	0.5
365.12051	1.2
366.12927	1.1
367.13226	0.5
383.15112	0.3
390.60300	0.3
401.15933	0.8
505.83243	0.4
563.20984	100.0
564.21362	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01871	8.1
55.05511	29.7
56.96561	4.5
57.03440	10.2
59.20208	2.7
61.02916	6.9
67.05506	43.6
69.03435	12.0
69.07068	22.9
70.06596	5.3
71.05007	5.8
71.58662	2.8
71.59086	3.3
79.05492	39.0
81.03426	15.8
81.07059	66.7
81.94012	2.9
83.05003	14.3
83.08615	15.4
85.02901	16.8
91.03944	5.1
91.05479	27.6
93.07041	31.2
95.04953	21.0
95.08595	29.2
97.02876	10.4
97.06540	14.1
97.10172	26.8
99.08121	4.8
103.05482	3.0
105.07039	25.5
107.04971	12.4
107.08594	25.6
109.02855	4.2
109.06518	8.8
109.10170	17.5
111.04443	16.1
111.08100	8.0
117.07021	11.3
119.04951	5.4
119.08580	23.3
121.06491	8.9
121.10141	13.1
122.50121	3.2
123.08076	26.9
123.11740	4.4
125.09631	25.5
127.03905	4.6
127.07520	3.5
129.07040	5.4
131.08571	10.6
133.10167	11.3
134.99663	3.6
135.08089	11.5
135.11699	13.7
137.09625	6.3
145.02866	8.6
145.10147	8.9
147.04405	5.1
147.08046	6.7
147.11702	6.5
149.09636	8.4
153.09227	5.0
153.12770	8.8
157.10190	7.0
159.11728	4.3
161.05902	3.3
161.09608	5.5
161.13197	3.5
163.11174	16.0
165.09145	5.1
167.07037	5.0
175.11151	3.5
177.05426	15.3
177.12825	4.4
181.12242	6.1
184.07410	3.0
189.11200	17.8
190.06110	3.5
191.10641	7.4
220.10406	3.6
223.13272	3.9
227.12798	9.1
233.15489	5.0
244.09564	5.5
269.17377	3.2
273.18481	25.7
291.19574	67.4
301.13156	19.3
301.63174	15.5
302.13605	4.9
309.20657	5.7
347.22122	7.0
365.23230	59.8
371.27786	5.9
372.50549	3.9
383.24298	100.0
385.12869	3.6
401.12759	3.6
401.24640	3.1
463.00583	3.4
549.18243	3.3
563.20844	20.4
563.30872	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01873	3.7
55.05266	1.1
55.05514	13.4
57.03427	3.1
59.04983	0.8
61.02913	1.6
65.03934	0.8
66.82682	0.8
67.05170	1.1
67.05508	15.1
69.03434	7.1
69.07068	15.3
71.05003	1.7
71.60165	1.2
77.93817	0.7
79.05497	15.2
81.03416	8.4
81.07062	12.4
83.01289	0.7
83.04968	3.0
83.08622	7.8
84.26490	0.7
85.02916	3.2
91.05482	9.3
93.07037	10.4
95.04970	6.0
95.08603	7.5
97.02891	6.0
97.06527	2.9
97.10175	8.7
105.07038	8.9
107.04941	4.3
107.08601	8.5
109.02868	2.7
109.06516	2.0
109.10162	4.3
116.71224	0.7
117.07007	4.6
119.04971	1.0
119.08585	10.2
121.06513	2.6
121.10133	3.1
123.04419	0.7
123.08076	1.9
125.09643	6.9
125.53535	0.8
127.03914	5.3
129.06992	2.6
131.08591	6.1
133.06467	2.5
133.10114	3.5
134.07291	0.7
135.08072	2.4
135.11719	1.9
137.09605	2.0
143.08540	1.3
145.10164	4.0
147.08058	4.8
147.11697	1.9
149.09576	1.7
149.13335	1.0
153.09056	0.9
157.10107	2.2
159.11671	1.5
161.09587	1.5
162.10387	0.7
163.11188	1.6
164.94298	0.7
165.09103	0.9
169.10153	0.7
169.12270	0.8
171.11655	0.8
173.09593	1.0
175.11206	2.4
177.12677	0.9
189.11232	4.0
193.12262	3.9
205.12306	1.0
223.13290	12.4
227.12727	4.0
245.13687	0.8
246.69577	0.7
249.14900	2.9
255.17584	0.9
263.19965	0.8
267.15854	1.9
273.18484	10.7
285.16995	5.7
291.19556	100.0
292.19919	1.5
309.20691	0.9
347.22122	1.6
365.23254	65.6
366.23633	1.2
406.58011	0.9
417.22397	1.0
418.09155	0.8
435.23889	5.6
453.24805	1.0
511.07996	0.7
527.28491	2.0
562.37799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18585	0.8
51.60353	0.9
53.03919	0.9
54.12504	0.8
55.01870	2.7
62.51915	0.9
65.03944	1.2
65.13602	0.7
65.70956	0.9
67.05489	2.0
68.99789	4.4
69.03424	3.2
69.77374	1.0
69.77682	6.1
70.06590	2.6
71.05001	1.6
78.26791	0.8
81.03420	2.8
81.25976	1.0
83.04973	1.0
85.02906	8.9
86.09719	1.3
89.06037	0.9
91.05470	1.1
93.03381	1.7
95.04977	1.7
96.27122	0.8
97.02885	3.1
98.20753	0.9
99.04463	0.9
103.03947	1.7
105.07014	1.2
107.04909	0.8
109.02872	1.4
111.00802	1.2
111.04426	2.2
119.04993	1.2
121.02854	0.9
123.04390	1.9
127.03915	3.7
132.42451	0.9
133.06508	1.3
135.04430	2.1
137.02409	1.0
137.05974	1.5
139.03908	100.0
145.04993	2.5
147.04393	3.7
150.03247	0.9
151.03883	5.8
159.04442	5.6
161.06004	4.5
163.03893	8.9
165.05486	1.4
167.03482	1.9
167.07047	1.5
171.04407	2.8
175.03850	1.8
177.03275	2.3
177.05463	1.5
181.04993	4.1
183.04416	1.1
187.03888	3.0
189.05493	10.1
191.03386	2.0
193.04977	2.8
199.03938	2.5
201.05420	1.9
205.04959	14.7
206.05386	0.9
217.04991	9.4
219.02983	3.4
229.05011	7.9
233.04459	13.3
235.05983	9.8
245.04362	2.0
247.06062	1.9
253.05124	1.5
257.04440	10.9
263.05502	37.3
265.07172	1.5
268.07083	1.0
271.06244	1.2
283.08203	2.1
292.71338	1.0
295.06097	0.9
301.09268	7.0
319.05923	2.0
331.17148	0.9
337.07205	1.4
343.69965	1.0
365.06616	2.0
383.07556	6.4
401.08713	48.3
425.11023	7.0
488.35455	0.9
562.28754	1.5
563.20685	1.8
563.28925	5.1
592.36353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29729	6.4
53.03946	7.5
53.22709	6.9
55.05516	33.7
58.45496	6.8
67.05511	92.2
69.07053	25.4
70.03226	15.8
70.03620	17.5
71.05003	39.1
74.43422	7.3
78.66463	7.2
79.05502	62.3
81.07060	98.8
83.04990	10.5
83.08642	16.3
91.05491	50.8
93.07043	75.8
95.04973	16.3
95.08629	45.6
97.06510	8.0
105.07036	30.3
107.08591	27.8
109.06542	7.4
109.10183	16.3
111.68417	6.1
114.16255	7.3
117.07007	11.5
119.08601	22.7
121.10149	22.7
123.11722	18.6
130.61740	7.6
131.08591	17.2
133.10144	29.0
135.07236	6.7
135.11685	26.6
145.06548	6.5
145.10208	15.5
147.11632	10.0
149.13254	14.7
151.11198	11.9
159.11717	16.8
161.13342	9.4
173.13257	7.7
183.13852	14.3
193.10306	6.3
283.18713	7.8
285.16867	7.6
388.75818	8.0
517.38818	25.4
529.38892	52.8
561.42090	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
53.21917	0.8
55.01875	7.5
55.05515	9.0
57.03443	7.2
57.07077	1.2
61.02926	2.7
65.03956	1.8
67.05509	38.3
68.05815	0.8
69.03429	5.5
69.07063	9.7
70.58501	2.9
71.04994	4.8
73.02892	0.8
79.05497	19.4
81.03432	7.8
81.07059	37.1
82.07389	1.2
83.04990	9.2
83.08629	4.3
85.02908	4.9
85.06541	4.4
90.26868	0.7
91.03981	1.7
91.05486	33.2
91.75706	0.7
93.07042	23.0
95.04974	9.3
95.08612	12.0
97.02882	1.8
97.06534	2.9
97.10209	1.5
99.04451	1.5
105.07037	28.6
107.04972	6.6
107.07867	1.3
107.08599	25.1
109.06528	6.5
109.10162	39.1
111.04498	0.9
111.08092	3.0
113.06037	1.9
117.07005	4.9
117.87173	0.8
119.04899	1.0
119.08585	6.6
121.06503	4.9
121.10154	6.3
123.04453	1.3
123.08083	2.7
123.11692	6.3
125.09602	1.7
127.03961	1.1
127.07556	2.7
129.05496	1.4
129.07008	2.9
131.08549	7.0
133.06479	3.1
133.10135	51.2
134.10448	1.0
135.08060	5.4
135.11707	3.3
137.09676	2.1
139.07568	0.8
139.11194	1.2
143.08611	2.2
145.10144	2.7
147.08038	2.1
147.11674	3.0
149.09618	6.5
149.13298	1.0
151.07582	1.5
151.11195	23.8
157.10109	2.0
159.08047	2.1
159.11684	1.3
161.09622	5.3
163.11212	2.7
165.12717	1.0
167.10686	1.0
169.12247	4.1
171.11742	2.0
175.11157	1.5
177.09067	2.4
177.12747	0.9
179.10678	2.0
183.10210	0.9
184.05727	1.1
184.07323	1.6
189.12811	1.3
193.12260	1.4
199.11235	1.0
205.96075	0.9
215.12801	3.8
227.17976	1.1
229.14317	0.9
244.99529	0.9
245.19041	1.8
251.12790	1.1
253.14371	88.9
254.14728	1.2
263.20059	3.2
267.15897	2.3
269.13864	3.9
271.15381	12.5
273.18549	13.8
285.17023	1.8
291.19537	16.9
309.20700	1.7
347.22217	7.6
353.76456	0.8
365.23251	100.0
366.23538	2.8
383.24454	3.6
438.27780	1.0
477.28348	1.6
527.28448	3.0
544.36505	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
55.01870	4.5
55.05295	1.3
55.05516	15.1
57.03442	6.6
57.07077	2.5
58.26188	1.0
65.03924	1.3
67.05508	49.8
69.03431	1.6
69.07076	12.7
71.04987	3.5
73.02930	1.3
77.03928	1.3
79.05495	42.5
81.03445	1.6
81.07060	52.8
83.04979	3.5
83.08621	11.2
85.06532	2.4
91.05482	19.0
93.07050	54.3
95.04964	9.5
95.08609	56.1
97.02895	3.0
97.06564	5.2
97.07115	1.2
97.10176	2.4
99.04469	3.9
100.46930	1.0
105.07030	15.8
107.04968	8.2
107.07859	1.9
107.08598	37.9
109.06524	2.6
109.10163	16.5
111.04469	1.8
111.08059	2.4
117.07013	12.2
119.08582	15.2
121.06536	7.4
121.10146	23.2
123.11674	5.0
125.05994	2.1
131.08588	7.3
133.10149	9.3
135.08145	2.6
135.11703	49.9
137.13249	2.4
139.07588	1.6
143.08600	1.8
145.10133	32.1
147.11708	4.1
149.13290	6.7
153.12746	1.6
157.10121	1.4
159.11671	6.0
161.13271	3.9
163.11191	51.8
163.14870	3.1
165.12852	1.1
173.13280	2.7
177.16252	1.2
181.12222	9.9
187.14902	2.7
209.11723	1.3
227.12790	100.0
229.66801	1.2
243.21169	4.9
261.22137	18.1
267.16016	1.5
271.13818	1.1
277.21503	1.3
283.15399	54.2
293.21011	2.7
299.23685	1.5
317.24637	7.6
335.25815	63.6
469.33292	2.7
543.36804	43.0
561.39734	96.7
562.39917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01867	5.4
55.05304	1.3
55.05516	16.1
57.03441	8.9
57.07081	2.1
65.03938	3.1
65.43088	1.3
67.05508	56.7
69.03445	1.9
69.07072	15.7
69.25088	1.0
71.05000	3.5
71.08601	1.1
71.59687	1.9
79.05501	40.0
79.05962	2.5
81.03434	4.0
81.06580	2.9
81.07061	61.0
83.04987	4.6
83.08624	11.3
85.06580	1.2
91.05485	22.0
93.07049	56.3
95.04984	10.2
95.08614	58.4
97.02912	3.0
97.06503	5.7
97.10171	2.8
99.04471	5.1
105.07039	16.0
107.04971	7.6
107.08595	38.7
109.06512	3.5
109.10161	18.2
111.04451	1.8
111.08085	3.3
117.07017	14.3
119.08591	15.8
121.06516	6.7
121.10142	22.9
123.11721	5.5
125.05997	3.1
130.07809	1.2
131.08592	10.2
133.10173	10.0
135.08110	3.0
135.11697	52.5
137.13301	2.3
139.07539	1.8
143.08562	1.2
145.10135	31.1
147.04498	1.5
147.11725	4.0
149.09650	1.7
149.13264	5.8
151.11284	1.4
155.23473	1.2
159.11729	4.7
161.13313	3.2
163.11185	53.0
163.14825	2.1
173.13290	4.5
175.14961	1.7
181.12248	12.2
187.14885	3.0
203.61588	1.4
209.11790	2.1
227.12787	100.0
233.22948	1.2
243.21138	5.7
261.22162	18.9
267.69861	1.5
279.23367	1.6
283.15414	50.4
293.21191	2.5
317.24765	7.9
335.25830	69.9
373.56802	1.3
469.32959	1.8
496.22507	1.2
543.36804	44.5
561.39728	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95170	3.6
55.05499	9.4
67.05499	17.0
69.07060	6.5
69.67602	28.6
71.07379	5.4
75.82821	4.6
79.05493	15.7
81.07057	15.8
82.82660	4.9
83.08617	11.1
86.09704	56.4
91.05480	8.7
93.07032	13.3
94.07394	6.2
95.04974	5.7
95.08597	11.9
104.10761	8.8
106.23666	4.1
119.08539	4.9
121.10165	6.0
131.08502	7.4
141.32161	3.9
145.10132	5.2
147.04417	6.5
160.35060	4.2
162.95560	60.7
168.06567	4.2
229.39934	5.5
268.15497	5.6
389.35446	4.0
391.03293	6.4
501.23776	100.0
542.35541	5.2
560.30432	62.4
560.38306	8.1
562.32306	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	561.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.3
55.01872	50.4
55.05513	60.3
56.96553	4.5
57.03442	68.5
57.07073	11.0
59.05016	4.8
61.02935	64.5
63.49390	5.3
66.19343	4.6
67.05511	85.8
69.03436	52.9
69.07066	38.1
69.34274	5.0
70.06591	9.5
71.01361	6.9
71.04987	15.3
71.59931	7.1
73.02915	44.8
79.05495	64.7
81.03428	47.6
81.07060	91.3
83.04983	47.6
83.08617	34.8
85.02918	69.2
85.06541	11.3
87.04472	8.7
91.03970	30.3
91.05487	56.7
93.07048	61.3
95.04975	42.5
95.08607	39.0
96.05742	13.1
97.02891	68.0
97.06526	28.5
97.10165	37.0
98.07317	10.4
99.04453	15.2
101.02388	11.1
101.06002	10.2
105.07022	43.2
107.04959	23.7
107.08598	45.1
109.02883	28.7
109.06516	33.3
109.10154	42.4
111.04464	11.4
111.08100	8.7
113.06008	4.6
115.03880	5.9
115.07558	10.1
116.04724	30.3
117.05450	7.2
117.07022	16.7
119.05034	6.3
119.08598	29.3
121.06504	16.4
121.10114	22.7
123.04422	16.1
123.08081	15.1
125.09669	31.2
127.03915	39.8
129.05489	89.6
129.06949	7.2
131.08565	20.9
133.06517	10.5
133.10135	22.7
135.08075	17.3
135.11690	18.7
137.05984	11.6
137.09610	49.0
138.10420	9.2
143.07047	38.6
143.08015	5.8
145.04985	12.2
145.10120	20.2
147.04434	12.6
147.08049	18.7
147.11678	19.6
149.09637	15.0
149.13303	6.8
151.07541	10.8
153.05492	5.7
153.09081	9.5
153.12819	5.5
154.58936	4.9
155.10672	20.6
157.08626	77.4
157.10007	10.8
159.08116	7.4
159.11774	7.9
161.09665	10.0
163.07526	7.2
163.11203	18.1
165.09149	6.4
167.06996	7.9
167.10748	6.8
171.10184	27.1
171.11531	5.2
173.09581	7.3
173.11871	6.3
175.09744	5.2
175.11221	9.4
177.05516	4.8
177.12827	6.8
181.05017	5.5
183.06578	9.3
185.11697	5.5
189.11276	22.2
193.12234	10.9
195.13972	5.2
200.14055	24.2
221.11792	25.6
227.12822	9.2
229.14317	13.0
239.12898	28.6
261.14929	4.8
273.18539	27.5
289.17969	8.2
291.19604	18.8
295.15405	17.5
301.13214	7.4
307.19156	5.9
347.22211	6.2
365.23236	13.7
381.22882	5.1
399.23764	100.0
407.64035	4.8
500.73981	5.0
561.29694	21.7
561.39935	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	561.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46440	0.2
69.03407	0.3
69.07050	0.2
69.72504	0.5
69.72926	1.0
70.06581	0.7
76.00364	0.3
77.34878	0.2
81.03413	0.4
83.04987	0.4
84.12091	0.3
85.02910	0.7
86.09724	0.3
91.05482	0.4
91.52750	0.2
93.07030	0.2
97.02895	0.2
97.06542	0.3
105.07047	0.3
109.02901	0.3
109.10111	0.3
113.83015	0.2
119.04952	0.4
119.08611	0.3
121.10119	0.3
127.03869	0.3
137.05981	0.6
139.03922	0.4
144.21091	0.2
145.04938	0.3
147.04433	0.6
151.03906	0.2
151.78960	0.3
163.03880	0.2
177.05576	0.6
197.12502	0.2
203.05231	1.3
203.11278	0.2
207.06573	0.3
289.14804	0.3
351.24902	0.3
363.23740	0.3
367.11536	0.2
381.26089	6.2
399.27231	1.8
531.31653	1.9
561.32477	100.0
562.32861	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	21.4
57.03421	8.9
61.47219	5.2
67.05507	72.6
69.07062	14.0
71.58791	7.8
71.59165	6.7
72.86370	6.1
79.05498	75.3
81.03404	7.6
81.07063	68.0
83.04996	17.6
83.08609	14.3
91.05508	52.6
93.07053	68.8
95.04959	17.6
95.08613	60.4
105.07027	42.9
107.04943	9.1
107.08601	18.9
109.06506	10.6
109.10149	16.1
117.06974	8.1
117.59922	5.6
119.04931	26.5
119.08595	31.7
121.10173	19.4
129.06995	13.3
131.08511	8.1
133.10117	18.5
135.11699	15.2
137.05989	100.0
139.07579	6.1
143.08627	8.6
145.10104	20.8
147.04434	15.0
147.11671	34.3
149.13174	8.3
149.32907	5.5
151.07526	14.1
159.11688	7.8
161.13335	12.2
167.07082	10.6
171.11723	28.1
179.07024	54.7
189.12775	7.3
207.13821	24.0
243.20969	7.2
243.25438	6.7
243.48158	6.0
261.22147	7.7
281.17444	51.0
335.25806	57.9
527.59003	8.1
541.38885	71.4
559.38696	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	559.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.3
55.01882	11.5
55.05260	2.5
55.05516	36.2
57.03444	12.3
65.03938	4.2
67.05508	61.1
69.03439	5.5
69.07076	25.5
69.59814	13.2
71.04989	5.0
71.62453	1.6
79.05497	55.9
81.03017	2.1
81.03422	79.7
81.07062	90.7
83.04977	10.6
83.08620	28.9
85.02908	2.1
85.06556	4.2
91.05480	54.8
93.07054	45.1
95.04979	34.5
95.08609	39.9
97.02925	3.5
97.06538	11.6
97.10172	14.8
99.08115	3.9
102.71004	1.9
103.05502	2.7
105.07038	51.3
107.04955	17.4
107.08598	27.6
109.06526	18.1
109.10163	20.0
111.04427	2.6
111.08107	9.8
115.05489	4.5
117.07019	15.0
119.04993	2.9
119.08588	39.1
121.02889	2.6
121.06525	9.3
121.10167	16.7
121.19990	1.9
123.08050	8.1
123.11719	9.1
125.09632	13.7
129.07022	16.8
131.05008	1.9
131.08571	29.0
133.06512	6.7
133.10130	23.1
133.10939	2.2
135.08102	7.5
135.11681	8.2
137.09683	4.4
138.32590	2.0
141.07022	3.0
142.07814	5.2
143.08514	9.6
145.06532	6.2
145.10117	17.0
147.08098	8.0
147.11685	24.2
148.98547	2.0
149.09639	14.8
149.13260	5.2
151.11200	4.1
153.48672	1.7
155.08543	4.4
157.06610	1.9
157.10136	13.3
159.08078	3.7
159.11676	10.5
161.09663	4.6
161.13327	4.4
163.11241	10.4
165.12804	6.6
169.10152	5.5
171.10385	1.7
171.11748	7.7
173.09663	3.1
173.13298	5.5
175.11266	8.5
177.12791	4.3
178.07654	1.7
183.11740	5.3
185.09694	1.8
185.13354	6.5
187.11215	2.6
189.11293	7.4
191.14326	1.7
193.12271	16.9
195.11823	3.0
205.12315	1.7
213.16582	1.8
219.13838	3.3
227.12668	8.3
249.14915	3.0
257.19138	4.4
267.15915	28.8
275.20062	42.8
287.23730	2.7
293.21155	12.6
297.22516	2.3
299.20255	6.3
315.23251	4.9
317.21173	3.3
349.23785	17.7
357.24597	1.7
421.31107	2.5
431.28946	3.2
439.32254	2.4
449.30542	8.7
467.31595	17.0
485.32401	8.8
513.35809	3.1
523.34344	2.9
531.37018	2.2
541.35327	54.7
542.35480	2.4
559.36395	100.0
560.36768	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
54.09555	1.3
54.53103	1.3
55.01857	4.6
55.05513	27.2
57.02314	1.4
57.03437	2.4
57.07077	3.0
65.03927	2.9
67.05505	48.2
69.03443	1.9
69.07071	16.0
71.04994	2.2
71.08618	1.9
71.27059	1.3
79.05495	35.1
81.03418	5.4
81.07057	46.7
83.04982	3.7
83.08621	14.7
85.06551	3.0
91.05479	33.0
93.07048	39.1
95.04955	8.5
95.08604	26.3
97.02895	1.9
97.06523	4.5
97.10168	13.1
99.00811	3.9
99.08105	1.5
105.07030	30.1
107.04972	4.2
107.08596	25.8
109.02884	5.3
109.06524	5.0
109.10162	18.8
111.04430	2.2
111.08076	3.3
117.06992	8.1
119.08572	19.5
121.06490	4.9
121.10140	15.6
123.04440	3.1
123.08075	3.6
123.11697	5.6
125.09627	11.8
128.06223	3.5
129.06996	5.7
131.08542	14.0
133.06473	3.9
133.10136	28.4
135.04413	1.6
135.08026	4.1
135.11708	11.6
137.09651	2.7
141.06970	2.3
142.07820	1.4
143.08537	9.4
145.06441	2.7
145.10138	15.8
147.08012	2.8
147.11713	10.6
149.09601	2.2
149.13257	6.2
151.11224	7.4
153.09088	1.9
153.12784	1.9
155.08601	2.2
157.10109	7.0
159.11668	7.7
161.09633	8.5
161.13258	4.6
162.40875	1.4
163.03894	3.6
163.11192	2.9
163.14874	3.1
169.10115	4.0
171.08005	3.1
171.11642	8.4
173.09726	1.7
173.13266	6.3
175.11163	2.7
179.10701	3.4
181.10133	3.4
183.11658	4.5
185.13287	3.8
186.67598	1.5
187.11134	1.9
187.14801	2.8
189.09129	3.9
189.11189	5.0
189.12721	1.6
195.11774	3.6
197.13264	2.0
199.11143	2.0
199.14815	2.3
207.10161	2.0
211.14751	2.9
223.14784	3.5
225.11243	5.4
227.12642	7.4
241.19360	1.5
243.12190	2.2
243.21082	3.1
259.20560	3.3
261.22171	8.9
267.15930	1.6
273.18457	1.8
275.20047	2.5
277.21704	4.4
281.13788	6.4
285.22064	1.6
287.23621	4.4
291.19568	5.2
297.22107	2.3
299.20221	1.9
313.21439	2.3
315.23215	15.6
317.24646	2.8
333.24228	2.2
335.21295	1.4
337.21793	1.4
421.31174	7.4
431.29614	2.5
432.38010	2.4
439.32034	3.7
449.30502	10.4
457.32907	3.4
467.31567	18.3
475.34406	1.7
485.32739	14.6
495.34470	1.8
503.63803	1.8
513.35730	17.1
515.37689	1.6
523.33893	3.1
531.36682	17.8
540.83875	1.7
541.35278	58.5
542.36298	1.8
559.36713	100.0
559.44720	3.5
581.60376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.2
53.50212	2.3
55.01864	11.3
55.05514	42.4
57.03442	10.2
64.95643	2.1
65.03948	7.0
67.05504	51.7
69.03434	6.3
69.07072	23.5
70.04205	11.6
71.05016	6.3
71.55574	2.4
73.02880	2.5
75.86750	2.1
79.05495	53.7
81.03419	59.0
81.07060	60.6
81.07520	4.3
83.04974	12.7
83.08613	35.6
85.02924	6.0
85.06575	3.5
91.05482	45.8
93.07047	37.3
95.04974	41.2
95.08616	24.8
97.02914	3.5
97.06550	10.9
97.10170	17.4
105.07038	44.2
105.07676	3.2
107.04977	18.2
107.08599	29.0
109.06526	14.3
109.10179	16.0
111.04514	4.5
111.08096	9.3
115.05455	3.0
117.07005	18.5
119.08572	23.7
121.06532	7.6
121.10169	16.2
123.08083	8.0
123.11735	5.9
125.09636	15.4
129.07021	15.6
131.04997	3.4
131.08562	26.4
133.06517	6.2
133.10126	15.5
135.08076	8.5
135.11703	7.6
137.09718	3.7
142.07761	3.3
143.08635	9.1
145.06543	6.0
145.10121	22.8
147.08095	5.7
147.11702	20.3
149.09602	16.6
149.13229	5.2
151.11220	3.1
151.69078	2.5
153.09138	2.7
155.08577	5.2
157.10143	13.4
159.08179	4.4
159.11676	12.9
161.09662	4.9
161.13263	3.9
163.11166	15.4
165.12799	3.3
169.10213	6.2
171.11784	8.9
173.09663	3.7
173.11848	2.8
173.13310	4.3
175.11278	7.5
175.14943	2.7
183.11801	4.7
185.09711	3.7
185.13365	6.9
187.11324	5.1
189.09813	2.7
189.11308	10.5
189.12744	5.4
191.10530	2.8
193.12259	16.5
195.11797	3.3
199.11339	2.5
205.12444	4.5
211.13277	5.8
223.13371	10.3
225.12810	3.0
227.12883	8.3
239.18034	3.2
249.14838	2.7
257.19089	3.5
267.15894	31.3
273.18692	4.0
275.17072	2.1
275.20081	50.4
291.19888	3.9
293.21176	7.9
299.20068	5.1
305.99289	2.8
313.22012	2.9
315.23441	7.4
317.21301	3.8
341.21210	3.1
349.23755	22.3
412.73199	3.2
415.24881	4.0
418.11765	2.6
431.28497	7.6
433.25812	14.9
449.30527	9.7
461.28992	2.6
467.31839	9.7
485.32935	7.1
523.34235	4.5
541.35284	49.8
559.36450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2147
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
55.05509	0.9
67.05505	1.6
69.07053	0.8
71.60035	0.5
79.05486	1.3
81.03417	1.4
81.07036	2.0
83.01080	0.7
83.04974	0.4
83.08602	0.8
85.08183	0.3
90.73989	0.3
91.05472	1.3
93.07054	0.8
95.01086	1.9
95.04970	0.5
95.08610	1.1
96.01867	0.8
97.06538	0.3
105.07027	1.1
107.08579	0.8
109.06541	0.5
109.10168	0.6
112.01384	0.3
113.02144	1.6
116.28988	0.3
116.72062	0.3
119.08585	1.1
121.06512	0.4
121.10165	0.5
123.08034	0.4
128.87495	0.3
131.04926	0.9
131.08540	0.5
133.10052	0.4
137.05991	0.5
145.10117	0.5
157.04764	0.4
163.04065	0.3
167.03191	0.7
167.07010	0.3
176.04395	1.7
179.22717	0.3
185.04221	3.7
185.05777	1.2
193.12189	0.4
197.08031	0.3
201.03761	0.6
201.05290	2.0
216.07564	13.2
217.08348	0.9
227.12767	0.3
256.43268	0.3
267.16061	0.6
275.20056	0.8
351.10486	0.8
365.12146	4.5
391.13638	1.3
467.31085	0.5
541.35596	0.7
559.21478	100.0
560.21722	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	559.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71580	0.3
55.05511	0.7
56.96573	0.6
57.03440	0.5
65.03955	0.4
67.05493	0.8
69.03435	0.4
69.07084	0.6
69.96149	2.1
70.06581	0.8
71.04997	2.7
79.05508	0.7
81.03421	0.6
81.07066	0.7
83.04993	0.5
83.08633	0.8
84.07589	0.4
85.02908	3.9
91.05495	2.5
95.04983	0.6
95.08598	0.6
97.02908	0.5
100.11287	0.6
105.07031	1.0
107.04947	2.6
107.08623	0.8
109.06507	0.5
109.10174	0.6
111.04442	0.6
114.10307	0.4
119.08638	0.4
129.03169	0.7
129.05466	0.5
137.06026	0.9
147.04420	0.5
151.03960	0.5
167.07089	0.7
175.42061	0.4
176.39661	0.4
182.15431	0.7
185.04214	1.0
210.14964	0.4
251.06883	1.5
300.43906	0.4
314.13522	0.4
331.09970	6.5
379.21579	0.7
399.43549	0.4
413.12070	1.3
437.13416	0.5
559.17963	100.0
559.29327	13.3
560.18079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01867	3.6
56.61896	1.3
56.96552	2.8
57.07354	1.3
61.02937	2.8
67.05495	1.7
69.03429	11.7
69.07077	1.8
70.06585	3.8
70.86681	2.2
70.87016	2.0
71.05003	2.1
73.02923	1.9
74.06116	1.4
79.05496	4.1
80.41568	1.3
81.03412	5.7
81.07063	3.4
85.02910	19.4
91.03929	1.7
91.05486	16.1
93.07035	2.5
94.04198	2.2
95.04962	4.3
95.08606	2.1
97.02886	8.3
98.97586	3.3
99.04475	2.7
99.25613	1.5
103.05474	19.9
105.07050	12.1
107.04959	23.6
107.08617	3.7
109.02857	3.5
109.06497	3.1
109.10171	1.9
109.71731	1.4
115.05473	5.6
116.06258	1.6
116.98643	5.0
117.07020	2.9
119.04945	15.2
121.06490	5.0
122.03632	5.3
122.07262	1.6
123.04429	2.3
127.03932	7.0
129.06992	5.5
130.04140	1.2
131.04942	36.6
131.08559	2.4
133.02831	2.5
133.06511	7.4
133.10156	1.7
134.99689	2.9
135.04462	2.0
135.08041	9.4
136.05203	2.6
137.05986	100.0
139.03966	1.6
140.66663	1.4
141.07042	1.2
145.04971	6.3
145.06497	2.7
146.07269	1.9
146.99684	1.4
147.04434	14.0
147.08124	2.3
148.05188	2.9
149.06000	8.7
150.06789	1.8
151.03928	2.2
151.07555	39.9
157.06514	4.6
158.07239	1.4
158.99719	1.3
159.04555	1.5
161.05994	57.9
161.09624	12.4
162.06760	6.0
163.07555	91.8
164.08301	1.8
165.07048	2.1
165.09131	3.0
167.07068	6.7
167.08559	3.4
174.06755	4.5
175.07570	18.6
176.08220	1.5
177.00740	2.2
177.05542	6.3
177.09117	20.8
178.07780	1.6
179.07071	16.2
179.10692	3.0
181.08630	11.3
187.07460	1.8
189.09125	46.6
191.07043	3.5
193.08606	3.3
195.08063	3.8
195.10170	3.3
197.06129	1.8
201.09123	3.1
203.07005	2.4
203.10643	2.0
207.10179	75.7
209.09766	1.9
219.10130	16.3
221.05934	2.7
221.09793	2.8
221.11734	8.8
223.07494	1.8
224.08398	2.0
225.09160	1.9
227.07158	1.4
227.10663	9.0
237.11362	1.4
238.06183	1.4
241.08537	2.1
253.08560	2.9
253.12244	4.9
255.10294	8.2
262.09552	1.3
263.09238	1.6
265.08560	2.7
267.10229	1.7
269.08017	1.5
281.11755	4.5
285.11386	6.8
287.09503	2.5
287.12787	23.7
291.12204	2.3
296.11633	1.7
297.11221	3.4
297.14490	2.2
299.12750	6.2
305.10086	2.0
311.12793	15.9
313.14322	25.5
324.26077	1.8
325.14343	5.2
331.15421	72.8
341.12183	1.7
343.15399	9.9
408.65802	1.4
427.19272	1.5
455.12314	1.4
476.67035	2.5
477.17654	4.1
477.67593	2.2
557.69196	2.2
558.20532	4.2
558.28375	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87177	0.4
53.03942	0.6
56.96535	0.5
61.02639	0.6
61.02928	7.0
62.39115	0.4
65.03934	0.6
69.03415	0.5
69.74110	0.4
70.06583	1.2
71.04990	0.6
71.32550	0.5
71.32878	0.7
72.08158	0.5
75.04459	0.8
78.04700	1.5
79.05504	1.9
81.03424	0.9
81.07052	0.7
84.08147	0.6
85.02914	2.4
87.04477	0.6
91.05493	2.2
93.03413	2.0
93.07041	1.4
95.04950	1.7
97.02895	0.6
97.06526	0.6
98.97586	0.7
103.05476	0.6
104.81992	0.4
105.07020	0.7
106.04192	4.2
107.04964	2.7
109.02863	1.1
109.10219	0.4
119.04898	0.7
120.31203	0.4
121.04508	0.4
121.06497	4.7
123.04423	4.0
124.05195	2.1
125.06013	1.4
127.03902	0.4
131.04895	1.2
134.03668	0.7
135.04404	0.6
137.05969	1.5
138.16078	0.4
139.03886	0.4
139.07544	2.4
147.04472	1.0
148.05115	0.5
149.05988	8.6
151.03883	1.6
151.07527	0.8
152.04688	1.6
153.05403	0.7
153.09077	2.2
161.05933	0.5
162.01364	0.6
163.03923	1.3
163.07611	0.7
165.09174	0.4
167.07042	100.0
170.41812	0.4
173.06125	0.4
177.05473	5.7
179.07068	0.7
181.05019	0.7
181.08583	4.8
191.07054	0.8
195.06537	1.1
197.28445	0.4
209.08098	30.3
223.04272	4.5
227.09148	25.6
312.09143	0.5
358.07990	0.5
419.17017	0.8
558.28149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87177	0.4
53.03942	0.6
56.96535	0.5
61.02639	0.6
61.02928	7.0
62.39115	0.4
65.03934	0.6
69.03415	0.5
69.74110	0.4
70.06583	1.2
71.04990	0.6
71.32550	0.5
71.32878	0.7
72.08158	0.5
75.04459	0.8
78.04700	1.5
79.05504	1.9
81.03424	0.9
81.07052	0.7
84.08147	0.6
85.02914	2.4
87.04477	0.6
91.05493	2.2
93.03413	2.0
93.07041	1.4
95.04950	1.7
97.02895	0.6
97.06526	0.6
98.97586	0.7
103.05476	0.6
104.81992	0.4
105.07020	0.7
106.04192	4.2
107.04964	2.7
109.02863	1.1
109.10219	0.4
119.04898	0.7
120.31203	0.4
121.04508	0.4
121.06497	4.7
123.04423	4.0
124.05195	2.1
125.06013	1.4
127.03902	0.4
131.04895	1.2
134.03668	0.7
135.04404	0.6
137.05969	1.5
138.16078	0.4
139.03886	0.4
139.07544	2.4
147.04472	1.0
148.05115	0.5
149.05988	8.6
151.03883	1.6
151.07527	0.8
152.04688	1.6
153.05403	0.7
153.09077	2.2
161.05933	0.5
162.01364	0.6
163.03923	1.3
163.07611	0.7
165.09174	0.4
167.07042	100.0
170.41812	0.4
173.06125	0.4
177.05473	5.7
179.07068	0.7
181.05019	0.7
181.08583	4.8
191.07054	0.8
195.06537	1.1
197.28445	0.4
209.08098	30.3
223.04272	4.5
227.09148	25.6
312.09143	0.5
358.07990	0.5
419.17017	0.8
558.28149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3475
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
53.03941	2.8
53.10877	1.2
55.01868	5.5
55.05509	19.3
57.03432	4.0
57.59213	1.2
59.05008	1.5
64.15623	1.2
65.03948	2.0
67.05508	27.9
69.03426	3.3
69.07075	13.9
70.09832	5.3
71.04970	2.7
79.05494	20.1
81.03413	25.2
81.07061	27.0
83.05000	2.8
83.08620	12.5
85.06539	1.7
91.05479	19.3
93.07039	18.6
95.04971	13.9
95.08602	13.8
97.02906	4.9
97.06504	3.6
97.10186	12.1
98.20805	1.7
105.07032	16.8
107.04950	8.7
107.08597	15.3
109.06528	4.8
109.10157	10.2
111.08078	4.1
115.05434	2.2
117.06992	7.4
119.04929	1.7
119.08594	12.3
121.06516	5.7
121.10146	6.5
123.08115	3.2
123.11752	2.0
125.09664	11.5
129.07024	4.4
130.07768	2.5
131.04865	1.4
131.08574	11.4
133.06509	4.9
133.10127	10.1
135.08058	5.1
135.11623	1.6
137.09605	1.9
141.06976	3.1
142.07802	2.3
143.08553	6.8
145.06512	4.1
145.10098	10.8
147.08076	5.1
147.11723	4.4
149.09630	2.1
151.11168	2.7
155.08591	2.2
157.06531	1.7
157.10173	5.7
159.08080	2.0
159.11710	6.5
161.09627	5.0
161.13350	2.1
163.11107	2.0
169.10165	3.5
171.08057	2.0
171.11584	2.5
173.09702	1.5
173.11766	1.9
173.13289	2.2
175.11237	4.1
181.10159	1.9
183.08038	1.4
183.11746	3.8
185.09740	2.4
185.13196	2.2
187.11168	2.3
189.11218	4.5
192.83182	1.4
193.12262	6.3
193.15675	1.4
195.11746	2.0
197.09761	1.6
197.13255	2.3
203.14359	2.1
211.14885	2.0
219.13890	6.2
223.13295	4.3
227.12616	6.8
229.88177	1.2
241.19965	1.2
253.14450	2.1
273.18369	6.4
275.20139	3.4
285.22079	2.4
287.19946	3.2
291.19592	22.7
295.20712	1.9
313.21658	7.9
347.22018	1.7
408.44846	1.4
437.30450	2.3
445.25961	5.8
447.28867	4.4
459.27829	2.1
465.30011	8.3
471.18561	2.1
483.31143	7.1
521.32861	1.7
529.35242	4.6
539.33679	24.9
557.34790	100.0
558.35229	6.1
567.46094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2993
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
53.03949	3.2
55.01862	4.6
55.05511	13.5
57.03431	8.8
57.06820	3.5
57.07082	46.6
62.25721	2.3
67.05505	28.5
69.07058	16.7
69.71449	2.4
69.97331	8.9
69.97739	6.3
71.08640	41.3
73.92535	2.3
79.05494	12.0
81.03407	8.1
81.07065	32.6
83.08620	20.0
85.10185	25.3
91.05489	7.2
93.07051	12.3
95.04956	6.3
95.08611	36.9
97.06519	3.2
97.10168	10.8
105.07010	6.5
107.04965	4.2
107.08595	5.3
109.02868	3.7
109.10146	17.4
119.08582	5.5
121.06526	3.4
121.10178	5.1
123.11703	7.8
123.75558	2.2
125.09689	5.2
131.08571	2.9
133.38770	3.2
163.11243	3.4
171.11783	2.7
191.00044	2.8
209.11620	2.8
239.23723	37.8
257.24786	5.3
275.12128	2.6
283.15436	2.5
291.19525	5.0
298.27313	3.1
313.27374	100.0
331.28433	3.5
467.37405	3.9
539.33600	3.7
550.27289	2.6
557.34619	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	557.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18552	1.3
57.17315	1.5
57.93220	1.2
58.67960	1.4
58.99862	1.4
66.46764	1.3
69.03447	2.0
69.60123	11.3
69.87362	1.5
77.00900	1.6
78.51319	1.4
81.03391	1.8
82.99861	2.9
90.22318	1.3
94.99870	1.3
97.02884	1.4
101.00873	10.5
109.02843	3.6
113.00853	2.2
117.03999	1.9
117.94341	1.4
119.01923	60.1
121.03501	1.5
124.02511	1.4
127.02444	6.5
131.01909	25.4
133.03516	1.9
135.04985	2.8
137.02957	16.0
142.03479	2.4
143.01904	29.2
145.03470	57.1
147.01414	3.6
147.05067	2.6
149.02980	8.3
155.01877	17.8
157.03432	9.8
159.05043	24.2
161.02962	52.0
163.04538	25.3
163.54515	1.3
167.01917	8.6
168.05098	1.6
169.03464	38.4
171.01462	4.3
171.05045	14.2
171.21252	1.4
173.02972	43.3
175.04521	4.6
175.11948	1.8
177.06140	2.7
179.01881	3.1
179.04065	2.3
181.03482	5.9
182.67924	1.5
183.05125	2.0
184.04520	2.6
185.02972	58.3
187.04529	97.8
188.04610	1.9
189.02449	17.0
189.06085	3.7
191.03984	4.0
193.03448	1.7
196.04562	2.4
197.02913	19.6
197.06654	2.1
199.04550	19.8
201.02393	2.4
201.06093	4.0
203.04002	22.6
203.05746	2.2
207.03441	6.8
208.04774	1.7
209.03076	2.0
210.06116	4.6
211.04544	16.3
213.02446	11.1
213.06165	4.5
215.00482	3.8
215.03978	12.9
221.05069	7.7
223.04504	4.4
225.02521	5.1
226.05568	1.5
227.04019	7.3
229.05585	9.1
231.03482	33.9
233.01396	3.1
239.03940	1.8
241.05687	1.9
243.03535	5.6
245.05070	91.1
246.05380	2.0
253.05898	1.7
255.03563	1.9
256.49478	1.6
257.01538	6.1
257.05127	3.7
263.06088	13.8
271.06659	16.3
273.04541	4.2
275.02521	52.5
275.06079	13.3
286.07904	1.6
287.02530	24.2
289.07581	2.7
291.05527	2.4
293.03568	24.9
293.07141	6.1
297.04630	1.5
305.03574	22.4
305.07242	9.8
309.35989	1.5
311.04474	1.7
315.05618	5.3
316.05365	3.2
317.03394	2.9
324.83173	1.7
333.06976	5.9
335.04657	28.4
335.08365	4.8
341.03558	5.6
359.04633	26.4
365.09491	9.1
377.05624	62.6
395.06717	100.0
396.06750	3.0
474.03357	1.5
521.09570	2.4
539.10962	12.2
557.11969	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.7
57.07077	100.0
59.05001	17.1
69.07052	3.2
70.18995	3.0
70.19398	5.3
71.08635	73.2
73.06551	1.7
81.07077	2.0
82.68901	1.4
83.08619	3.0
85.10184	57.1
87.04456	7.4
87.17136	2.0
89.06036	83.1
90.63676	1.5
93.07040	2.0
97.10187	1.9
99.11733	10.0
103.07588	4.6
107.07048	4.4
109.10113	1.9
111.72972	1.7
113.13322	3.3
117.09100	1.9
130.08609	4.1
131.07030	2.3
133.08604	72.4
137.54306	1.6
147.04434	2.5
155.17963	9.5
175.09740	4.0
177.11224	30.1
213.22081	9.9
221.13812	6.4
230.42598	1.6
239.14862	4.5
249.45967	1.8
257.24744	5.4
283.17584	4.9
290.44388	1.6
295.45572	1.5
309.19116	2.0
321.52054	1.8
327.20139	38.1
367.23520	4.0
371.22736	3.0
385.24326	2.3
539.41870	10.7
551.58545	1.4
556.44135	5.2
556.52448	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19425	1.7
53.38696	1.5
57.03450	2.4
58.75166	1.7
59.61354	1.6
61.37793	1.8
69.03425	6.1
70.06588	5.5
70.31471	8.0
73.02892	2.2
77.00922	1.9
78.94350	2.1
82.99866	3.0
85.02919	11.5
86.37022	2.2
89.98046	1.8
97.02893	5.5
98.09048	1.8
98.97614	2.0
101.00902	12.4
104.10686	1.9
116.98653	2.6
119.01923	49.7
127.02425	4.8
127.03920	6.0
131.01918	17.7
137.02956	8.1
141.03946	2.5
143.01892	25.9
145.03468	45.4
145.04716	2.9
147.04961	2.5
149.02959	5.4
155.01898	18.3
157.03456	8.9
159.05029	17.4
161.02969	48.0
163.04578	14.8
167.01944	6.6
167.07076	3.4
169.03459	35.9
171.01297	4.4
171.05017	15.1
173.02956	35.6
175.04538	4.3
175.11963	2.1
179.01968	4.3
179.03630	1.6
181.03471	5.2
183.05005	4.4
185.02951	56.2
185.04573	3.3
187.04524	79.6
189.02478	12.4
189.06085	4.0
191.03999	4.1
197.02969	21.2
199.04520	18.2
201.06073	4.1
203.03993	24.1
205.03534	2.5
210.06136	3.4
211.04521	13.4
213.02464	12.6
213.06032	4.7
215.00461	2.2
215.03972	16.4
221.05066	6.3
223.04456	2.8
225.02429	3.5
227.03975	10.7
229.05643	6.5
231.03520	28.3
234.75009	2.1
239.04001	3.2
241.05681	3.3
243.03535	4.8
245.05070	100.0
257.01443	6.3
257.05096	7.2
263.06171	15.0
271.06711	12.8
273.04590	5.0
273.08203	2.4
275.02533	48.8
275.06125	33.4
287.02536	17.9
287.05823	4.1
287.08792	2.8
293.03525	20.2
293.07159	7.4
296.09290	2.2
305.03537	16.6
305.07211	15.1
315.05527	3.3
333.06592	2.9
335.04617	18.3
335.08261	7.2
341.03513	4.0
359.04453	16.1
365.09381	12.3
377.05627	58.4
395.06720	74.4
539.10822	9.3
557.11707	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01881	1.9
55.05516	4.2
56.96544	0.8
57.03442	4.7
57.07074	3.6
61.02931	7.1
64.10090	0.7
65.03943	0.9
67.05505	5.2
69.03432	13.6
69.07063	3.6
69.94547	3.0
69.94959	1.3
70.06601	1.1
71.05003	1.8
72.08134	0.7
73.02914	2.9
76.17159	0.7
79.05485	0.8
81.03429	6.0
81.07063	14.9
83.08625	7.0
85.02911	100.0
87.04467	2.2
91.03973	4.3
93.07027	1.2
95.08611	19.7
97.02901	26.7
97.10182	6.8
99.04474	4.1
103.03987	1.6
105.07035	1.1
107.08562	1.0
109.02882	8.7
109.10162	28.7
115.11201	1.2
121.06596	0.7
121.10171	1.6
123.04497	0.9
123.11717	35.4
125.02386	1.4
127.03926	27.1
137.05991	1.9
137.13275	11.0
139.03957	1.4
139.14891	0.7
140.04701	8.1
145.04971	52.3
147.04445	1.0
149.06076	1.0
151.03897	1.2
152.65056	0.8
153.05423	1.1
163.06029	27.8
163.07402	1.6
167.07054	1.1
171.06668	0.8
177.16435	1.1
178.16768	0.8
179.07071	1.3
179.17964	36.3
181.04990	10.9
195.06471	0.7
197.19032	38.5
209.08150	1.0
225.07668	0.8
225.62134	0.6
231.06601	1.0
255.08694	5.4
258.67319	0.7
305.21048	0.8
325.11273	2.5
347.15222	1.2
359.24377	5.1
377.25656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	4.9
59.04994	1.2
61.02913	1.6
65.03929	1.8
67.05493	2.5
69.03129	1.3
69.03432	15.2
69.07068	2.5
70.06564	1.8
71.05000	1.9
71.57605	1.4
79.05493	1.9
81.03409	4.3
81.07044	4.1
83.08616	1.7
85.02913	16.2
87.04472	11.1
91.05484	100.0
93.07062	1.7
95.04976	1.3
95.08603	2.7
97.02889	15.5
99.04442	2.3
102.53879	1.2
105.07036	9.7
107.08598	2.8
109.10155	1.7
111.04448	1.8
111.08086	1.4
115.03937	19.9
119.04932	1.2
119.08604	1.7
121.10152	2.6
123.08102	1.3
123.11737	1.3
127.03950	2.3
131.04860	1.1
133.04977	24.6
133.10121	4.3
137.05901	1.3
139.03961	1.8
145.04915	1.6
161.09644	3.7
163.11176	5.4
167.06961	1.5
171.06567	1.3
179.10707	7.7
182.21025	1.3
211.13260	3.8
212.13625	3.6
245.08130	6.5
359.16803	3.0
556.28699	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	556.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	1.8
56.96569	35.6
70.67966	3.9
71.95264	1.2
74.97610	4.2
84.96040	4.7
85.02886	2.0
89.03915	2.7
89.75187	1.1
95.04977	3.4
97.02880	1.6
97.96763	1.5
98.97584	100.0
102.97072	1.3
110.97558	4.0
116.98624	94.9
117.03397	2.1
123.04430	8.8
128.98605	7.1
132.04443	8.6
132.98071	5.8
134.99664	69.2
135.04378	5.9
137.02254	1.3
140.00191	3.4
143.00174	3.7
145.02809	2.8
146.06085	2.0
146.99655	8.0
150.99155	16.7
152.98750	1.5
153.00745	8.1
158.01241	3.8
158.99643	17.9
159.03320	2.1
161.01241	7.0
161.04890	3.6
162.99155	2.9
163.03912	25.6
165.00677	1.7
169.00197	9.2
170.99643	3.2
174.99162	7.2
177.00714	33.9
177.02174	2.3
177.04359	2.7
179.05949	2.7
186.53868	1.7
188.07033	3.6
189.00713	1.5
191.05898	7.1
193.00208	45.9
195.01830	3.1
195.05411	2.0
200.02408	2.7
203.05910	9.3
205.03770	2.5
209.06906	2.6
211.01233	12.0
215.05949	4.7
216.01817	2.5
219.01755	11.6
219.05374	4.0
221.06836	1.8
223.04950	4.9
225.07919	1.5
229.03835	3.4
233.06990	8.2
235.01250	34.1
237.02846	18.9
237.06500	1.7
237.13583	1.4
242.03442	1.6
247.04904	39.7
248.02295	3.1
251.48961	1.3
253.02293	9.7
255.03949	1.6
257.10541	1.4
260.04501	1.4
261.06622	1.3
265.05960	25.5
270.06519	3.6
275.08017	19.2
289.05936	37.8
290.03189	6.3
295.03314	8.0
303.07626	2.0
307.06995	18.9
313.04507	3.8
330.08548	3.0
336.05823	1.3
349.08057	25.4
367.09152	23.2
368.06534	3.8
385.15427	1.8
390.10727	3.8
396.05704	2.3
425.09634	2.2
426.07095	21.7
480.11783	8.4
494.13589	1.8
520.11035	4.7
556.13470	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	555.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29824	1.6
55.01861	2.4
55.05503	4.6
56.96561	1.5
57.03437	1.7
61.02911	2.5
67.05495	1.8
69.03432	7.6
69.07069	7.6
70.06593	5.0
71.04985	4.3
71.57690	1.4
73.02901	1.5
79.05495	2.5
81.03419	4.7
81.07043	9.8
83.05007	1.9
83.08607	6.6
84.04485	1.5
84.08118	2.5
85.02907	25.6
85.06534	1.5
87.04424	2.0
91.05468	3.7
93.07060	4.7
95.04926	2.3
95.08608	15.7
97.02930	6.8
97.10167	5.1
99.04453	2.3
99.08101	7.6
101.07111	1.6
105.07037	2.2
107.08593	16.8
107.16163	1.4
107.81553	1.3
109.02895	2.9
109.10147	3.2
111.08085	4.5
112.08736	1.9
113.09638	2.1
116.07088	1.5
116.39369	1.4
116.98559	1.6
117.34692	1.4
120.50481	1.4
121.09306	2.7
121.10149	32.1
121.78850	1.3
123.04418	2.0
125.09631	6.3
127.03916	7.4
133.10165	1.8
134.89563	1.2
134.90691	1.3
134.99678	1.3
135.11676	6.4
137.05988	2.6
137.13251	4.2
139.03847	2.2
145.04976	8.8
147.04417	1.7
149.13174	1.8
150.65431	1.5
151.03856	2.9
152.94060	1.4
153.01814	4.7
161.05997	1.4
163.04022	1.4
163.06012	4.0
167.07056	2.2
171.75305	1.4
177.05440	1.9
177.16385	100.0
195.17432	30.9
207.06639	1.6
213.18484	36.6
223.23712	1.4
237.02841	1.7
273.07504	2.7
317.51846	1.5
545.53333	1.3
555.18268	2.0
555.26624	12.0
556.26123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.4
55.05499	3.6
56.67847	1.4
57.03434	2.5
57.07063	1.8
61.02927	7.4
67.05495	3.5
69.03431	10.4
69.07071	9.7
69.89024	7.6
70.06593	4.3
71.04976	2.6
73.02913	2.2
79.05488	5.6
81.03417	6.4
81.07058	14.8
83.04971	1.4
83.08617	3.5
85.02907	82.0
85.06520	2.2
87.04480	1.6
91.03946	5.3
91.05467	3.0
93.07047	11.3
95.04977	1.7
95.08608	35.1
97.02888	22.3
97.10169	2.2
98.21413	1.9
99.04442	4.9
99.07481	2.0
99.08096	30.2
105.07008	4.0
107.08605	19.7
109.02866	7.2
109.10170	12.4
111.08086	14.7
111.11729	1.7
113.09668	2.5
115.03947	1.5
119.08590	2.7
121.09313	2.4
121.10146	33.5
123.08052	1.3
123.11724	8.5
127.03926	22.7
133.04961	2.0
133.10072	1.4
135.11719	7.4
137.05981	2.2
137.13278	6.7
138.20920	1.2
145.04956	38.1
149.13257	2.4
159.11670	1.6
163.06021	18.7
167.07027	2.9
173.13316	1.4
177.05319	1.3
177.16388	100.0
179.05507	3.4
179.17917	2.4
195.15840	2.1
195.17477	33.3
219.17542	1.5
229.18004	2.7
230.18214	1.7
283.79355	1.3
303.19336	1.9
321.20532	2.3
325.11282	6.0
339.21573	2.4
357.22781	6.6
391.10312	1.5
392.10547	3.0
555.24451	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05517	3.4
57.03440	6.7
61.02937	4.2
65.23437	1.8
67.05511	5.0
69.03448	7.1
69.07063	4.9
70.06606	4.4
71.05001	21.5
73.02847	2.1
75.04511	2.3
79.05499	7.3
81.03427	3.2
81.07059	10.0
83.04988	2.4
83.08623	2.6
85.02905	37.5
87.04478	4.0
90.83748	1.8
91.05486	25.1
93.07024	2.3
95.05000	3.5
95.08628	6.1
97.02910	6.5
97.06546	2.2
97.10136	3.0
99.04507	3.0
105.07046	4.3
107.04957	100.0
107.08621	3.6
109.02872	2.2
109.10171	4.9
109.16467	2.1
111.04438	2.9
115.03983	3.5
115.05490	2.5
117.05447	2.1
119.04951	10.3
119.08556	2.7
121.06528	7.3
121.10151	5.2
123.11731	4.1
127.03942	4.7
129.04645	2.2
129.05463	11.8
131.04951	4.6
131.08678	2.7
133.06512	5.1
133.10182	3.3
137.06000	7.4
139.11249	2.6
141.90375	2.2
145.05025	2.6
145.06468	2.3
147.04420	4.3
147.06532	4.5
149.05948	5.0
161.05960	15.1
161.09650	3.7
163.11177	3.3
167.07098	4.5
177.05530	2.8
187.07610	6.2
191.07033	2.6
223.09647	10.2
236.10738	2.6
301.12930	3.1
321.24365	6.2
339.25339	7.3
554.27057	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	554.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
53.03949	0.1
55.01869	0.1
57.03425	0.2
61.02921	0.4
65.03931	0.2
67.05508	0.2
69.03430	0.8
70.06588	0.1
70.43882	0.5
71.75446	0.1
72.73972	0.1
73.02889	0.1
79.05475	0.3
81.03413	1.2
85.02902	3.0
91.05482	0.5
94.04169	0.9
95.04929	0.1
97.02879	0.9
103.05457	1.0
105.03399	0.4
105.07010	0.4
107.04957	0.3
107.08562	0.1
109.02883	0.3
109.06461	0.2
111.04442	0.1
111.71537	0.1
117.23885	0.1
119.04961	0.3
119.08548	0.1
120.52046	0.1
122.03654	2.5
127.03897	0.5
128.27094	0.1
131.04921	2.7
133.06512	0.2
135.25439	0.1
137.05971	100.0
138.06313	0.9
145.04968	0.3
145.06465	0.2
147.04419	0.2
151.07545	0.9
154.06206	0.4
163.07532	4.8
165.09155	0.2
175.07509	0.7
177.09166	0.2
179.07062	0.2
181.08588	11.7
182.11781	0.2
187.07524	0.2
189.09105	0.2
191.07053	0.3
195.10167	0.4
201.09064	0.1
203.07092	0.3
205.08591	0.3
209.08060	0.7
229.08582	0.3
243.10069	0.1
247.09630	0.2
259.09607	0.2
265.10748	0.3
267.16086	0.1
277.10767	0.2
289.10733	0.3
295.11670	0.2
307.11771	0.3
325.12766	0.2
374.29230	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	553.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.4
55.05517	8.7
57.07078	26.8
65.03947	1.1
67.05507	23.6
69.07069	8.0
70.04631	6.4
71.04993	2.2
71.08636	17.2
76.89104	1.1
79.05496	9.3
81.07062	19.7
83.04992	15.8
83.08623	9.7
85.02870	1.4
85.06532	1.9
85.10197	12.1
87.04478	1.9
91.05465	5.8
93.07039	12.9
95.04979	2.5
95.08609	18.3
97.06554	3.4
97.10187	4.4
98.20774	1.5
99.04470	3.8
105.07077	1.7
107.04991	1.7
107.08572	6.1
109.10169	11.7
111.04444	30.3
111.08076	8.8
113.89012	1.1
115.03926	8.7
117.07035	2.5
119.08593	6.2
119.99487	1.0
121.10140	13.5
123.11698	2.6
125.06001	1.4
129.05484	1.7
131.08559	2.5
135.11684	8.8
145.10135	8.5
147.04367	1.2
147.11714	2.0
149.09654	2.8
153.12758	11.2
155.08556	1.4
163.11176	22.8
173.09650	2.9
181.12244	22.6
181.13701	2.0
191.10672	27.9
209.11760	13.9
227.12798	40.2
239.23744	4.6
241.14418	4.1
262.33698	1.3
263.65317	1.2
406.00095	1.2
527.81641	1.3
553.41046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01870	1.5
55.05509	8.0
57.03434	2.6
59.05006	2.5
61.02925	2.8
67.05508	5.0
69.03430	9.4
69.07065	5.5
70.06594	2.2
71.04990	4.0
71.25164	2.7
81.03407	4.1
81.07072	6.3
83.04996	11.8
83.08624	6.2
85.02427	2.0
85.02914	22.3
85.06548	6.4
91.05482	2.4
93.07036	3.7
95.04986	2.8
95.08607	5.6
97.02885	6.9
97.06516	1.3
97.10158	1.8
98.94002	1.1
99.04460	1.4
99.08099	3.7
101.06046	1.6
105.07029	2.3
107.08600	6.0
109.02891	3.2
109.06534	1.1
109.10164	20.2
111.08072	2.2
113.87157	1.2
114.10250	1.4
118.86984	1.1
119.08559	1.4
121.10128	4.3
123.08071	1.4
123.11722	8.0
125.09624	2.8
127.03940	6.0
127.11223	6.9
131.04921	1.5
133.10118	3.4
135.11685	7.7
137.05978	6.0
145.04964	6.4
148.33371	1.2
149.13257	3.5
151.11206	1.9
153.12775	3.2
163.06114	1.6
167.07097	3.2
167.14301	8.6
169.12245	16.5
171.13843	2.1
175.14859	2.7
177.05428	2.0
177.16356	1.4
181.04912	1.4
185.15382	5.5
187.07533	1.2
193.15857	8.1
209.15375	2.4
211.09813	1.4
211.16945	37.5
229.18004	100.0
332.09766	1.2
333.05920	1.4
376.07938	1.9
391.10248	10.8
532.83850	1.4
553.31305	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	553.1557
Annotation	2'-hydroxy 3,6,7,4'-tetramethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.14045	0.5
53.03945	0.7
55.05499	1.4
57.03435	0.9
61.02908	1.7
65.03947	0.7
67.05502	1.5
69.03435	4.2
69.07038	0.6
70.06571	1.4
71.04981	1.9
71.59956	0.7
72.60766	0.4
73.02917	0.9
73.88618	0.4
74.31327	0.4
79.05491	1.1
81.03424	2.3
81.07053	1.4
82.17605	0.5
83.04971	1.5
85.02906	7.3
87.04481	0.6
91.03951	0.7
91.04967	1.0
91.05489	12.8
93.07059	1.1
95.04951	0.8
95.08590	1.9
96.04491	0.7
97.02916	2.9
99.04459	0.7
103.05412	0.6
103.98328	0.5
105.07030	0.9
107.04948	0.9
107.08549	1.1
109.02864	1.7
109.10159	2.4
110.06043	0.9
111.04482	1.0
114.10262	0.8
119.08573	0.7
121.02891	0.6
121.10160	0.7
123.11689	1.2
125.02419	0.6
127.03947	2.7
131.04910	0.6
132.04437	1.6
133.06471	0.6
135.11685	0.6
137.02315	1.2
137.05974	3.3
138.09164	6.7
139.03925	0.6
145.02821	0.8
145.04910	0.6
147.04482	0.7
149.02377	0.8
149.06017	0.7
151.03906	1.1
151.07545	0.8
153.01839	2.2
153.05554	1.3
161.05960	0.5
163.03966	0.7
164.04700	2.0
166.06258	0.7
167.03329	1.3
167.07021	3.3
167.14371	0.5
169.12225	1.0
170.06346	1.3
171.02905	1.0
175.07535	0.7
177.05518	1.9
178.06041	0.6
179.03433	2.3
179.07062	2.0
181.04968	1.6
183.02907	11.7
189.05649	0.6
193.04970	1.1
194.05801	2.6
196.07954	1.1
198.05394	0.5
199.02391	4.7
209.04604	0.6
209.08159	0.6
211.16939	2.0
214.09033	2.4
215.03542	0.6
221.08101	0.7
224.08025	0.9
229.18022	4.0
230.31894	0.5
238.04733	1.3
242.08530	0.7
243.06499	0.5
254.04533	1.1
255.05382	1.7
259.05872	0.6
260.09610	1.9
269.07962	0.7
277.06815	0.5
287.05597	1.3
302.10519	2.5
303.08670	0.6
305.06622	1.5
315.05148	1.0
331.08264	1.2
333.05908	4.0
343.04526	0.9
344.05200	0.8
345.06039	0.7
347.07620	1.0
359.07562	5.9
361.05560	19.2
368.11600	1.4
371.10864	0.6
371.15161	0.6
372.15268	0.7
373.15378	1.3
375.07217	1.2
376.07968	9.5
386.12766	1.8
389.11896	0.8
391.10260	100.0
392.10349	0.7
404.13950	1.4
431.15457	1.4
455.75693	0.7
553.19067	4.5
569.15472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1556
Annotation	6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside
Peak:m/z	Relative Intensity
52.13004	0.7
53.03950	0.9
55.05500	2.5
58.96789	0.7
59.54231	0.6
61.02930	0.9
65.53813	0.6
67.05499	2.7
67.60649	0.6
69.03416	2.2
69.07079	1.2
70.06583	2.6
70.72184	2.3
79.05486	0.8
81.03422	1.9
81.07058	2.3
83.04989	1.0
83.08612	1.0
85.02921	3.3
91.05499	1.7
93.07033	1.9
95.04972	1.2
95.08620	2.6
97.02895	1.7
97.06539	0.7
100.11266	4.1
103.05511	1.1
105.07021	1.8
107.04939	1.5
107.08607	1.3
109.02857	0.8
109.06594	0.9
109.10159	3.3
111.04478	1.1
114.10264	0.9
119.08533	0.9
121.02866	0.9
121.06571	0.8
121.10155	1.3
122.10505	0.7
123.04476	0.9
123.11723	1.7
127.03912	1.0
129.06956	0.6
131.04924	1.3
131.08580	0.8
133.10165	1.3
137.05998	4.9
137.22044	0.8
145.06528	0.8
147.04369	1.2
151.03975	0.9
151.07553	1.4
153.05505	1.0
161.06012	2.1
163.03922	1.3
163.07564	0.8
164.04727	1.4
165.05508	1.0
167.07074	3.6
177.05493	1.3
177.12773	0.8
181.05022	3.7
182.15433	3.4
183.02946	3.9
192.04152	1.0
194.05826	1.3
203.06924	1.0
207.06564	1.7
210.14951	2.7
259.05814	1.2
273.04089	0.9
287.05539	2.3
289.06979	1.1
290.04211	0.8
301.03320	1.0
305.06573	1.2
315.04803	1.1
318.03714	1.4
319.22574	1.5
320.22919	1.1
330.03741	2.6
331.08099	0.9
333.02368	1.4
333.05978	5.4
337.23773	2.0
338.24011	1.6
345.06265	1.6
359.07785	1.1
361.05594	14.3
375.07123	2.3
376.07898	44.4
391.10257	100.0
535.38232	1.7
553.15631	13.6
553.24158	1.1
553.39709	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	552.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	16.7
61.25572	3.0
67.05503	21.3
69.07069	9.0
73.91739	3.3
74.51679	3.1
79.05517	16.2
81.03415	5.6
81.07062	18.3
83.04971	7.5
83.08616	15.5
91.05489	20.8
93.07048	19.8
95.04984	22.4
95.08616	15.4
97.06536	4.3
97.10193	3.8
102.91687	2.8
105.07039	23.4
107.04967	7.6
107.08594	13.5
109.06494	4.1
109.10144	5.8
111.08111	3.4
113.25812	3.4
117.07062	5.7
119.08598	19.1
121.10138	11.6
129.07007	4.1
131.08586	7.7
133.10132	20.2
135.08040	4.5
135.11668	3.6
137.09628	4.0
145.10164	12.4
147.11716	8.2
149.09666	17.7
151.11145	3.9
159.11690	6.0
161.09602	4.3
163.11180	14.5
165.12740	3.7
173.09489	3.5
173.13235	3.5
189.11302	4.2
211.22292	2.9
211.24513	3.4
223.13272	19.4
239.18016	10.0
247.20738	3.2
257.18988	16.8
275.20084	100.0
293.21103	43.2
302.94321	3.6
376.70395	3.0
384.01416	3.4
423.94958	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	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20555	0.2
52.11483	0.2
53.25122	0.2
55.05517	0.5
56.05028	0.5
58.06623	0.5
60.08167	5.9
67.05510	0.4
69.26474	0.5
69.26889	1.6
71.07377	3.1
76.69054	0.2
79.05505	0.3
81.03419	0.2
81.07041	0.5
85.02908	0.2
85.10178	0.3
86.09708	29.0
91.05475	0.3
93.07019	0.3
98.21548	0.3
98.98466	2.6
104.10745	3.5
107.08588	0.2
109.10165	0.3
115.17752	0.2
119.08576	0.4
125.00010	19.3
131.08551	0.2
140.90685	0.2
143.01045	0.4
166.02637	0.2
181.03609	0.2
184.07346	100.0
185.07690	0.5
223.14821	0.4
258.10977	0.2
267.09204	0.2
294.14032	0.3
340.50241	0.2
381.66663	0.2
390.23523	0.2
534.32043	1.3
552.28186	6.9
552.33051	3.8
553.28284	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05740	0.2
55.05492	0.3
56.05022	0.5
57.03429	0.3
58.06607	0.5
60.04529	1.3
60.07882	0.3
60.08166	5.6
67.05503	0.6
69.03427	0.4
71.07378	2.7
71.59122	0.4
79.05500	0.4
81.03411	0.3
81.07050	0.7
83.04963	0.3
84.04482	0.3
85.02894	0.3
86.09708	26.8
91.05478	0.4
93.07021	0.6
95.04943	0.3
95.08595	0.4
96.04456	0.3
97.02884	0.5
98.98479	2.0
104.10746	3.1
105.07019	0.5
109.10182	0.4
125.00008	17.1
126.05526	0.5
127.03885	0.3
127.76464	0.2
138.05493	2.0
143.01057	0.5
144.06596	0.4
168.06508	0.4
184.07343	100.0
185.07753	0.4
186.07640	0.2
258.11084	0.3
268.61349	0.2
300.29010	0.6
309.67422	0.2
393.19141	0.2
446.22791	0.4
464.24203	2.1
500.31296	0.3
518.32367	2.3
525.39850	0.3
534.32361	0.3
552.28467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
53.66543	1.6
55.01872	4.2
55.05517	14.4
62.76135	1.7
64.74986	1.8
67.05505	13.1
69.07071	7.1
70.06568	2.2
71.04998	2.3
71.32397	2.2
71.32711	2.4
79.05498	16.0
81.03388	2.4
81.06579	2.5
81.07055	32.2
83.04980	6.5
83.08607	9.3
85.60091	1.7
91.05480	10.3
93.07061	15.6
95.04971	8.0
95.08610	14.1
97.06538	3.0
97.10146	5.3
105.07043	7.8
107.04939	5.3
107.08591	13.3
109.06512	6.0
109.10155	4.5
111.04455	4.2
111.08040	1.9
117.07021	8.0
119.08597	10.5
121.06474	6.0
121.10126	7.6
123.08085	3.0
123.11785	2.1
125.05926	1.7
125.09614	6.2
131.08566	3.6
133.10124	4.9
135.08125	4.7
135.11679	13.0
143.08492	2.9
145.10127	12.0
147.08047	6.3
149.09599	4.0
157.10129	2.3
161.09645	4.2
163.11188	23.5
171.11755	3.0
173.09665	2.3
181.12244	4.8
189.11237	5.6
191.10669	4.5
223.13371	3.2
227.12776	42.9
245.18912	2.4
255.17403	4.6
270.35245	1.9
273.18500	24.5
281.20316	1.8
291.19550	100.0
309.20679	6.7
466.75992	1.8
554.32495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79338	0.3
54.01908	0.2
54.79744	0.2
55.05488	0.3
56.05014	0.4
58.06607	0.6
59.22243	0.3
60.08168	6.0
67.05524	1.3
67.39664	0.3
69.07055	0.5
70.01371	1.5
70.50275	0.3
71.07384	2.4
74.86042	0.2
79.05476	0.9
81.03400	0.3
81.07038	1.1
83.08617	0.3
85.02916	0.4
86.09711	28.4
91.05482	0.5
93.07039	1.1
95.04949	0.4
95.08600	0.7
97.02900	0.3
98.98480	2.5
102.37360	0.2
104.10750	4.9
105.07034	0.7
107.08568	0.5
111.12888	0.3
119.08514	0.3
125.00015	19.4
131.08560	0.3
137.05995	0.4
143.00948	0.4
144.11877	0.3
151.96693	0.3
161.06009	0.4
166.02742	0.3
167.07014	0.5
184.07352	100.0
185.07713	0.5
205.64421	0.3
247.08409	0.3
310.18964	0.3
321.03531	0.3
367.24890	0.4
397.18777	0.4
452.23877	1.0
534.31824	1.5
552.33063	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	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.3
55.63280	0.3
56.05016	0.4
58.06593	0.5
60.08162	6.0
65.63979	0.2
67.05479	0.3
70.06573	0.3
71.00284	0.5
71.07369	3.2
79.05465	0.3
81.07041	0.5
83.29043	0.2
85.02923	0.2
85.84552	0.2
86.09705	29.5
91.05482	0.3
98.98462	2.8
104.10746	3.0
119.08531	0.3
125.00003	19.5
133.10146	0.3
143.01082	0.4
184.07338	100.0
185.07750	0.4
219.07047	0.3
232.47694	0.3
293.21228	0.6
294.14899	0.3
337.65186	0.3
397.20270	0.3
465.49460	0.3
534.31891	1.2
552.33038	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	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85146	0.4
55.01869	0.4
55.05510	0.6
56.05042	0.4
58.89092	0.4
60.08168	5.7
61.84458	0.4
67.05485	0.7
69.34982	4.4
71.07381	2.8
72.26423	0.4
72.56315	0.3
81.03419	0.6
81.07058	1.2
83.69065	0.3
86.09710	29.6
91.05427	0.6
93.07054	0.4
95.08582	0.5
97.02876	0.4
98.98463	2.6
104.10748	6.7
107.08567	0.4
109.06559	0.4
109.10182	0.4
119.08598	0.6
119.45663	0.4
125.00008	18.5
137.05971	0.9
138.54663	0.4
147.11684	0.6
184.07347	100.0
205.23418	0.4
223.14911	0.6
240.07768	0.4
264.72189	0.4
399.36380	0.5
412.54947	0.5
534.31964	1.6
552.33130	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	552.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01865	1.1
55.05513	3.2
57.03431	1.7
57.07047	0.8
59.04998	0.9
61.02923	4.8
67.05493	4.0
69.03085	0.7
69.03429	9.6
69.07069	7.2
70.06577	1.7
70.14490	2.1
71.04992	3.2
71.31125	0.6
73.02905	1.1
79.05496	2.8
81.03416	4.2
81.07061	10.7
83.04978	0.7
83.08629	4.6
83.18324	0.6
85.02908	48.5
86.09701	1.9
87.04475	3.4
89.03895	1.0
91.03935	2.3
91.05467	2.9
93.07054	7.4
95.04958	2.2
95.08064	0.8
95.08615	9.8
95.09180	1.3
97.02892	13.6
97.06535	9.1
97.10175	2.1
98.20782	0.8
99.04459	2.0
99.08070	0.9
105.07036	3.9
107.04982	0.8
107.08588	8.2
109.00262	0.6
109.02889	4.7
109.06514	8.4
109.10160	10.2
110.07140	0.6
110.34307	0.7
111.08041	1.6
111.11729	0.9
113.09621	0.8
115.03940	0.9
115.07557	1.5
117.03365	3.0
117.07043	1.0
119.08583	9.5
121.02863	0.8
121.10143	6.2
123.04438	0.6
123.08085	4.5
123.11712	15.9
125.09677	0.9
125.13230	1.4
127.03920	13.2
133.10135	21.8
135.11687	11.6
137.05968	2.6
137.09601	4.0
137.13255	1.0
141.12755	0.8
145.02888	5.5
145.04968	19.5
147.04359	1.1
147.11678	1.9
149.05978	1.2
149.13266	10.1
151.09967	1.3
151.11186	27.2
153.12761	1.3
159.11734	0.9
161.09651	0.8
163.06026	7.8
163.11160	0.8
165.12767	0.8
167.07040	6.9
175.14830	28.0
177.05472	11.7
178.05730	0.7
181.04831	1.2
181.12260	1.3
184.07451	0.7
189.09048	0.8
193.15884	45.1
204.08727	0.7
207.06448	1.0
211.16937	100.0
219.10124	0.7
221.08064	0.7
271.05978	1.7
289.09338	0.8
291.23160	1.6
293.21176	1.0
301.21741	1.1
308.71045	0.7
309.24228	2.4
319.22684	2.2
325.11307	1.8
325.23578	1.0
337.23706	2.8
355.24713	1.2
365.55511	0.7
393.68311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
55.05518	6.4
56.05033	5.0
58.99586	8.2
61.01168	1.2
67.05534	1.2
68.05019	4.1
69.03452	1.2
69.03839	1.1
69.07074	1.7
70.02959	6.2
70.76766	3.2
72.04518	4.1
74.00661	5.6
74.02454	1.3
75.02788	1.1
76.02235	10.6
76.04012	5.8
79.05502	2.2
80.05016	4.4
81.03429	1.8
81.05786	3.1
81.07048	3.4
82.06589	1.8
83.04980	2.0
83.06105	4.8
83.08624	3.4
84.04508	37.0
85.01132	24.8
85.01648	1.5
85.02904	2.3
85.04025	3.0
86.00660	28.0
86.98526	2.8
86.99061	50.6
87.02711	1.6
88.02202	2.5
91.05492	2.5
93.07067	1.3
95.04994	1.3
96.04486	3.8
97.01134	5.1
97.02904	1.5
97.10167	4.6
98.00642	2.6
98.99064	1.1
99.01389	1.2
99.05562	1.7
100.02217	4.1
102.03773	13.9
102.05547	10.5
106.06487	1.3
107.08641	1.3
108.04523	1.4
109.05255	1.2
109.07647	4.0
112.02196	27.0
112.03944	1.6
113.00594	4.3
114.03753	10.1
114.05477	1.4
116.01676	17.4
124.02210	3.9
125.09641	2.8
129.06596	4.5
130.03261	14.4
130.05003	17.3
132.01166	1.7
140.01654	3.3
142.03232	25.2
143.02756	31.8
143.04480	1.7
144.01176	4.1
145.06102	4.2
152.01601	1.5
153.06633	1.7
155.08159	4.2
156.06596	2.2
158.02733	5.8
162.02226	5.7
163.11197	1.7
168.04828	2.1
169.04289	8.7
170.01393	1.3
170.02734	4.3
171.02188	5.7
172.62059	1.3
177.03290	5.1
179.04868	8.1
181.06113	3.3
184.05984	1.7
185.03735	2.1
188.03860	3.5
188.05475	1.4
189.03299	100.0
196.04318	9.9
199.05417	1.5
199.07176	1.5
203.53285	1.2
205.06415	10.7
215.04865	45.8
217.06418	1.5
223.77898	1.2
224.03880	5.5
231.04271	1.6
233.05917	20.6
241.06429	2.9
243.04332	1.3
245.05899	7.8
257.07834	1.4
259.07547	3.9
266.12097	3.2
269.05856	2.8
284.13104	2.6
287.06946	17.5
299.06976	3.3
305.10773	2.1
320.15271	5.7
334.10703	3.3
338.54510	1.2
345.07614	3.1
353.07858	1.3
362.10291	15.0
387.15912	2.2
405.16919	9.5
423.17770	7.4
534.21271	2.5
552.14276	2.0
552.22302	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	551.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05511	15.2
57.07076	9.9
58.34316	1.8
60.76852	1.4
65.03941	2.7
67.05508	23.6
69.07069	16.0
71.25849	3.6
71.26191	2.3
77.03921	3.0
79.05497	23.1
81.07064	40.3
81.52602	1.8
83.04986	2.1
83.08186	1.7
83.08634	8.9
83.99355	1.4
85.06525	3.4
89.47144	1.6
91.05486	32.2
93.06467	3.4
93.07053	62.1
95.04973	4.2
95.08614	38.0
101.18768	1.5
103.05434	2.6
105.07037	67.0
107.08600	57.2
109.06546	3.8
109.10163	47.5
115.05411	3.2
117.07023	13.3
119.08588	100.0
121.10148	51.2
123.08091	3.9
123.11714	16.0
128.06209	5.7
129.07053	7.8
130.07794	4.6
131.08566	27.2
133.10133	58.2
135.08060	2.1
135.11696	37.7
137.09631	4.6
141.06982	4.1
142.07777	12.4
143.08601	25.2
144.09323	8.7
145.10130	73.0
147.11694	24.4
149.09627	4.0
149.13252	4.7
151.14735	2.0
155.08569	9.1
156.09334	9.6
157.10144	35.3
158.10918	5.2
159.11699	35.6
161.13272	11.9
163.11131	2.6
163.14870	4.1
165.07074	3.7
166.07655	2.2
167.08560	4.0
169.10149	18.9
170.10925	3.0
171.11694	25.1
172.12302	2.1
173.13268	23.4
175.14832	38.5
175.16272	2.9
179.08586	4.6
180.09389	2.4
181.10127	8.3
182.10869	6.2
183.11674	17.7
184.12384	2.0
185.13266	17.2
187.14848	16.7
189.16415	5.1
191.14415	1.8
193.10126	7.1
194.10898	3.3
195.11737	11.7
196.12465	4.7
197.13269	22.6
199.14801	11.5
201.16420	12.9
203.14174	2.5
206.10857	2.8
207.11723	6.5
208.12433	3.7
209.13277	17.1
210.13918	2.1
211.14879	12.4
213.16400	4.8
215.17986	2.8
219.11725	4.4
219.17448	3.8
221.13289	9.4
222.14021	2.7
223.14844	10.7
225.16440	8.9
227.17967	3.9
233.13284	3.8
235.14809	3.6
237.16357	7.7
239.17993	4.0
241.19531	3.9
243.17731	1.9
245.13373	2.4
247.14711	3.5
248.15593	2.2
249.16440	5.5
251.18057	3.3
253.19611	4.5
255.20912	2.1
257.19064	2.9
259.14899	2.4
259.20782	2.0
261.16290	5.1
263.17935	4.1
265.19534	3.3
267.21060	4.0
271.87234	1.8
275.17908	3.0
279.21115	2.2
283.20718	3.3
285.22125	4.1
291.38644	1.8
292.97650	1.7
303.20920	1.8
333.25494	3.1
345.25809	3.6
349.25189	2.9
376.63501	1.7
411.30591	3.4
429.31833	2.6
451.13486	2.0
495.36047	3.0
533.41534	5.6
551.42511	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	551.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01867	2.6
55.05497	1.6
56.69478	0.7
56.96575	1.3
57.03450	3.9
57.07071	0.9
61.02922	4.6
67.05492	3.3
69.03432	11.5
69.07066	2.3
69.83112	4.9
70.03053	0.7
70.06593	1.8
71.04993	20.2
72.08128	0.7
73.02903	1.5
74.00668	1.4
76.02232	2.4
76.04031	1.0
79.05483	2.2
81.03423	6.9
81.07058	5.2
83.04983	1.5
83.08606	2.4
84.04501	2.2
85.02909	40.2
85.04005	2.6
85.06550	8.7
87.04447	1.5
91.03941	2.2
91.05469	2.9
93.07044	3.9
95.04984	1.9
95.08601	4.2
97.02906	13.0
97.06535	1.2
97.10191	1.0
98.97569	1.6
99.04458	74.4
103.05444	0.8
105.07045	5.5
107.04945	3.2
107.08600	11.0
109.02894	6.7
109.06525	3.3
109.10162	6.5
111.04449	1.1
113.05933	0.8
113.09646	3.4
116.01687	1.8
116.98642	1.8
117.07076	0.9
119.08572	2.2
121.06534	0.8
121.10127	6.4
123.08085	10.2
123.11691	6.9
125.09673	3.6
127.03934	10.7
129.06970	0.9
130.05052	4.0
131.04878	1.6
131.08595	1.4
133.10138	9.3
134.99586	1.3
135.08084	1.4
135.11646	1.2
137.02376	0.8
137.05986	4.0
139.11171	2.6
143.79594	0.8
145.04977	10.2
145.10115	2.6
147.04349	0.8
147.11679	3.3
149.06000	1.3
149.09618	2.7
149.13254	3.8
151.03877	0.8
151.07558	1.1
151.11195	4.6
153.09128	1.0
157.06561	1.0
158.99715	1.1
161.06001	2.1
161.09674	1.0
162.02216	1.7
163.03920	1.3
163.06003	2.1
163.07478	1.5
163.11163	1.9
165.12779	1.5
167.07021	6.7
167.10730	2.6
167.14319	1.1
169.08643	1.0
169.12251	16.0
173.09686	1.2
173.13277	4.1
175.07558	1.7
177.00804	1.1
177.03296	8.7
177.04752	0.9
177.05457	1.0
179.04869	1.0
179.07027	1.1
181.04961	1.7
181.08563	0.9
183.13817	17.6
185.03819	0.9
187.07573	1.3
189.09125	2.9
191.10593	1.1
191.14330	5.3
193.08682	1.4
201.09100	1.0
203.06956	1.8
209.15392	9.7
211.16873	0.8
218.07292	1.2
219.08255	1.0
219.10182	2.6
227.12749	4.3
227.16426	100.0
228.16853	1.6
231.04494	1.2
233.09563	1.2
236.37407	0.8
247.07509	0.9
249.09007	1.4
261.09183	3.5
265.15680	0.8
271.13193	0.8
277.08606	3.6
278.09390	2.2
290.09088	1.2
293.11700	1.6
303.12714	1.5
306.07822	1.0
309.11249	1.4
312.12729	1.5
321.11212	1.6
325.10605	1.3
327.11917	1.0
339.12442	3.7
341.10339	0.7
341.13940	3.2
353.13687	4.1
359.14911	3.9
371.14993	16.2
371.19849	1.5
372.15292	0.9
389.21469	1.1
405.11899	1.0
405.16446	3.5
410.23715	1.1
423.18152	2.3
446.15869	1.2
477.18866	0.8
527.18597	1.4
534.21124	0.9
551.19611	3.3
552.22064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64854	0.4
56.05043	0.6
56.53197	0.4
58.06604	0.6
59.95883	0.4
60.08173	6.4
65.63776	0.5
66.62841	0.4
67.05505	0.7
67.65435	0.4
69.48805	1.9
69.49229	1.9
71.07360	2.9
73.34129	0.4
79.05492	0.4
81.07037	0.6
86.09714	29.9
88.10995	0.4
91.05440	0.5
95.08620	0.5
98.20738	0.6
98.98481	2.5
104.10753	3.1
107.08582	0.5
125.00024	18.9
137.70343	0.4
184.07359	100.0
188.05344	0.5
292.12595	0.6
381.70453	0.5
417.03278	0.5
455.09552	0.4
464.24200	3.1
515.47668	0.5
516.30884	1.2
532.31299	0.5
550.31604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05203	1.4
53.03939	2.3
55.05515	2.3
57.03448	8.0
59.04975	2.0
60.08154	2.0
67.05498	5.7
69.03434	29.5
69.07069	7.7
70.06586	2.9
70.94246	4.0
71.04981	2.1
79.05499	5.6
81.03416	5.4
81.07059	16.0
85.02909	36.5
85.06520	2.0
86.09708	9.6
87.04471	20.3
91.03947	2.0
91.05476	6.4
93.07059	12.9
95.04955	2.8
95.08608	28.2
97.02895	30.5
97.06516	2.6
105.07048	14.6
107.04959	2.1
107.08598	15.8
109.02885	4.1
109.06490	2.5
109.10182	12.6
109.12591	1.6
111.04427	1.8
115.03935	36.5
119.08603	12.7
121.06536	1.7
121.10155	9.2
123.04371	1.8
123.08101	3.0
123.11739	7.4
125.00008	4.7
127.03911	8.3
131.08553	2.2
133.04970	43.3
133.10127	9.7
135.08063	3.7
135.11728	3.5
137.06003	4.5
141.71159	1.4
145.04988	15.5
145.10133	2.1
147.04422	2.5
147.11708	17.1
149.09543	1.5
149.13258	1.8
150.07646	4.8
151.03932	1.5
161.13257	6.1
163.06021	11.1
163.07352	2.1
163.11212	1.7
163.14841	2.2
165.12723	3.4
167.06995	3.8
173.13277	3.7
175.14845	1.9
177.05449	2.6
184.07359	25.8
191.14348	6.8
203.17966	100.0
209.15338	8.7
221.19034	23.2
241.07051	2.4
259.08154	4.7
277.09021	2.2
295.10269	16.0
317.21121	1.6
318.65381	2.3
333.81607	1.6
335.22284	11.7
353.16287	2.4
353.23093	11.4
357.13229	1.5
383.24588	2.4
455.82199	1.7
489.80035	1.7
550.31964	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	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.5
58.06607	0.4
60.07876	0.4
60.08169	5.9
67.05502	0.5
71.07386	2.7
71.60092	0.6
78.94925	0.3
81.03433	0.4
81.07051	0.7
86.09711	30.7
91.05515	0.4
94.90128	0.3
98.98456	2.0
104.10748	3.7
125.00010	19.3
125.35685	0.3
145.10118	0.4
184.07347	100.0
398.08978	0.4
498.54840	0.4
532.30585	1.9
550.31470	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
55.05510	0.7
57.03437	0.8
60.07928	0.5
60.08171	5.9
67.05493	1.1
69.03413	1.2
70.62076	2.2
71.07355	3.1
79.05489	0.9
81.07057	2.6
83.04379	0.5
83.08610	0.9
85.02908	2.0
86.09714	28.4
86.10241	1.4
91.05473	1.6
93.07024	1.3
95.04985	1.2
95.08595	2.2
97.02882	0.8
98.98469	2.5
104.10746	5.5
105.07015	1.6
107.08576	0.9
109.10191	1.1
115.03925	0.8
119.08558	1.1
121.10171	0.8
125.00008	20.3
137.05994	1.2
145.04965	0.7
147.11729	0.8
148.65854	0.7
151.03883	0.7
154.08618	0.7
161.13229	0.7
167.07011	1.1
184.07353	100.0
203.17857	0.9
217.10678	0.5
221.18892	1.2
222.24899	0.7
239.20097	0.7
276.97641	0.6
283.18695	0.6
291.19565	1.4
335.22141	0.8
413.02701	0.7
532.29993	1.2
550.31580	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	550.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05041	0.7
58.06353	0.2
58.06629	0.5
59.07383	0.2
60.08165	6.0
67.05487	0.5
69.07064	0.2
69.48641	0.5
69.49088	0.5
70.06579	0.2
71.07375	2.6
79.05486	0.3
81.07064	0.6
83.08613	0.2
85.02869	0.1
86.09707	30.0
91.05471	0.3
93.07039	0.3
95.04966	0.3
95.08611	0.3
98.98463	2.5
104.10040	0.2
104.10746	3.8
105.07020	0.2
107.08601	0.2
109.10162	0.2
119.08589	0.3
119.27840	0.1
125.00008	21.0
131.08557	0.1
143.01070	0.4
166.02773	0.1
184.07343	100.0
185.07790	0.3
225.14081	0.1
258.11108	0.3
273.18622	0.1
291.19601	0.9
352.22787	0.2
438.22482	0.1
452.24039	0.8
514.29669	0.2
532.30231	1.3
550.31464	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	548.335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.03445	3.6
57.07074	2.6
59.04995	0.6
62.06073	0.7
65.03954	0.5
67.05505	5.4
69.07071	7.4
70.23473	1.0
70.23872	1.0
71.05000	0.9
71.08630	3.5
79.05492	3.0
81.03401	0.5
81.07056	9.3
83.04987	0.7
83.08614	4.0
85.06518	1.0
91.05471	1.4
93.07043	7.0
95.04948	1.5
95.08609	8.4
97.06535	1.3
97.10155	1.1
98.98492	2.6
99.08074	1.3
105.07044	2.8
107.08587	10.3
109.06496	4.5
109.10163	4.7
111.08096	1.6
119.08576	3.8
121.10141	7.5
123.08060	11.9
123.11709	1.6
125.09615	0.8
131.08516	1.1
133.10109	2.3
135.08073	0.7
135.11696	1.9
137.09613	1.4
137.13251	0.9
145.10112	1.7
147.04367	0.6
147.11681	1.5
149.09647	0.8
149.13295	2.4
151.14897	0.6
157.09984	0.5
159.11673	1.0
161.13249	1.1
163.14838	1.1
163.48297	0.5
165.12769	0.7
167.14371	2.4
175.14877	0.6
177.16428	3.9
179.14305	16.1
182.95024	0.5
184.07368	1.4
186.98938	0.5
193.15877	1.1
205.15967	0.5
213.00259	0.7
216.06332	1.0
263.20123	0.6
277.21570	3.4
291.22952	0.7
293.21332	0.5
305.28232	0.9
309.57184	0.4
315.26874	0.4
333.27872	16.1
334.87988	0.5
349.27307	0.8
351.28857	6.4
371.29358	1.0
376.32043	1.5
389.30612	2.5
407.31549	100.0
408.31943	1.2
487.28439	1.0
505.29221	2.4
548.39825	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	548.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05503	0.6
56.05030	0.6
57.03431	0.6
58.06622	0.4
60.07882	0.3
60.08165	5.8
65.69035	0.2
67.05488	0.9
69.03442	0.7
69.07062	0.4
69.55171	2.4
70.06578	0.9
71.07367	2.6
73.02917	0.4
79.05475	0.8
81.07055	1.2
83.92432	0.3
85.02901	0.7
86.09707	31.2
91.03979	0.3
91.05462	1.1
93.07024	0.6
95.04958	0.4
95.08617	0.4
97.02880	0.5
97.06535	0.4
98.98467	3.0
104.10744	3.9
105.07020	0.8
107.05026	0.3
107.08578	0.8
109.06516	0.3
109.10167	1.0
111.04482	0.5
114.10265	0.3
117.03368	0.5
117.07002	0.3
121.06516	0.3
121.10150	0.7
125.00006	19.8
127.03853	0.3
131.08513	0.3
133.10095	0.6
137.05946	0.6
143.01074	0.3
145.02840	0.8
145.10143	0.4
146.03169	0.3
147.04398	0.4
147.11746	0.3
149.05952	0.3
159.11658	0.5
163.11153	0.5
167.07080	0.8
170.05818	0.3
175.11877	0.4
177.05502	2.5
178.05811	1.3
184.07339	100.0
185.07747	0.5
185.36186	0.3
201.16292	0.5
207.06700	0.3
219.17410	1.3
237.18510	0.7
262.16479	0.3
275.07239	0.3
311.46909	0.3
452.49197	0.3
530.28546	1.6
548.21313	0.6
548.29767	8.7
549.84827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.4
56.05031	0.6
58.06628	0.5
59.07393	0.2
60.08167	6.7
60.85128	0.1
64.27809	0.1
65.03982	0.1
67.05500	0.4
69.03419	0.2
69.07069	0.4
70.06586	0.2
71.07377	2.9
71.23892	0.2
71.24245	0.1
77.56873	0.1
79.05496	0.5
81.03432	0.2
81.07058	0.9
82.07410	0.2
83.08612	0.1
86.09709	30.6
87.10038	0.1
91.05452	0.3
93.07057	0.2
95.04962	0.2
95.08585	0.2
97.02885	0.1
97.10178	0.2
98.98462	2.9
103.05509	0.1
104.10749	3.9
105.07028	0.3
107.08621	0.2
109.06519	0.1
109.10181	0.2
119.08591	0.2
121.10160	0.2
125.00011	21.7
125.09621	0.2
126.00330	0.1
133.10110	0.1
143.01057	0.4
149.13347	0.1
167.06921	0.1
168.04524	0.1
184.07349	100.0
185.07718	0.6
223.13435	0.1
258.11102	0.3
276.20602	0.2
350.24088	0.3
368.25198	0.4
390.58780	0.1
461.00690	0.1
530.28802	1.1
548.29877	7.5
549.29810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01862	5.1
55.05512	29.2
56.22728	2.0
56.23898	2.2
57.03432	8.5
57.07076	9.2
66.48779	2.0
66.67110	2.3
67.05506	47.5
69.03437	4.0
69.07066	22.6
69.37865	21.5
69.81621	2.2
71.05000	5.4
71.08633	13.7
79.05500	32.6
81.03416	39.9
81.07059	57.8
82.49127	1.9
82.60572	2.1
83.04984	6.6
83.08619	21.7
85.02910	3.1
85.06538	5.0
85.10189	7.0
87.04476	4.2
89.06032	19.7
91.05482	30.3
93.07050	33.6
95.04976	28.5
95.08605	39.5
97.06537	5.0
97.10164	15.8
98.20729	2.8
99.37105	2.2
105.07035	23.5
107.04963	5.8
107.08596	23.1
109.06528	3.8
109.10167	25.2
111.08102	4.8
112.41787	2.0
117.07051	9.1
119.08580	22.2
121.06515	13.6
121.10161	18.8
122.06819	3.3
123.08079	2.3
123.11738	6.3
125.09650	9.4
129.07018	7.2
131.08531	12.3
133.08598	14.1
133.10110	12.7
134.08932	3.4
135.08051	3.5
135.11699	7.3
137.13235	2.8
143.08524	2.6
145.10156	8.1
147.04422	4.2
147.08064	6.0
147.11746	7.0
147.31735	2.3
149.09642	5.8
149.13307	4.5
157.10147	9.2
159.11731	5.0
161.13318	3.4
163.11179	4.9
163.14873	2.9
164.11534	2.4
171.11777	4.0
173.13312	4.4
175.11176	4.2
175.14885	4.3
177.11299	4.6
177.12865	2.7
189.11211	3.7
193.12268	14.7
211.13350	6.4
212.13745	2.8
221.13632	2.3
227.12814	8.8
241.18159	2.2
248.21103	2.8
249.14972	2.7
255.16144	2.6
263.23740	4.3
267.15921	29.3
292.23633	3.4
303.26825	6.1
337.27417	23.3
400.82999	2.0
404.17392	2.2
404.23727	4.2
437.34299	3.6
455.35327	10.0
473.36499	9.0
501.40201	2.2
529.38934	50.4
530.38055	7.8
547.39825	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.4
55.05292	2.1
55.05516	17.8
57.03422	4.9
57.07066	4.2
67.05511	39.6
69.03443	1.7
69.07079	15.0
69.58337	15.3
71.04991	7.6
79.05502	23.6
81.03412	17.4
81.07056	34.7
81.54955	1.8
83.08621	14.7
85.06530	4.0
91.05486	20.2
93.07054	24.3
95.04974	10.3
95.08604	24.8
97.06522	4.7
97.10157	8.1
105.07046	21.6
107.04949	6.2
107.08590	18.3
109.06535	3.6
109.10159	15.4
111.08083	2.2
114.07420	1.9
117.07006	5.4
119.05061	1.8
119.08585	22.6
121.06501	4.4
121.10136	11.4
123.11748	2.8
125.09574	4.7
128.06154	2.2
129.06998	4.7
130.07889	2.1
131.08589	10.3
133.10130	12.6
135.11699	9.4
135.32582	2.0
137.09586	3.1
139.50262	1.9
142.07732	2.3
143.08540	6.2
144.09331	2.1
145.10152	13.7
147.11688	6.3
149.13293	4.5
155.08531	3.1
156.09300	2.9
157.10126	8.6
159.11687	6.3
161.13210	2.7
163.11208	4.2
163.14793	2.9
165.12794	2.5
165.82652	2.0
167.08577	2.2
169.10138	6.3
171.11665	6.9
173.13310	6.0
175.14899	4.5
181.10088	4.1
183.11702	5.6
189.11301	2.3
193.10239	3.7
193.12109	4.7
194.40535	2.3
195.11668	4.8
197.13257	3.2
199.14844	3.7
201.16396	2.7
207.11754	2.9
209.13232	5.2
211.14975	2.7
215.17914	2.1
221.13281	2.6
227.12834	6.5
237.16516	2.3
247.14847	2.8
261.16376	2.8
267.15875	16.4
269.13205	2.2
285.16376	3.5
287.23721	1.9
299.17413	1.9
303.26782	3.9
316.80908	2.1
317.22552	1.9
337.27454	12.5
343.26382	2.1
390.17950	1.9
407.27414	2.0
455.35052	7.2
473.36212	4.2
503.37524	3.6
515.37091	7.2
529.38800	34.7
547.40216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01866	5.7
55.05512	22.0
55.33615	1.4
57.03435	5.7
60.80753	1.4
61.02921	2.8
63.40320	1.2
65.03933	1.6
67.05502	26.8
69.03428	4.0
69.07079	11.5
70.06574	1.5
71.04981	4.2
79.05492	20.7
81.03416	8.6
81.07057	21.0
83.04980	8.8
83.08622	16.0
85.02911	5.1
85.06561	2.1
91.03934	1.4
91.05476	16.7
93.07049	22.1
95.04360	2.3
95.04971	41.6
95.08608	14.3
97.02869	3.8
97.06533	2.9
97.10149	7.8
99.04460	4.2
103.05473	1.6
105.07037	18.5
107.04959	7.8
107.08596	20.7
109.02917	1.7
109.06524	5.0
109.10173	13.1
111.04445	11.3
111.08073	4.5
114.10311	1.7
117.07017	5.2
118.62180	1.4
119.04910	2.2
119.08574	12.3
121.06506	4.9
121.10162	10.7
123.04413	1.6
123.08095	3.6
123.11704	2.0
125.09655	6.7
127.03935	1.8
131.04890	3.7
131.08539	7.6
133.06520	2.3
133.10144	8.5
135.08057	5.4
135.11705	5.8
137.05983	3.0
137.09607	2.5
143.08554	2.3
145.02916	1.7
145.06488	3.5
145.10106	13.5
147.04437	2.5
147.08115	2.4
147.11681	5.8
149.09634	16.7
153.09067	1.8
157.10155	2.2
159.11723	7.2
161.06018	3.7
161.13255	2.8
163.11208	17.0
167.07068	3.0
169.10139	1.6
173.05971	1.8
173.11842	1.7
173.13303	2.3
176.33208	1.3
177.05537	4.5
177.12781	2.0
184.07431	2.6
187.11172	3.1
189.05478	3.2
189.11214	8.7
191.10617	1.5
191.14430	1.3
205.12253	3.5
207.06502	2.6
211.07422	1.4
223.13301	28.9
227.12703	2.2
229.14346	3.0
239.18004	2.5
247.20845	1.7
257.18997	3.9
261.09296	1.2
273.14774	2.2
275.20056	33.9
291.10568	1.4
293.21118	22.9
301.14288	9.2
324.03592	1.3
349.23788	9.9
367.24777	100.0
375.17740	2.5
403.14551	1.5
517.28241	2.6
529.28113	6.0
547.20215	1.4
547.29205	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	547.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95628	3.6
51.97057	2.7
53.03946	9.1
54.51859	3.4
55.01873	16.9
55.05512	49.3
57.03437	22.6
60.05646	4.4
61.02929	42.4
63.12132	3.6
64.62309	3.0
67.05173	4.0
67.05509	54.8
69.03442	28.1
69.07074	20.5
69.37865	28.3
69.38279	4.9
70.06583	11.2
71.01352	4.3
71.04994	9.6
71.08632	20.2
73.02928	18.9
77.74001	2.8
79.05498	42.1
81.03422	40.4
81.07064	50.0
83.04997	16.5
83.08617	38.3
85.02908	53.9
85.06541	5.5
87.04508	3.7
91.03966	19.1
91.05492	36.2
93.07048	35.7
95.04972	37.5
95.08614	22.9
97.02885	38.8
97.06532	9.6
97.10172	45.0
99.04453	11.1
99.08098	18.4
101.02390	6.0
103.03960	4.9
103.05473	5.0
105.07034	25.9
107.04972	16.4
107.08610	38.1
109.02874	15.3
109.06538	9.3
109.10196	19.7
111.04423	19.7
111.08076	11.2
112.08731	3.6
113.09703	4.2
115.03919	5.9
117.07009	12.0
118.49642	3.7
119.04942	8.5
119.08585	15.6
121.06542	7.1
121.10146	19.6
123.08077	6.8
123.11739	4.8
125.06025	5.2
125.09623	38.5
127.03927	19.4
128.32645	3.4
129.07014	5.4
130.44336	3.3
131.08566	11.0
133.06488	3.7
133.10127	12.1
135.08009	11.3
135.11684	11.9
137.05981	11.8
145.04987	8.1
145.06491	6.2
145.10144	10.8
147.04419	10.7
147.08017	5.9
147.11703	13.2
149.00575	3.7
149.09610	14.8
151.11169	7.7
153.09103	13.6
153.12666	5.7
155.08473	4.5
159.07982	3.7
159.11664	12.5
159.15930	3.4
161.06032	5.3
161.09624	8.6
161.13190	5.0
163.11180	33.1
165.12781	7.4
167.07040	10.9
167.10674	5.9
169.10030	4.0
171.10086	5.7
175.07588	4.2
175.11923	6.2
177.05527	9.8
177.12778	16.3
181.12248	6.0
183.06488	3.8
184.48196	3.4
187.07463	3.8
189.11212	47.6
191.10707	7.2
191.14244	5.3
193.12234	6.5
195.13785	10.3
207.06531	13.7
209.11716	5.0
223.13240	11.1
227.12776	28.9
229.14127	4.9
229.19611	3.9
235.73557	3.4
247.20486	4.3
257.19150	8.2
267.15915	6.1
275.20111	54.2
293.17780	5.5
293.21118	100.0
301.14291	5.8
311.22134	7.1
349.23837	16.1
367.24765	38.4
369.13239	4.6
385.25906	55.2
391.24844	5.7
396.15253	4.4
475.27182	4.5
547.31238	27.6
574.38733	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	547.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03048	0.7
55.01869	0.8
55.05510	1.6
57.03431	1.1
61.02928	1.5
67.05490	3.3
69.03411	2.9
69.07074	1.8
70.06586	2.1
71.24644	1.6
72.08167	0.9
76.44569	0.8
79.05485	2.1
81.03441	3.7
81.07041	3.3
83.04983	1.3
83.08595	1.2
85.02895	5.0
86.09686	2.1
89.03900	3.5
91.05481	3.8
93.07046	1.8
95.04971	1.6
95.08574	1.2
97.02872	1.4
98.97582	0.9
105.07058	3.5
106.04142	0.8
107.04972	1.7
107.08598	4.2
109.02883	2.0
109.06553	1.3
109.10160	3.5
117.03377	11.9
117.07052	1.0
119.04945	0.9
119.08573	2.7
121.06487	0.7
121.10128	2.5
122.07244	1.0
123.04430	0.9
124.99958	1.2
127.03851	0.8
131.05055	0.9
131.08548	1.5
133.10135	16.0
135.04388	2.1
135.08064	2.0
135.11644	1.2
137.05992	1.3
137.09612	7.8
145.02846	41.4
145.10184	0.8
147.04366	1.9
147.11674	1.2
149.05968	5.6
149.13254	1.5
161.06010	1.7
161.13185	0.9
167.07100	1.4
173.13248	0.7
175.03918	0.9
175.07600	1.3
175.11864	2.4
177.05472	100.0
181.04948	0.7
184.07321	5.1
186.05479	2.9
191.14252	4.6
195.06540	1.7
199.63870	0.8
201.93465	0.8
203.17992	0.9
207.06529	1.7
218.16135	0.8
267.13174	0.9
298.48831	0.8
301.14035	0.9
321.09634	2.9
327.12375	1.2
339.10675	7.0
349.23166	1.0
367.30563	0.9
483.61884	0.8
529.28278	1.1
547.33911	1.6
547.99365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01878	1.1
56.05043	0.6
57.03442	6.1
58.66495	0.5
59.05007	100.0
61.02923	0.9
67.05523	0.7
69.03439	2.3
69.07090	1.5
70.06606	1.4
70.32609	0.5
71.04982	1.3
74.06104	0.9
79.05510	1.3
81.03431	2.1
81.07073	1.3
83.04987	0.6
84.04520	0.5
84.08192	0.5
85.02908	5.3
85.06569	0.6
86.09772	0.6
87.04492	0.8
91.05498	1.1
93.07053	1.3
95.04971	0.5
95.08642	0.5
97.02917	1.7
97.06548	1.4
99.04507	0.7
99.08122	1.6
100.07655	0.9
101.09676	1.1
105.07062	0.9
107.08598	1.3
109.02894	1.5
109.10220	0.6
115.07601	2.3
116.01701	0.8
117.09143	34.7
119.04958	0.6
119.08597	0.6
120.08090	0.6
121.10176	1.1
127.03943	1.6
133.10182	0.6
135.10179	1.4
137.06049	1.7
145.02875	1.1
145.10187	0.6
147.04434	0.8
151.93367	0.5
158.11934	0.8
161.09634	0.6
163.11285	2.0
167.07137	0.8
169.08659	1.1
175.07680	0.5
175.13324	19.7
177.05507	3.9
182.58614	0.5
193.14473	1.7
219.01895	0.7
227.12820	2.7
233.17545	6.7
251.18539	2.7
267.09976	1.1
291.21579	0.6
309.22943	1.4
327.27448	0.6
345.59180	0.6
361.09348	0.6
367.26950	31.2
384.11026	1.8
384.23132	1.1
418.20685	0.6
546.26361	0.8
546.33466	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	546.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
55.05512	5.4
57.03434	3.6
57.07067	1.5
62.06083	1.1
67.05514	7.4
69.03426	0.5
69.07075	7.0
69.52790	2.5
69.53206	1.1
71.04995	1.3
71.08632	4.5
79.05496	4.1
81.03423	0.8
81.06585	0.8
81.07059	12.4
82.07368	0.6
83.04981	1.3
83.08626	4.0
83.32954	0.4
85.02895	0.5
85.06548	1.3
91.05492	4.8
93.07047	7.9
95.04964	1.3
95.08600	8.7
95.09164	0.7
96.08973	0.4
97.06552	2.1
97.10175	1.2
98.98483	2.7
99.08100	2.4
105.07032	6.2
107.08598	8.0
109.06525	7.0
109.10157	3.4
111.08105	1.1
114.10331	0.5
117.07006	1.2
119.08587	8.1
120.08930	0.5
121.06542	1.2
121.10146	5.4
123.08076	12.9
123.11712	1.5
125.09626	1.2
129.07008	0.6
131.08557	2.2
133.10133	7.6
135.08055	6.7
135.11667	2.5
137.09625	1.3
137.13246	0.6
143.08578	1.3
145.10146	3.7
147.11691	5.4
149.09604	2.2
149.13310	2.3
157.10158	1.7
159.11667	2.4
161.09639	1.3
161.13280	1.4
163.11211	0.8
165.12767	1.4
167.14368	0.8
169.10213	0.5
171.11740	0.9
173.09621	0.8
173.13289	2.0
175.11320	0.7
175.14836	5.0
177.12756	2.9
177.16376	0.9
179.12744	1.0
179.14320	20.9
185.13237	0.4
187.14940	0.7
189.16505	0.5
191.14281	0.7
193.15875	1.0
205.15878	3.1
216.06386	1.7
221.15585	0.5
223.16986	0.5
231.15959	0.5
233.19093	1.1
263.20132	1.4
267.15829	0.6
268.16211	0.5
275.20108	1.5
277.21600	1.1
287.23804	0.6
289.21661	5.1
289.24765	0.7
293.21182	1.5
303.26944	1.1
319.22604	1.4
331.26324	11.5
337.23825	1.2
347.25882	0.6
349.23511	0.8
349.27429	6.0
357.27917	0.8
361.27390	0.8
369.27838	0.9
374.30627	1.1
375.29041	1.3
387.28983	5.6
405.30011	100.0
406.30322	1.5
485.26401	1.3
503.27768	5.0
528.37714	1.3
546.31854	1.7
546.39447	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	546.328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74169	2.2
55.05503	7.1
57.03439	5.0
60.03632	1.9
67.05511	14.3
69.03432	4.7
69.07061	8.5
69.54707	2.1
70.06624	1.9
71.59538	2.1
71.59933	3.6
73.02908	3.7
79.05489	8.2
81.03439	4.9
81.07067	15.1
83.04984	3.2
83.08622	3.4
85.02908	4.9
91.05474	8.3
93.07043	13.1
95.08619	7.9
97.02865	5.0
97.06554	3.9
97.10146	2.6
102.06214	2.1
104.34212	2.3
105.07050	13.0
107.08582	6.9
109.06532	5.8
109.10162	5.0
115.03915	2.4
117.06974	2.5
119.08575	8.2
119.35895	1.9
121.06499	5.1
121.10156	6.0
131.08559	7.9
133.04965	2.6
133.10120	10.4
135.08029	3.0
135.11693	3.9
145.04909	2.7
145.10101	6.9
147.07977	2.4
147.11687	7.0
149.09570	4.0
149.13231	2.3
151.11214	2.9
156.87454	1.9
159.11736	5.8
161.09596	2.2
161.13187	2.4
163.11194	5.1
175.11136	3.0
189.12814	3.2
189.16464	2.7
201.12758	3.1
207.13762	2.5
209.14758	2.2
210.08640	1.9
235.16988	7.3
239.17995	2.3
247.20634	2.2
257.18945	2.8
275.20071	29.8
293.21048	3.4
349.23773	100.0
487.18179	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	546.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16119	1.3
52.32306	1.4
53.03939	1.7
54.72551	1.6
55.01864	2.5
55.05503	7.7
57.03428	4.5
61.02907	1.7
62.91870	1.6
64.50999	1.6
67.05509	12.7
69.03425	4.7
69.07067	7.8
69.29456	1.6
69.43826	15.9
71.04973	2.6
73.02911	1.7
79.05497	12.1
81.03420	6.0
81.07062	14.7
83.04971	4.2
83.08581	3.5
85.02906	6.0
85.06548	2.6
91.05486	12.7
91.79462	1.7
91.95309	1.9
93.07059	14.4
95.04972	5.8
95.08602	11.3
97.02894	3.4
97.06519	3.6
97.10175	2.1
100.93715	1.7
105.07041	13.4
107.04961	3.9
107.08603	10.8
109.02888	2.0
109.06521	6.8
109.10153	6.0
117.07031	5.5
119.08610	10.7
121.06499	6.0
121.10130	5.3
123.04483	2.3
123.08063	2.9
123.11722	2.1
127.03920	4.2
131.08569	13.0
133.06496	2.7
133.10153	10.3
135.08052	3.4
135.11714	5.0
137.09630	2.2
143.08618	2.0
145.06514	2.7
145.10126	6.0
147.08075	2.8
147.11691	6.5
149.09586	3.2
151.11105	2.3
156.49678	1.7
157.10138	2.7
157.30838	1.9
159.11679	4.4
163.11214	5.9
167.07074	2.5
169.10060	2.7
171.11754	1.9
173.09636	2.4
173.13295	2.8
177.05327	1.8
177.12585	2.3
183.11647	2.2
187.11200	2.6
191.14310	2.0
201.12686	1.8
204.17749	1.8
215.18083	1.7
219.13808	1.9
247.20589	3.1
257.19055	7.8
267.15829	2.3
275.20065	49.9
292.19827	2.0
293.21097	8.6
334.72910	2.0
335.22101	2.7
349.23737	100.0
367.24832	31.0
419.24274	5.9
437.25317	8.6
485.15820	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05514	3.5
57.03439	3.2
57.07074	1.1
61.91785	0.6
62.06072	1.0
67.05502	5.9
69.07066	6.5
69.98322	2.4
71.04984	0.7
71.08639	3.8
71.41634	0.4
73.59899	0.5
79.05483	3.5
80.37920	0.5
81.07059	9.7
83.08620	3.6
85.06548	0.8
86.23134	0.5
88.96069	0.5
91.05489	4.0
93.07056	5.3
95.04987	0.7
95.08610	7.2
97.06533	1.5
98.06082	0.5
98.21457	0.6
98.98466	1.9
99.08083	2.4
105.07033	5.9
107.08593	6.5
109.06525	4.7
109.10166	2.9
111.08094	1.9
117.07053	0.9
119.08566	6.5
121.06509	0.9
121.10162	4.2
123.08067	12.7
123.11720	1.0
125.09595	0.7
131.08559	2.1
133.10150	6.4
135.08060	6.2
135.11662	1.7
137.09572	0.6
143.08469	0.6
145.10138	2.7
147.11682	4.2
149.09641	1.7
149.13231	2.3
151.83482	0.5
157.10083	0.8
159.11708	2.1
161.09671	1.0
161.13239	1.2
163.11174	0.5
163.14795	0.7
165.12811	1.5
167.14392	1.2
173.02184	0.5
173.13251	0.7
175.14799	6.3
177.12776	3.1
177.16388	1.0
179.14314	19.5
179.28311	0.5
187.14738	0.6
189.16425	0.6
191.14397	0.7
193.15851	1.1
205.15858	3.4
216.06363	1.9
219.17635	0.7
233.18991	0.5
257.18793	0.5
263.20035	1.4
271.20450	0.6
275.20169	1.1
280.25439	0.5
280.69565	0.5
281.07401	0.5
289.21634	5.4
289.24738	0.7
291.19510	0.6
293.21066	1.5
303.26883	1.6
309.89749	0.5
319.22754	1.1
331.26346	11.1
337.23981	0.7
341.07593	0.5
347.25732	1.2
349.23975	0.8
349.27466	5.8
357.27795	0.5
374.30737	1.5
375.29068	1.4
387.28873	4.7
405.29996	100.0
406.30161	1.1
485.26767	1.5
503.27820	4.9
546.31891	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05516	5.1
56.67889	0.5
57.03440	2.9
57.07065	1.6
62.06084	1.0
67.05509	7.5
69.03427	0.6
69.07072	6.6
71.04994	1.2
71.08639	3.4
74.66716	0.6
77.02616	0.5
79.05490	5.2
81.03404	1.2
81.07059	11.2
81.76727	0.5
83.04993	0.8
83.08616	3.4
84.61734	0.5
85.02897	0.6
85.06526	1.5
87.44392	0.5
91.05482	4.7
93.07051	7.2
95.04969	1.2
95.08607	8.2
96.08959	0.7
97.06528	2.4
97.10165	1.5
98.98465	2.3
99.08085	2.5
105.07033	6.8
107.08595	8.1
109.06521	6.2
109.10173	4.0
111.08108	1.3
117.07010	0.6
119.08591	7.8
121.10155	4.9
123.08076	12.2
123.11712	1.8
124.10172	0.5
125.09641	1.7
129.07051	0.7
131.08583	1.4
133.10150	6.9
135.08063	6.8
135.11699	1.7
137.09624	1.6
145.10126	2.5
147.11674	4.0
149.01237	0.6
149.09644	1.9
149.13245	2.0
151.11203	0.8
155.08510	0.7
157.10115	1.0
159.11725	2.5
161.09683	1.3
161.13223	1.3
163.11223	1.1
165.12718	1.1
167.14317	1.2
171.11502	0.7
172.12575	0.5
173.02034	1.0
173.13306	0.8
175.14835	6.3
177.12772	3.2
177.16444	1.1
179.14319	19.7
185.13249	0.6
191.14359	0.8
193.12277	0.7
193.15863	1.2
198.05269	0.8
203.14310	0.7
205.15865	3.2
216.06358	1.2
228.42575	0.6
231.15874	0.6
233.19026	0.6
263.20078	1.6
267.16150	0.7
269.17258	0.5
271.20547	0.7
275.20114	1.1
277.21628	0.6
281.20929	0.6
286.82550	0.6
289.21692	5.0
291.19556	0.6
293.21210	1.3
303.26913	1.3
319.22839	1.6
331.26312	11.8
337.23746	1.0
347.25800	1.0
349.27435	4.8
361.27316	1.4
369.27942	0.7
374.30643	2.1
375.29089	1.4
387.29028	5.3
393.27292	0.6
405.30008	100.0
406.30283	3.0
461.28378	0.7
485.26685	1.5
503.27618	5.0
528.30719	1.2
528.38037	1.3
537.57465	0.6
546.31897	2.2
546.38550	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05511	4.4
57.03442	4.2
57.07076	1.7
59.09739	0.6
62.06102	0.6
67.05511	8.2
69.03437	1.1
69.07065	6.6
69.55387	3.1
69.55820	2.0
71.04996	1.1
71.08637	3.5
79.05492	5.0
80.99768	0.7
81.03400	0.9
81.07063	11.9
83.04971	1.3
83.08620	2.9
85.06543	1.4
91.05486	3.8
93.07047	6.8
94.10281	0.6
95.04974	0.6
95.08604	8.5
97.02814	0.6
97.06531	2.0
97.10180	0.8
98.98479	2.0
99.08080	2.1
105.07046	7.1
107.08590	7.1
109.06524	6.2
109.10184	4.3
111.08112	1.1
113.88161	0.6
117.43872	0.6
119.08588	8.9
121.10137	5.3
123.08073	14.1
123.11712	1.8
125.09618	1.1
131.08588	3.0
133.10138	7.6
134.10391	0.6
135.08047	7.0
135.11720	2.8
137.09641	1.4
142.57927	0.6
143.08580	0.7
145.10152	2.5
147.11697	5.3
147.64417	0.6
149.09622	1.9
149.13298	2.1
157.10172	1.1
159.11717	2.1
161.09654	1.8
161.13281	1.5
163.11203	1.2
165.12712	1.3
165.66702	0.6
167.14330	0.9
173.13275	1.6
175.14790	5.7
177.12819	3.0
177.16417	1.0
179.14319	20.0
179.15825	1.3
187.14798	0.7
189.16246	0.8
191.14267	1.0
193.15866	1.6
198.05183	0.9
205.15961	3.7
205.17610	0.6
208.17064	0.7
216.06294	1.8
217.15958	0.7
231.15866	0.7
247.20549	1.0
263.20071	2.4
271.20474	0.9
275.20190	1.3
279.02206	0.6
289.21677	5.5
293.21118	2.1
303.26816	2.1
313.25314	0.8
319.22717	2.3
326.49500	0.6
331.26376	11.1
337.23779	1.2
347.25711	0.7
349.23651	1.8
349.27414	5.8
374.30722	1.1
375.28873	1.1
387.28909	4.2
405.30020	100.0
406.30466	2.1
503.27557	5.5
528.31110	1.0
546.32111	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01878	4.7
55.05260	1.4
55.05513	23.5
57.03437	6.8
57.07073	2.7
65.03948	2.2
65.67210	0.8
67.05505	46.8
69.03422	3.3
69.07069	13.4
69.85031	3.4
69.85437	1.8
71.04993	2.9
79.05492	30.2
81.03420	22.5
81.07058	47.6
83.04974	4.9
83.08624	15.2
85.06530	2.9
86.29462	0.9
91.05484	23.6
93.07047	29.6
95.04969	17.8
95.08611	33.0
97.06529	4.2
97.10171	16.9
99.08077	1.5
103.05498	1.0
105.07031	22.4
107.04935	5.3
107.08591	22.5
109.06539	5.5
109.10171	15.5
111.08070	4.1
113.09628	0.9
115.05480	1.8
117.07015	9.7
119.04957	1.6
119.08576	20.1
121.06498	6.3
121.10141	12.5
123.04449	1.8
123.08088	3.7
123.11720	6.9
125.09641	11.9
129.07008	9.7
131.08568	18.9
133.06511	2.3
133.10141	16.0
135.08049	5.4
135.11693	9.8
137.09653	2.4
137.13274	2.1
141.07028	2.4
142.07770	1.5
143.08551	7.8
144.09412	1.0
145.06546	1.5
145.10120	12.7
147.08086	2.2
147.11685	11.4
149.09593	4.0
149.13275	5.5
151.07492	1.0
151.11215	1.7
153.09183	0.9
155.08580	3.0
157.10136	7.8
159.08017	1.1
159.11684	10.6
161.09653	2.2
161.13246	6.6
163.11232	3.1
163.14806	2.4
165.12767	1.1
167.08607	1.1
169.10161	3.4
171.11649	5.1
173.09612	1.9
173.13231	7.4
175.11224	3.3
175.14845	3.5
177.12799	2.2
181.12262	1.0
183.11716	3.1
185.13283	4.2
187.11247	1.6
187.13383	1.0
187.14792	4.7
189.11217	9.4
189.12729	1.4
189.16348	1.0
193.12241	7.4
195.11757	1.1
197.13263	2.4
199.14851	3.9
201.16426	1.7
203.14471	1.0
203.18045	1.2
205.15944	1.3
211.14951	1.8
211.44261	0.9
213.12914	1.0
213.16441	2.4
225.16580	1.0
227.12773	12.2
233.15425	1.9
237.14708	1.0
243.15916	1.3
243.21204	2.8
245.13647	0.8
247.16957	3.3
249.14857	1.6
249.18446	1.1
259.20605	1.0
261.18515	1.0
261.19528	1.1
261.22107	8.5
267.15912	21.7
273.22275	1.1
275.10800	0.9
277.21600	1.2
279.20282	1.0
279.23315	2.2
281.21179	1.5
285.22208	2.8
287.20099	1.7
293.21307	1.1
293.99762	0.9
299.23648	1.5
301.21872	1.9
301.25220	14.3
303.23331	1.9
315.22955	1.1
317.24799	2.0
327.23120	1.2
335.25854	18.5
338.67245	0.9
355.26520	1.0
357.24146	1.0
357.28058	1.2
359.25995	3.0
407.24414	1.2
417.31552	2.0
421.25970	4.4
435.27206	2.5
435.32611	7.6
453.33630	12.5
461.29004	1.6
471.34747	10.4
475.30472	1.5
491.35092	1.2
509.36499	2.8
527.37341	61.1
528.37665	1.1
545.38373	100.0
546.38593	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01858	2.5
55.05262	2.0
55.05514	25.4
57.03439	6.9
57.04052	1.1
57.07072	2.4
59.04978	1.1
60.69451	0.9
65.03931	1.9
67.05507	47.7
69.03423	1.6
69.07070	13.5
70.13562	3.7
71.05003	2.4
79.05059	1.8
79.05497	27.8
80.07278	0.9
81.03419	20.0
81.07061	47.3
83.04970	3.8
83.08627	14.7
85.02892	1.1
85.06537	1.6
91.05484	20.4
93.07043	29.3
93.16917	0.9
95.04962	16.2
95.08612	36.6
97.06527	3.4
97.10167	15.8
105.07033	22.8
107.04964	4.9
107.08597	21.1
109.06541	4.9
109.10159	20.9
111.08096	5.0
115.05471	1.0
117.07037	12.3
119.08579	21.2
121.06535	4.7
121.10154	12.6
123.08084	4.8
123.11706	7.0
124.38705	1.0
125.09637	11.0
129.07005	7.1
131.08575	16.1
133.06526	1.9
133.10133	13.1
135.08054	4.7
135.11705	12.5
137.09677	2.4
137.13272	1.7
139.11148	1.2
142.07820	1.4
143.08540	6.7
144.05640	1.2
145.06442	1.2
145.10112	15.1
147.04506	1.9
147.08116	2.1
147.11699	10.3
149.09654	4.0
149.13263	4.7
151.11209	1.2
151.14906	1.1
155.08565	2.9
157.10150	6.5
159.08109	1.6
159.11691	12.3
161.09616	2.1
161.13280	7.3
163.11153	6.6
163.14867	2.8
167.08546	1.3
169.10123	2.6
171.11757	5.1
173.09589	1.5
173.13272	8.0
175.11214	2.6
175.14862	4.2
177.12802	2.0
181.10110	1.6
183.11746	3.3
185.09694	1.4
185.13271	2.9
187.13303	1.6
187.14842	3.7
189.11244	7.2
189.12761	1.5
189.16525	1.7
193.12271	7.3
195.11827	1.0
197.13300	2.9
199.14798	2.3
201.12680	1.4
201.16454	1.7
203.14256	1.5
203.17885	1.0
211.14964	1.5
213.16386	1.1
221.15393	1.1
227.12772	16.8
227.14874	1.2
233.15401	2.4
236.23674	1.0
243.15836	1.3
243.21129	2.4
261.22162	10.7
267.15915	19.9
271.20691	1.0
275.20135	1.5
279.19553	1.2
281.21329	1.4
285.22220	4.2
287.20111	1.6
297.22284	1.4
299.23697	2.0
301.21906	1.5
301.25244	12.6
315.23215	1.4
327.23328	1.4
329.21133	2.0
334.28897	1.0
335.25879	13.5
335.82446	1.0
357.28247	1.5
359.25870	1.8
361.23746	2.0
403.25021	2.7
417.26526	1.5
417.31369	1.7
421.25958	3.5
435.27170	2.6
435.32727	5.7
453.33649	11.2
471.34875	7.9
501.36380	1.4
509.36768	2.0
527.37366	50.8
528.37451	2.6
545.38434	100.0
546.38629	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01877	3.2
55.05516	21.9
57.03441	6.9
57.07078	1.8
65.03947	3.2
67.05508	47.7
68.05856	2.0
69.03442	3.0
69.07072	11.1
69.76678	6.7
71.05003	4.3
71.08623	1.6
79.05495	33.4
79.05959	1.7
80.05851	2.5
81.03419	18.8
81.07064	42.9
82.07407	1.4
83.04990	3.0
83.08628	15.7
85.02939	3.4
88.62520	1.0
91.05483	27.8
93.07050	35.9
93.07621	1.9
94.07402	2.1
95.04976	17.0
95.05542	1.2
95.08614	30.5
95.09236	1.5
96.08978	1.7
96.43915	1.0
97.02881	1.7
97.06557	5.6
97.10177	11.3
97.10686	1.1
98.21409	1.5
99.08096	1.8
103.05449	1.3
105.07043	21.4
106.07349	1.1
107.04982	5.2
107.08602	24.4
107.09289	2.0
108.08987	1.4
109.06529	4.6
109.10157	17.1
111.08105	3.6
117.07033	8.7
119.04944	5.6
119.08586	19.3
119.09361	1.7
120.08931	1.8
121.06515	7.0
121.10143	12.8
123.04453	9.2
123.08120	2.1
123.11742	7.1
125.09644	9.0
129.07025	6.9
131.08589	13.3
133.06490	2.7
133.10143	12.0
135.08064	5.3
135.11705	11.5
136.12053	2.4
137.09648	2.4
139.07639	1.5
141.07013	1.3
143.08549	6.0
145.10126	12.8
146.10477	1.7
147.04439	5.4
147.08083	2.6
147.11719	9.1
149.09666	3.1
149.13312	3.0
151.07611	2.1
153.09160	1.3
155.08559	1.5
157.10150	6.2
159.11723	7.4
161.09679	1.3
161.13261	5.1
161.48444	1.0
163.11188	7.9
163.14816	1.7
164.11589	4.1
165.05511	7.6
165.12897	1.5
167.07127	4.0
169.10138	2.7
171.10391	1.1
171.11812	3.3
173.13258	6.2
175.11264	4.0
175.14909	2.7
179.14334	2.6
181.12268	1.5
183.11763	2.1
185.11548	1.0
185.13283	2.9
187.11299	2.1
187.14883	2.4
189.11273	6.4
189.12767	1.7
192.78584	1.1
193.12234	8.7
193.98212	1.2
201.12993	1.5
209.13445	1.3
211.13380	4.0
227.12779	21.4
228.13182	7.1
229.13629	2.9
241.19666	1.3
243.15950	1.4
243.21130	2.1
261.22119	7.8
267.15936	14.6
279.23206	1.7
285.22266	2.5
287.20245	1.5
301.25323	8.1
303.23303	1.5
313.10873	1.8
317.24817	2.1
335.25815	10.4
421.26093	2.7
435.27567	1.8
435.32913	3.8
453.33746	6.1
471.34860	7.5
509.36578	1.5
527.37329	35.2
528.38165	1.7
545.38397	100.0
546.38910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62793	1.2
53.03943	3.9
55.01878	4.6
55.05264	1.9
55.05517	31.9
57.03440	10.7
57.07068	4.8
65.03957	2.8
67.05510	55.1
67.62189	1.7
69.03419	3.5
69.07076	20.6
70.72382	4.0
71.04987	2.3
71.07377	3.4
71.08610	2.5
73.06527	1.4
79.05057	2.5
79.05499	35.0
79.70704	1.4
80.25439	1.3
81.03425	23.5
81.07065	55.6
83.04980	5.7
83.08627	17.0
84.08950	2.5
85.06538	3.5
86.09708	18.9
87.10022	4.0
91.05489	28.4
93.07054	33.4
95.04975	19.9
95.08610	38.5
96.08936	2.3
97.06528	3.5
97.10172	19.1
105.07037	25.4
107.04984	4.4
107.08611	25.0
109.06533	5.1
109.10169	21.8
111.08096	5.6
117.07028	11.7
119.08590	19.5
121.06516	6.1
121.10158	17.9
123.08057	3.8
123.11713	9.2
125.09643	13.3
129.06995	7.9
131.08578	18.3
133.06505	3.2
133.10139	16.5
135.08066	5.9
135.11713	11.0
137.09608	4.1
137.13225	2.0
139.11212	2.2
142.07765	2.2
143.08566	6.4
145.06491	2.5
145.10133	14.0
146.98181	31.4
146.99269	2.9
147.08109	3.7
147.11708	9.4
147.98462	2.1
149.09634	4.0
149.13263	6.7
151.11148	1.9
155.08572	3.0
157.10124	8.4
159.11714	12.3
161.09590	2.7
161.13290	6.7
163.11171	3.5
163.14824	2.0
169.10123	4.0
171.11682	7.6
173.09731	1.9
173.13303	10.0
175.11234	3.5
175.14870	4.7
181.10289	1.6
183.11720	3.5
185.13266	4.1
187.14815	4.2
189.11267	9.2
189.16362	1.8
193.12296	6.4
197.13252	3.1
209.13278	1.7
209.15250	1.7
227.12769	14.6
243.15970	1.5
243.21112	2.4
247.16977	3.3
249.14961	1.7
257.22562	1.6
261.22235	8.4
267.15961	19.7
279.23096	3.2
284.30551	1.6
285.22174	3.9
299.23755	1.7
301.25259	16.1
303.23148	2.0
317.24863	2.9
331.16504	1.6
331.90918	1.6
335.25888	16.0
340.29233	5.9
362.27277	2.5
403.24908	1.9
417.31836	1.7
421.26007	3.6
425.34253	2.0
435.32697	5.6
453.33670	11.9
465.73697	1.5
471.34613	9.5
485.26587	4.4
486.26794	37.2
509.36679	3.6
527.37372	59.6
545.39240	100.0
546.38782	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32273	0.4
51.89130	0.4
53.32347	0.4
55.01873	0.6
55.05503	1.0
55.35235	0.4
57.01165	0.5
57.03438	0.8
61.02923	0.9
62.85286	0.5
67.05508	2.0
69.03429	1.6
69.07059	0.7
69.46647	4.0
70.06589	1.8
71.04998	1.0
71.43788	0.5
79.05506	1.9
81.03432	2.3
81.04528	0.5
81.07059	2.1
81.71178	0.5
83.05017	0.8
83.08585	0.5
85.02913	2.1
89.86587	0.6
91.05478	2.5
93.07053	1.8
95.08613	1.5
97.02900	1.8
97.10178	0.6
99.08089	0.5
105.07040	2.0
107.04998	1.1
107.08617	1.6
109.02913	1.1
109.06570	0.6
109.10152	1.0
111.04474	0.6
119.04933	0.5
119.08591	0.9
121.06527	0.5
121.10167	0.9
123.08076	0.6
125.09598	0.6
127.03925	1.3
129.07069	0.9
131.08586	0.7
133.06537	0.6
133.10172	1.5
135.11725	0.6
137.06012	1.9
137.09659	0.6
145.02840	1.1
145.10092	0.9
147.04416	0.9
151.03915	0.5
159.08060	0.5
163.11203	0.5
167.07153	0.6
167.08646	0.5
177.05534	2.2
181.06500	0.7
193.12376	0.6
203.05299	1.0
207.06497	0.7
245.09604	0.6
273.09171	0.7
275.24786	0.6
289.04910	0.6
290.09305	0.5
291.19360	0.7
305.08228	0.8
307.09439	0.6
311.12817	1.3
313.14639	0.6
318.09088	1.7
333.11154	3.3
337.10773	1.2
337.14456	1.1
350.11475	0.6
365.13696	2.6
365.26889	3.1
377.10550	0.9
383.14917	8.5
421.13339	1.4
498.10583	0.5
515.31714	1.0
527.19006	0.8
545.25751	8.5
545.33002	100.0
546.33142	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.40905	0.7
54.55286	0.7
55.01871	2.6
55.05511	18.6
57.03434	6.2
57.07073	1.9
62.68841	0.8
65.03933	2.8
67.05507	43.4
69.03429	3.2
69.07068	12.9
71.04984	5.1
71.08636	1.0
71.58672	0.8
79.05496	44.3
81.03421	25.7
81.03912	0.9
81.07058	46.5
83.04990	5.4
83.08621	15.6
85.02909	13.7
85.06543	2.1
91.05485	33.0
93.07047	41.6
95.04975	16.5
95.08609	29.7
97.02910	1.8
97.06519	4.7
97.10169	6.0
99.04481	0.8
99.08090	1.8
105.04552	1.2
105.07031	23.6
107.04961	4.3
107.08593	19.7
109.06514	5.4
109.10162	10.7
111.04416	1.3
111.08078	5.0
113.06048	1.0
115.05504	1.6
117.07027	8.7
117.83170	0.9
119.04929	2.1
119.08585	19.2
121.06532	2.4
121.10136	16.3
123.08102	2.6
123.11720	3.4
125.09640	3.4
128.06277	0.8
129.07004	7.3
131.08569	13.4
133.06483	1.2
133.10133	14.1
135.08063	1.7
135.11710	13.0
137.09631	1.9
137.13330	1.2
139.11241	1.2
141.07072	0.9
142.07820	1.5
143.08577	4.2
145.10138	9.8
147.04419	8.0
147.08080	1.8
147.11697	12.8
149.09644	2.4
149.13235	3.8
151.11189	1.5
155.08601	2.2
157.10138	7.3
159.11711	5.0
161.13283	4.3
161.64656	0.8
163.11172	8.6
163.14835	1.6
165.12849	1.5
169.10172	1.5
171.11734	1.7
173.13271	3.2
175.11197	6.3
175.14813	1.0
179.14290	1.1
181.12218	1.8
183.11748	1.4
185.13332	2.1
187.14873	1.5
189.11310	2.0
193.12239	21.3
195.11865	0.7
197.13177	1.3
199.14856	1.1
201.16386	1.6
211.13290	27.9
223.14879	0.7
227.12779	15.3
227.17896	0.8
243.21227	0.8
261.22083	4.8
267.15881	5.9
267.20969	0.9
277.21689	1.5
285.17029	0.9
301.22021	1.0
301.25330	2.9
303.23141	1.0
317.24786	0.9
335.25766	4.2
346.94901	0.8
359.26050	1.1
417.31839	1.6
435.32626	3.3
453.33771	3.0
471.35089	3.5
509.36548	1.1
527.37402	20.6
545.38409	100.0
546.38928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
55.01875	2.0
55.05511	5.9
56.96568	1.7
57.03445	4.2
59.05000	0.6
61.02927	8.9
67.05508	9.9
69.03428	6.0
69.07076	5.0
70.06597	1.5
70.55869	1.9
71.01362	0.9
71.04987	2.2
73.02926	4.7
79.05498	11.1
81.03415	6.7
81.07063	14.9
83.05003	3.2
83.08620	4.0
85.02912	8.7
85.06564	0.9
91.03963	3.7
91.05479	7.3
93.07040	8.3
95.04964	4.1
95.08617	6.0
97.02898	7.7
97.06543	4.3
97.10152	5.4
98.21409	0.8
98.97598	1.3
99.04468	1.9
99.08081	4.5
101.02389	1.3
105.07032	4.7
107.04945	2.8
107.08590	7.5
109.02895	1.9
109.06511	3.1
109.10184	3.3
111.04470	2.8
111.08096	2.7
114.10320	1.0
115.03906	0.8
115.07594	1.5
116.98599	1.1
117.07025	3.1
119.04949	1.2
119.08576	5.7
121.06528	2.8
121.10118	3.5
122.02705	0.6
123.04433	1.3
123.08066	6.1
125.09626	7.4
127.03928	3.0
127.07581	1.9
129.06990	1.5
131.04871	0.7
131.08553	4.2
133.06544	1.4
133.10136	3.8
134.99669	1.1
135.08102	1.8
135.11707	2.9
137.05994	1.4
137.09601	2.1
143.08612	2.6
145.02853	0.9
145.04915	1.0
145.10129	3.4
147.04405	1.3
147.08081	2.7
147.11734	2.4
148.56290	0.7
149.09653	2.7
149.13205	0.7
151.11226	1.0
153.09151	1.1
153.12773	1.2
157.10193	2.2
159.11707	1.8
161.09651	2.5
161.13281	0.7
163.03909	1.0
163.11148	4.2
165.09218	0.8
165.12747	0.6
167.07040	0.9
171.11702	1.0
173.09657	1.8
173.13304	0.8
175.11240	1.1
177.05504	1.1
181.12238	1.8
185.13248	1.2
187.11217	1.0
189.11256	7.5
189.12839	0.8
191.10681	2.0
193.12320	1.1
199.14941	0.8
203.05298	0.9
207.06543	1.9
211.13333	0.9
219.13988	0.8
221.15482	0.8
223.13387	1.8
227.12717	3.2
227.17979	0.8
229.12268	1.5
232.67116	0.7
248.27780	0.7
255.17458	1.3
263.20016	1.3
273.18521	7.4
282.15982	1.8
287.09149	0.8
291.19553	16.8
309.20703	1.9
347.22284	2.4
365.22891	6.7
365.26730	1.7
383.24203	13.1
389.18549	0.9
389.23251	1.1
491.02365	0.7
491.26361	0.8
545.25439	6.2
545.33020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	35.0
55.05515	27.4
57.03437	53.7
57.07099	4.6
61.02935	19.1
67.05231	4.0
67.05513	51.2
69.03436	26.1
69.06721	7.5
69.07073	100.0
71.04966	4.6
71.59998	5.1
73.02909	17.7
79.05506	27.3
79.87460	3.4
81.03417	18.9
81.07069	43.8
83.04987	37.4
83.08603	12.3
85.02924	26.4
87.04467	5.8
91.03951	11.4
91.05495	25.6
93.07056	30.9
95.04966	12.0
95.08611	32.7
97.02927	21.3
97.06536	24.1
97.10155	4.9
101.06027	11.3
105.07053	25.2
107.04977	10.1
107.08598	18.3
109.02888	8.3
109.10152	18.2
111.04416	4.4
111.08079	4.7
116.04700	20.9
117.07005	9.4
119.04942	4.0
119.08614	21.2
121.06560	6.4
121.10159	9.3
123.08060	4.6
125.09622	7.1
127.03923	10.9
129.05489	82.5
129.06946	4.4
131.08604	9.3
133.10139	22.2
135.11722	9.7
137.09598	7.8
143.07045	49.6
143.08154	6.1
145.10127	8.6
147.04393	4.0
149.09605	14.6
149.13240	6.6
151.11194	4.7
154.85037	3.7
157.08638	88.8
157.09962	6.5
159.11542	3.9
163.11198	4.9
171.10193	21.6
171.11472	4.0
173.11765	6.4
177.05455	6.8
179.14331	5.7
185.11812	5.6
200.14073	29.8
207.06569	6.5
223.13388	6.5
229.14330	12.6
253.17979	5.5
257.18900	4.8
275.20023	25.3
291.19519	15.6
302.24084	4.1
349.23813	23.6
365.23120	7.8
383.24219	6.4
383.68991	4.3
462.62311	4.6
545.29126	6.6
545.40063	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	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	12.1
54.23525	4.7
55.01870	9.4
55.05511	33.2
57.03426	16.4
57.07059	5.2
61.02922	11.4
67.05512	42.8
69.03440	14.0
69.07056	34.3
69.82200	30.4
71.05009	9.1
73.02928	5.0
79.05499	32.9
81.03413	51.4
81.07055	50.2
83.04979	18.0
83.08640	26.1
85.02905	27.5
91.05488	35.2
93.07027	27.7
95.04950	30.9
95.08613	19.1
97.02882	19.9
97.10159	23.1
97.36714	4.9
105.07025	31.2
107.04958	18.4
107.08582	14.2
109.02908	11.5
109.06546	7.0
109.10175	12.6
111.04465	5.3
111.08110	11.5
117.07039	12.1
119.08585	22.7
121.06499	9.2
121.10159	16.5
123.08090	13.1
125.09634	17.5
127.03950	9.6
129.06995	12.2
131.08585	15.6
133.06512	7.4
133.10133	16.9
135.08110	5.6
143.08571	7.8
145.10127	10.5
147.08038	9.3
147.11700	14.7
149.09645	10.2
157.10153	12.5
159.11703	6.0
161.09665	5.7
163.11134	5.5
173.90523	5.0
175.11201	10.2
187.04727	4.9
189.11269	12.1
193.12241	39.6
211.13284	30.6
223.13358	23.0
227.12845	12.2
245.14066	5.5
267.15906	11.7
273.18475	25.6
285.16968	57.8
291.19568	82.1
347.22382	8.1
365.23248	100.0
383.24323	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	545.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01862	9.0
55.05521	16.1
57.03441	7.1
67.05502	23.9
69.03409	6.0
69.07055	9.9
70.06590	6.3
70.14520	3.0
71.05001	3.9
71.60169	5.4
73.02904	3.1
79.05501	34.5
81.03421	9.0
81.07060	92.4
83.04978	12.1
83.08609	12.1
85.02909	11.8
91.03947	3.2
91.05489	21.2
93.07036	21.2
95.04950	10.6
95.08591	12.3
97.02882	5.7
97.06489	3.9
97.10170	11.4
105.03392	3.6
105.07026	12.7
107.04925	7.5
107.08612	15.3
109.06528	39.6
109.10152	12.5
111.04461	15.0
111.08063	5.6
117.07033	11.1
119.04974	3.5
119.08566	16.8
121.06478	5.9
121.10138	11.9
123.08084	6.9
125.09625	6.4
127.03894	5.4
129.06990	5.9
131.08582	10.0
133.10146	7.8
135.08051	4.7
135.11668	6.0
137.09587	3.8
143.08565	3.4
145.10133	12.8
147.04375	5.3
147.08051	12.3
149.09593	9.9
153.12753	7.2
157.10143	6.1
159.11702	6.6
161.09576	8.3
163.11168	13.1
177.05504	4.9
177.09103	3.2
189.11162	5.7
191.10660	5.1
197.01199	7.5
207.06575	4.7
215.02315	6.1
227.12831	5.1
241.00230	4.2
249.14954	5.5
255.17535	4.2
259.01285	4.4
273.18536	26.5
291.19540	100.0
309.00552	4.3
322.11349	3.4
347.22101	9.3
365.23138	45.9
407.03204	3.6
408.32135	3.4
433.04645	7.1
435.23813	5.9
459.05807	10.0
477.06848	4.9
482.06839	3.6
527.27917	3.6
545.16534	13.7
545.32922	10.1
555.07739	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	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01875	7.9
55.05509	15.0
57.03435	5.0
61.02916	2.9
65.03547	1.1
65.03924	2.3
67.05503	19.8
69.03429	4.1
69.07050	6.7
69.80762	2.7
69.81177	5.5
71.04992	2.4
73.02922	1.7
75.01624	1.2
79.05492	31.3
81.03425	4.6
81.07056	80.0
83.04982	10.6
83.08611	8.4
85.02903	9.8
85.06527	1.7
91.05479	13.5
93.07041	17.6
95.04971	11.0
95.08601	11.1
97.02892	1.5
97.06528	3.3
97.10193	6.1
97.92422	1.2
98.21426	1.9
99.04476	2.3
99.08085	1.5
101.02431	1.6
105.07031	12.5
107.04948	5.4
107.08592	9.2
109.06515	38.2
109.10157	8.3
111.04436	20.8
111.08082	4.7
111.79282	1.2
117.07015	11.7
119.04927	1.8
119.08594	21.2
121.03000	1.3
121.06518	6.8
121.10159	9.1
123.08057	5.6
125.06004	1.6
125.09650	5.8
127.03883	1.9
129.05481	1.4
129.06990	5.0
130.07817	1.4
131.08565	10.3
133.06506	4.0
133.10112	3.1
135.08025	3.5
135.11688	7.2
137.05959	1.9
137.09601	3.8
137.60071	1.3
138.64435	1.3
143.08559	3.1
145.06558	1.4
145.10110	12.6
147.08029	11.6
147.11732	2.7
149.09595	7.0
153.12756	6.8
155.08580	1.7
157.10138	2.8
159.08072	2.5
159.11693	2.8
161.09589	7.3
161.13263	1.6
163.11140	11.0
165.09085	5.5
171.11673	3.2
173.09648	3.2
177.05533	1.6
181.12267	6.0
183.10120	2.6
189.11304	2.3
191.10730	4.3
209.11755	1.8
216.94714	1.2
223.13361	4.0
227.12718	7.5
227.17909	1.4
229.14346	2.3
245.19258	1.4
249.12440	1.5
249.14923	3.6
255.17433	3.3
273.18481	22.6
276.36603	1.5
283.15317	2.8
291.19537	100.0
292.12338	1.7
300.79184	1.3
306.49506	1.4
347.22144	12.7
365.23203	94.8
367.84253	1.3
545.31232	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	545.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71918	0.3
66.04113	0.3
69.03444	0.4
70.06589	1.5
71.06511	0.5
71.06863	0.8
72.08157	0.5
74.33649	0.3
81.03408	0.4
81.07064	0.5
83.04942	0.4
85.02914	1.1
86.09701	0.4
91.05515	0.5
93.07088	0.5
95.05013	0.5
95.08623	0.6
97.02865	0.5
98.97613	0.4
105.07024	0.7
107.08547	0.4
109.02865	0.5
116.98596	0.4
119.08557	0.5
133.10120	1.0
149.06017	0.8
151.03911	1.2
151.07570	0.4
161.09610	0.3
167.07062	0.4
175.14827	0.7
177.05544	0.7
207.06604	0.7
207.38527	0.4
252.98473	0.4
275.07489	0.8
335.09467	3.6
395.19736	1.0
409.31058	0.4
527.24695	15.0
545.19623	21.3
545.25641	100.0
546.19965	1.5
546.27509	1.6
571.33667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2001
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
50.68056	0.3
55.01873	0.3
60.54092	0.2
67.05530	0.3
69.03382	0.3
69.07085	0.3
70.06586	0.5
70.23023	0.5
70.23431	1.0
79.05489	0.3
79.81496	0.2
81.03403	0.5
81.07058	0.4
85.02892	0.5
86.09715	0.3
88.11132	0.2
91.03992	0.3
91.05487	0.3
93.07024	0.3
95.85888	0.3
97.02879	0.4
97.29137	0.2
105.07047	0.8
109.02895	0.4
109.10145	0.5
110.07194	0.3
121.10155	0.3
133.10135	0.3
135.42261	0.2
137.06003	0.5
141.17822	0.2
145.02832	0.3
147.04381	0.6
161.05968	0.3
161.09572	0.3
165.35944	0.3
166.46436	0.3
167.07109	0.4
168.95108	0.3
175.07579	0.3
180.73869	0.3
203.05257	0.3
211.13191	0.5
357.18906	0.3
365.26810	0.7
395.14767	0.9
413.15778	0.4
453.89288	0.3
545.19965	100.0
545.31854	6.4
546.20172	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03446	0.7
60.05654	8.4
61.02929	0.6
68.01083	0.7
69.03430	3.2
70.06594	49.5
71.04998	2.2
71.57695	0.9
72.08160	3.8
73.02930	1.4
81.03419	1.4
84.04523	0.8
85.02913	5.1
87.04462	0.9
87.07967	0.6
88.07640	0.7
95.06126	0.8
97.02905	2.8
97.07663	1.8
99.04508	0.7
112.08739	13.8
112.09474	0.9
113.07166	2.7
114.10294	3.2
115.08701	7.7
115.09440	0.8
116.07091	17.9
127.03938	1.0
130.05054	0.8
130.09781	4.7
133.09685	0.6
134.39502	0.6
137.05981	1.0
139.03929	0.9
139.07549	5.6
141.06645	0.9
145.05038	0.8
151.03967	0.7
157.10966	1.0
158.09253	27.0
163.04037	0.6
165.05473	0.6
166.06291	0.9
167.07048	22.6
175.11922	20.2
175.13403	1.1
177.05580	1.1
181.04955	0.7
181.08606	1.6
191.07079	0.8
193.04991	1.6
194.08012	0.6
208.07455	0.9
208.09743	0.9
209.08066	4.8
209.15364	0.8
237.02840	0.7
261.12042	0.7
279.54013	0.6
305.15305	0.9
324.14505	1.1
348.15765	0.7
349.14041	0.8
365.18326	1.9
366.16718	2.1
367.16296	2.4
382.18723	1.3
383.19278	17.0
383.98938	0.8
423.25845	0.6
545.24658	100.0
546.25177	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.3
57.06826	2.8
57.07079	44.8
59.04982	3.1
67.05511	2.8
69.07062	5.2
71.08633	37.7
73.06557	6.8
79.05509	3.9
81.03450	2.4
81.07071	4.3
83.08617	4.1
85.10190	36.8
87.04472	4.7
89.06036	100.0
93.07034	2.7
95.08634	2.9
97.10170	2.4
99.11746	5.2
105.07060	3.5
107.07076	4.2
107.08591	2.3
117.09182	4.3
119.08518	3.2
123.94261	2.1
130.08652	6.5
131.07057	2.2
131.08578	2.2
133.07640	3.9
133.08611	57.6
133.10152	3.6
141.16402	3.1
147.04436	3.2
150.85843	1.6
152.50569	1.7
155.17957	3.6
161.11713	1.8
163.03883	2.2
164.21365	1.7
177.11263	24.3
177.12697	3.1
199.20535	4.0
221.13800	3.5
239.15021	3.1
243.23204	11.1
252.74579	2.0
283.17590	3.5
287.25757	3.3
293.21460	2.0
313.72263	1.8
327.20236	8.7
371.22894	9.6
464.56558	2.0
525.40497	18.0
542.42358	2.8
543.36499	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	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.4
53.03941	4.3
55.01868	4.1
55.05511	18.2
57.03427	2.5
57.07064	2.9
62.85807	1.1
64.11376	1.1
64.50857	1.2
65.03947	2.3
67.05506	34.4
69.03416	2.4
69.07065	11.0
69.70581	8.2
71.04996	3.4
71.08631	2.0
79.05495	38.9
81.03416	4.1
81.07059	37.8
81.07523	2.4
83.04972	4.1
83.08630	10.3
85.06555	1.9
91.05485	21.3
93.07049	48.6
95.04964	10.1
95.08607	42.8
97.02871	2.3
97.06541	5.3
97.10182	2.8
99.04466	2.9
105.04521	1.2
105.07028	18.3
107.04954	6.0
107.08599	30.6
109.06525	3.3
109.10158	8.6
111.08117	2.3
117.07021	12.5
119.08579	16.8
121.06520	5.2
121.10139	19.5
123.08058	1.4
123.11716	1.2
125.06004	2.0
125.09669	1.9
129.07018	1.9
131.08574	8.7
133.10135	11.7
135.08105	2.0
135.11699	36.8
139.07523	1.9
143.08611	2.8
145.10114	22.5
147.04430	3.8
147.11662	3.4
149.09691	1.7
149.13312	4.5
153.12788	1.9
157.10167	2.0
159.11729	5.2
161.13239	2.0
163.03955	1.3
163.11192	40.8
167.07040	2.0
169.10158	2.2
171.11754	2.4
173.13239	3.2
181.12225	8.6
197.13412	1.6
209.11670	1.3
227.12787	80.6
243.21098	2.7
261.22202	3.9
275.20117	8.8
283.15216	1.4
317.24887	1.5
409.36349	1.1
451.31955	1.9
469.33420	2.1
525.35785	5.5
543.36902	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03949	4.4
55.01875	3.5
55.05511	18.0
57.03409	2.9
57.07040	2.1
59.73477	0.6
65.03914	2.4
67.05506	37.6
67.17466	0.5
69.03399	2.6
69.07069	14.5
69.33226	3.0
69.33653	3.5
71.04997	4.0
73.02892	1.1
74.99851	0.7
77.03899	0.9
79.05495	46.9
81.03399	2.5
81.07059	43.2
83.04996	5.3
83.08618	12.3
85.06497	1.3
91.05480	26.4
92.91230	0.7
93.07047	64.9
95.04970	12.1
95.08607	54.5
97.02867	3.0
97.06551	4.0
97.10157	2.0
99.04472	4.6
99.08059	0.9
103.05424	1.9
105.04462	0.9
105.07037	18.8
105.79742	0.8
107.04958	8.3
107.08597	43.0
109.06523	4.2
109.09592	0.7
109.10148	8.9
111.04388	1.0
111.08083	1.5
115.05418	1.3
117.07021	14.8
119.04941	0.6
119.07788	1.1
119.08582	17.4
121.06506	5.3
121.09321	1.2
121.10149	21.7
123.08075	1.3
123.11694	2.0
125.05971	3.0
125.09631	1.0
128.06123	0.8
129.06981	2.3
130.07788	1.8
130.32283	0.7
131.08569	7.6
133.10144	9.1
135.08028	2.7
135.11694	53.7
137.13249	0.9
139.07530	1.3
139.11198	0.9
143.08533	2.2
145.06555	0.8
145.10129	30.9
147.04408	1.7
147.11685	4.4
149.13248	4.1
155.08582	0.8
157.10141	1.1
159.11687	2.7
161.13243	2.3
163.03920	1.7
163.11182	53.1
163.14781	1.3
169.10097	0.9
171.11668	1.5
173.09605	1.2
173.13268	3.2
175.14825	1.2
181.12233	12.3
185.13298	1.0
186.73099	0.9
187.14828	1.0
197.13240	0.7
201.16275	1.2
209.11754	1.7
226.03111	0.6
227.12788	100.0
243.21078	2.7
244.15428	0.9
261.22110	6.9
275.20084	1.5
277.21301	0.7
283.15424	1.5
299.23962	0.9
317.24808	2.3
469.33240	0.9
525.35791	2.1
543.36890	86.1
543.49670	2.6
544.37689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08921	0.9
55.05501	1.3
56.96560	1.6
61.02911	1.0
67.05509	2.6
67.98260	0.8
69.03413	2.9
69.07066	2.1
70.06585	2.6
70.94734	2.6
71.05000	1.6
79.05478	2.9
79.39474	0.9
80.69090	1.0
81.03416	1.9
81.07067	6.9
83.08601	1.2
85.02892	7.8
85.06572	1.7
87.04504	0.9
91.05476	3.4
93.07027	3.5
94.04170	1.1
95.04974	1.8
95.08592	4.5
96.43605	0.9
97.02908	2.0
97.10187	1.0
103.05486	7.3
105.07034	6.1
107.04958	2.0
107.08579	2.6
109.02905	2.1
109.06511	2.2
109.10158	2.8
110.10531	1.0
111.04468	0.8
116.98611	1.2
117.07030	2.2
119.04893	1.1
119.08576	1.7
121.06481	4.1
121.10109	2.5
122.03638	5.4
123.04402	2.1
123.11726	1.6
125.09659	0.8
127.03910	1.5
129.07004	1.3
131.04948	9.2
133.06497	16.6
133.10211	1.1
135.08044	5.1
135.11702	1.5
137.05980	100.0
139.11128	1.1
143.08563	1.3
145.04886	0.9
145.06448	2.6
147.08029	1.8
149.05988	1.8
149.13190	0.9
151.03961	1.0
151.07564	6.2
156.03654	1.9
157.06448	1.6
159.08080	1.3
161.05984	2.0
163.03909	1.2
163.07541	28.6
165.12801	1.6
167.07048	31.4
171.08034	2.0
174.06812	1.3
175.07449	2.2
177.05536	2.0
177.09100	13.6
181.08542	1.3
183.13817	2.0
189.09090	5.6
190.09494	1.8
190.16734	1.1
193.08617	2.4
201.14854	1.2
203.10632	3.5
209.08029	1.1
209.15393	1.3
211.09659	3.4
219.10162	9.2
220.10497	6.0
221.11612	4.6
224.08047	2.4
237.02823	1.4
263.10638	1.5
268.34076	0.9
278.25656	1.0
290.25546	1.1
295.13275	13.5
305.10510	1.0
308.26685	2.1
327.15921	27.8
345.13113	1.0
345.16888	2.8
354.58643	0.9
497.91800	0.9
543.15576	1.0
543.24176	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	542.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.1
55.01886	0.1
56.96563	0.1
57.03437	0.1
57.09016	0.1
66.04737	0.2
69.03432	0.3
70.06606	0.2
71.33274	0.2
73.02872	0.1
79.05494	0.3
81.03422	0.2
81.07067	0.3
82.07386	0.1
84.08136	0.1
85.02908	0.7
91.05499	0.5
93.07043	0.2
94.04193	0.8
95.08632	0.3
97.02882	0.4
103.05436	0.2
105.07047	0.2
107.04949	0.3
109.02912	0.2
109.10176	0.1
119.04959	0.4
121.06535	0.1
122.03642	2.2
123.11699	0.1
127.03928	0.3
131.04944	0.6
135.11748	0.2
137.05981	100.0
138.06291	0.7
149.06055	0.1
151.07539	0.5
163.07545	2.5
167.07010	0.3
177.05508	0.3
179.06981	0.1
181.08600	19.2
182.08955	0.2
183.10257	0.1
207.06512	0.2
209.08080	0.1
219.01750	0.1
223.09619	0.2
323.59644	0.1
428.68280	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	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08921	0.9
55.05501	1.3
56.96560	1.6
61.02911	1.0
67.05509	2.6
67.98260	0.8
69.03413	2.9
69.07066	2.1
70.06585	2.6
70.94734	2.6
71.05000	1.6
79.05478	2.9
79.39474	0.9
80.69090	1.0
81.03416	1.9
81.07067	6.9
83.08601	1.2
85.02892	7.8
85.06572	1.7
87.04504	0.9
91.05476	3.4
93.07027	3.5
94.04170	1.1
95.04974	1.8
95.08592	4.5
96.43605	0.9
97.02908	2.0
97.10187	1.0
103.05486	7.3
105.07034	6.1
107.04958	2.0
107.08579	2.6
109.02905	2.1
109.06511	2.2
109.10158	2.8
110.10531	1.0
111.04468	0.8
116.98611	1.2
117.07030	2.2
119.04893	1.1
119.08576	1.7
121.06481	4.1
121.10109	2.5
122.03638	5.4
123.04402	2.1
123.11726	1.6
125.09659	0.8
127.03910	1.5
129.07004	1.3
131.04948	9.2
133.06497	16.6
133.10211	1.1
135.08044	5.1
135.11702	1.5
137.05980	100.0
139.11128	1.1
143.08563	1.3
145.04886	0.9
145.06448	2.6
147.08029	1.8
149.05988	1.8
149.13190	0.9
151.03961	1.0
151.07564	6.2
156.03654	1.9
157.06448	1.6
159.08080	1.3
161.05984	2.0
163.03909	1.2
163.07541	28.6
165.12801	1.6
167.07048	31.4
171.08034	2.0
174.06812	1.3
175.07449	2.2
177.05536	2.0
177.09100	13.6
181.08542	1.3
183.13817	2.0
189.09090	5.6
190.09494	1.8
190.16734	1.1
193.08617	2.4
201.14854	1.2
203.10632	3.5
209.08029	1.1
209.15393	1.3
211.09659	3.4
219.10162	9.2
220.10497	6.0
221.11612	4.6
224.08047	2.4
237.02823	1.4
263.10638	1.5
268.34076	0.9
278.25656	1.0
290.25546	1.1
295.13275	13.5
305.10510	1.0
308.26685	2.1
327.15921	27.8
345.13113	1.0
345.16888	2.8
354.58643	0.9
497.91800	0.9
543.15576	1.0
543.24176	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	542.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.01879	1.6
57.03447	0.7
65.03954	0.9
66.04704	0.3
67.05514	0.9
69.03447	0.7
70.06595	0.4
70.88582	1.0
71.04994	0.4
75.04491	1.2
77.03943	0.3
79.05496	4.8
80.04949	0.3
81.03423	0.7
81.07062	0.9
82.07304	0.3
85.02919	1.4
89.03923	0.5
90.81093	0.3
91.05482	6.0
93.03391	1.9
93.07060	2.4
94.04183	0.3
95.04978	2.0
97.02909	0.6
97.06539	0.9
103.05471	5.1
104.06256	0.5
105.03426	0.6
105.07039	18.8
106.04172	3.1
107.04960	3.9
107.08625	0.6
108.05730	0.8
109.02899	0.6
109.06552	1.6
111.04432	0.5
115.05462	1.2
117.06992	0.5
118.04168	6.0
119.04979	2.7
120.05735	0.9
121.02805	0.4
121.06509	5.8
122.07278	1.0
123.04436	0.9
123.08089	1.5
124.05238	1.6
124.07555	0.5
125.05988	1.6
127.03887	0.4
130.04146	0.3
130.06511	0.3
131.04922	1.8
131.47025	0.3
132.05725	1.2
133.06497	18.9
134.03673	0.8
134.07227	0.7
135.04422	3.1
135.08073	3.7
137.05998	6.6
137.09627	0.4
138.06700	0.4
139.03952	0.4
139.07506	0.7
145.02892	0.3
146.03679	0.7
147.04434	1.6
147.07971	0.4
148.05222	2.0
149.05989	11.4
150.06781	12.0
151.07547	4.6
152.08257	0.4
153.05498	0.9
153.09100	1.9
161.05991	3.4
162.01350	0.7
162.03113	0.3
163.03903	1.7
163.07559	1.2
165.05516	0.6
165.09131	13.7
167.05626	0.7
167.07047	11.6
175.07565	0.4
177.05479	6.8
178.06262	2.0
179.01608	0.4
179.07043	2.4
180.07803	0.4
181.08626	4.7
190.00859	0.6
191.07028	1.1
192.07809	0.7
193.08620	55.2
194.08983	0.8
195.06525	1.3
197.11742	0.6
197.37439	0.3
202.10738	0.5
209.08105	34.5
210.08618	0.4
211.09665	100.0
212.10054	1.0
220.10350	0.5
223.04256	7.7
248.85110	0.3
261.01990	0.3
303.05017	0.5
312.09042	0.9
346.15164	0.5
371.14996	0.4
377.02219	0.3
380.09436	1.0
391.17474	0.3
403.17407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52932	0.4
53.03955	1.1
55.01881	1.7
57.03442	1.0
61.02923	0.5
64.09789	0.5
65.03949	1.0
65.59736	0.5
67.05521	0.8
69.47909	1.3
69.48328	3.0
70.06598	0.9
71.04990	0.8
75.02721	0.4
75.04476	1.6
75.77338	0.5
79.05486	5.3
81.03433	1.1
81.07046	0.4
85.02912	1.5
89.03963	0.4
89.04894	0.4
90.89384	0.4
91.05478	6.4
91.06002	0.6
93.03392	2.3
93.07053	1.7
94.04195	0.6
95.04977	2.1
97.02929	0.5
97.06551	1.2
97.91116	0.5
103.05460	5.9
104.06267	0.7
105.03436	0.5
105.07032	21.4
106.04151	3.3
107.04961	4.6
107.08611	0.6
108.05759	1.0
109.06530	1.8
115.05453	1.3
117.07056	0.5
118.04170	7.7
119.04958	3.6
120.05687	0.8
121.06517	6.7
122.07320	1.2
123.04404	0.6
123.08070	2.0
123.25927	0.5
124.05218	1.7
125.05977	1.9
127.03915	0.6
131.04950	2.1
132.05753	1.3
133.06497	20.6
134.07277	1.1
135.04410	2.4
135.08054	4.1
137.05988	6.5
138.06712	0.7
146.03690	1.2
147.04428	1.7
148.05190	2.0
149.05994	10.9
150.06764	12.3
151.03886	0.6
151.07547	5.9
153.05458	0.7
153.09117	3.0
161.05998	3.7
162.01338	0.7
163.03877	1.6
163.07526	1.4
165.09106	15.8
167.07060	12.6
177.05495	8.1
178.06264	2.1
179.06981	2.7
181.08618	4.8
190.01016	0.7
191.07082	1.8
192.07893	0.7
193.08611	68.8
194.08942	0.5
195.06491	1.1
202.10652	0.6
208.01811	0.6
209.08095	33.8
210.11150	0.5
211.09657	100.0
212.10010	0.5
215.97491	0.5
219.10089	0.5
223.04248	8.3
312.08942	1.7
346.14908	0.8
380.09644	0.6
403.17380	1.2
427.41452	0.5
498.97348	0.5
542.22296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.3
53.55797	2.2
55.01871	2.5
55.05504	10.8
57.03413	2.5
57.07066	6.1
57.70350	2.5
60.18220	2.6
67.05238	2.0
67.05513	25.0
69.03418	7.7
69.07070	33.8
70.06596	4.8
70.08672	11.4
71.04986	6.1
79.05486	10.6
81.03403	2.9
81.07063	100.0
83.08616	7.3
85.02895	9.2
85.06543	11.5
85.07687	2.9
86.09718	2.4
91.05486	4.4
93.07047	30.8
95.04953	4.3
95.08050	4.1
95.08612	63.2
97.06523	9.1
97.10162	7.4
99.04485	2.8
99.08088	3.6
105.07042	12.1
107.08601	32.6
109.06508	3.5
109.10166	45.7
111.08096	14.0
111.11681	5.8
119.08572	8.2
121.10160	22.5
123.11706	65.9
125.09647	4.8
127.03923	3.1
127.07464	3.1
127.11166	3.1
131.04881	2.6
131.08609	2.5
133.10115	8.8
135.11719	15.8
137.05977	5.9
137.13272	22.4
139.11183	4.3
141.12764	4.1
145.10129	2.7
147.11707	5.6
147.97974	2.1
149.13269	22.3
149.62523	2.2
151.03911	7.6
151.11174	7.8
153.12749	10.0
155.14317	5.1
159.11682	4.9
161.13333	5.0
163.14783	5.6
165.12743	4.5
167.07030	8.0
167.14217	2.2
169.12206	6.1
171.13864	4.4
175.14790	5.5
177.05489	3.0
177.16449	3.1
183.13905	3.4
186.17551	2.3
187.13298	10.9
187.14844	2.5
189.16455	2.7
197.08011	2.7
207.17383	3.0
259.24307	2.4
271.24084	6.2
277.25305	9.6
287.05670	3.5
289.25262	35.0
290.15341	3.0
295.26343	7.7
302.20837	2.9
307.26315	65.7
325.27359	20.4
343.28619	2.8
347.07648	7.3
361.29410	2.9
421.04352	3.0
541.20288	7.3
566.85516	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	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.01859	0.7
55.05513	0.3
57.03442	1.8
61.02927	0.4
61.72614	0.3
65.03928	0.4
65.81681	0.2
67.05482	0.4
68.65086	0.3
69.03419	0.8
69.07044	0.3
69.79835	0.5
69.80241	1.3
73.02919	2.7
73.05437	0.3
78.04701	0.5
79.05506	1.6
81.03410	0.3
81.07039	0.9
85.02896	0.8
91.05499	2.1
93.07042	1.5
95.04961	0.8
95.08575	0.5
97.02887	0.8
97.06519	0.3
103.05459	1.1
104.06328	0.3
105.07038	7.4
107.04951	1.7
107.08567	0.4
107.21815	0.3
107.64999	0.3
109.02809	0.3
109.06547	0.4
109.10118	0.4
115.05454	1.8
116.06185	0.3
117.06355	0.2
117.07045	2.0
118.04138	0.4
119.04945	1.0
119.08609	0.3
120.06575	0.3
120.08107	0.3
120.85467	0.3
121.06511	1.9
123.04411	0.7
123.08052	1.0
124.05188	0.4
128.06238	0.5
129.06992	1.3
131.04913	1.0
131.08563	0.8
133.06497	7.7
135.04309	0.3
135.08034	0.9
137.05972	1.9
138.06326	0.3
143.04951	0.4
143.06004	0.4
143.08562	0.9
145.02840	0.7
145.06479	1.0
147.04411	1.8
147.08031	0.6
149.05966	1.0
149.09583	0.6
151.04015	0.4
151.06413	0.5
151.07552	6.2
153.05463	0.9
157.06500	0.8
159.08083	0.5
160.05159	0.6
161.05983	8.8
161.09595	1.0
162.06778	2.1
163.07576	2.2
165.06972	0.3
165.09077	0.8
166.06252	0.7
167.07053	12.1
171.08025	0.7
174.06741	0.6
174.82175	0.3
175.07559	2.6
177.05939	1.9
177.09111	100.0
178.06258	0.5
178.09390	0.5
181.04953	0.5
181.08604	5.7
189.09085	4.4
191.07059	1.0
193.08612	45.6
195.08287	0.6
195.10143	3.5
197.09645	0.3
203.07094	0.4
203.10652	1.1
207.08276	0.5
207.10164	1.3
211.07535	0.4
219.08200	0.5
219.10100	0.5
221.05801	0.4
221.11734	18.2
223.07542	0.7
223.11201	0.4
225.09088	0.8
229.12286	0.3
237.09221	0.4
239.07005	0.4
251.06995	0.5
251.10799	0.8
253.08636	1.1
257.11734	0.9
267.10095	0.4
270.08780	0.4
271.09506	0.4
277.09061	0.3
279.10126	0.4
283.09677	0.8
283.13187	0.6
285.08148	0.3
285.11154	1.8
297.11130	0.5
302.11493	0.3
309.11072	0.5
310.11902	0.3
315.12225	1.2
317.13858	1.4
329.13776	0.9
341.13995	0.7
343.15326	1.7
354.95261	0.3
361.16467	18.6
373.16620	1.3
375.17947	0.4
454.13708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01855	0.8
55.05502	0.7
57.03439	0.6
61.02922	1.1
65.03944	0.5
67.05501	2.8
68.05846	0.7
69.03436	2.5
69.07062	1.7
70.06583	0.6
70.85111	0.7
70.85447	0.9
71.04990	0.9
73.02927	0.7
79.05492	1.2
81.03405	1.2
81.07062	5.0
82.07412	0.8
83.04980	0.5
83.08616	0.7
85.02910	7.3
91.04961	0.6
91.05476	6.5
92.40002	0.4
93.07037	2.3
93.97107	0.4
94.04170	0.5
94.07361	0.5
95.04976	2.1
95.08597	3.1
96.08957	0.7
97.02872	2.6
97.06533	0.5
99.04444	1.4
103.05432	1.1
105.07043	2.2
107.04945	2.0
107.08578	1.7
108.08908	0.7
109.02855	0.9
109.06512	1.5
109.10176	4.6
110.10484	2.0
111.04380	0.5
115.05444	0.6
117.07002	0.6
119.04943	4.8
119.08568	1.4
120.08903	0.5
121.06549	2.4
121.10164	1.0
122.03656	1.3
123.04419	0.5
123.08044	0.6
123.11707	1.2
124.12069	0.8
127.03900	1.2
128.06244	0.8
129.07013	4.0
131.04890	2.4
131.08588	1.0
133.06514	0.9
133.10098	1.0
135.08064	2.1
135.11661	1.0
136.05168	1.2
137.05975	29.2
143.04961	0.6
145.04973	1.2
145.06445	1.0
147.04419	1.1
147.08063	0.7
147.11661	0.6
149.05977	4.7
149.13243	0.9
151.03922	1.4
151.07542	37.9
155.10722	0.5
157.06509	4.1
161.05997	4.8
161.09616	1.4
163.03917	0.6
163.07535	9.5
165.06995	1.5
165.09123	1.8
166.07811	0.4
167.07156	0.7
167.08569	3.7
174.06805	2.2
175.07571	3.0
177.05537	0.7
177.09126	3.2
178.07722	0.8
181.51312	0.4
182.07335	0.6
189.09108	13.6
193.06540	1.1
193.10129	2.0
195.08070	6.1
195.09883	0.8
196.08981	0.4
197.09619	0.5
200.47632	0.4
203.08604	1.1
206.07037	0.5
207.08295	0.7
207.10196	2.3
209.09598	1.1
210.06746	1.5
211.07687	0.4
211.16995	2.5
212.08379	1.0
221.05969	2.2
221.09608	3.9
221.11652	0.7
223.07541	3.8
224.08298	1.2
225.09071	3.4
227.10661	12.1
231.08063	0.7
237.09119	1.4
238.06223	0.9
238.09862	0.6
239.06937	0.9
240.07874	1.2
241.12299	0.6
249.09148	2.5
253.08556	4.7
253.12251	6.8
255.10168	13.3
265.08597	0.7
267.10162	2.5
269.08148	1.1
269.11588	0.7
270.08990	0.6
271.12958	0.5
272.10648	1.0
281.11707	2.4
284.10410	0.8
285.11234	8.3
287.12784	21.4
288.24191	0.9
289.14795	0.5
293.11823	0.6
299.12662	2.0
301.14398	0.8
305.24942	0.8
306.24954	2.2
311.12717	1.3
313.14331	19.6
323.25751	1.2
324.26123	2.7
331.15402	100.0
332.15887	1.2
343.15356	2.8
347.07349	0.6
439.17386	0.6
540.13385	1.0
540.20941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01855	0.8
55.05502	0.7
57.03439	0.6
61.02922	1.1
65.03944	0.5
67.05501	2.8
68.05846	0.7
69.03436	2.5
69.07062	1.7
70.06583	0.6
70.85111	0.7
70.85447	0.9
71.04990	0.9
73.02927	0.7
79.05492	1.2
81.03405	1.2
81.07062	5.0
82.07412	0.8
83.04980	0.5
83.08616	0.7
85.02910	7.3
91.04961	0.6
91.05476	6.5
92.40002	0.4
93.07037	2.3
93.97107	0.4
94.04170	0.5
94.07361	0.5
95.04976	2.1
95.08597	3.1
96.08957	0.7
97.02872	2.6
97.06533	0.5
99.04444	1.4
103.05432	1.1
105.07043	2.2
107.04945	2.0
107.08578	1.7
108.08908	0.7
109.02855	0.9
109.06512	1.5
109.10176	4.6
110.10484	2.0
111.04380	0.5
115.05444	0.6
117.07002	0.6
119.04943	4.8
119.08568	1.4
120.08903	0.5
121.06549	2.4
121.10164	1.0
122.03656	1.3
123.04419	0.5
123.08044	0.6
123.11707	1.2
124.12069	0.8
127.03900	1.2
128.06244	0.8
129.07013	4.0
131.04890	2.4
131.08588	1.0
133.06514	0.9
133.10098	1.0
135.08064	2.1
135.11661	1.0
136.05168	1.2
137.05975	29.2
143.04961	0.6
145.04973	1.2
145.06445	1.0
147.04419	1.1
147.08063	0.7
147.11661	0.6
149.05977	4.7
149.13243	0.9
151.03922	1.4
151.07542	37.9
155.10722	0.5
157.06509	4.1
161.05997	4.8
161.09616	1.4
163.03917	0.6
163.07535	9.5
165.06995	1.5
165.09123	1.8
166.07811	0.4
167.07156	0.7
167.08569	3.7
174.06805	2.2
175.07571	3.0
177.05537	0.7
177.09126	3.2
178.07722	0.8
181.51312	0.4
182.07335	0.6
189.09108	13.6
193.06540	1.1
193.10129	2.0
195.08070	6.1
195.09883	0.8
196.08981	0.4
197.09619	0.5
200.47632	0.4
203.08604	1.1
206.07037	0.5
207.08295	0.7
207.10196	2.3
209.09598	1.1
210.06746	1.5
211.07687	0.4
211.16995	2.5
212.08379	1.0
221.05969	2.2
221.09608	3.9
221.11652	0.7
223.07541	3.8
224.08298	1.2
225.09071	3.4
227.10661	12.1
231.08063	0.7
237.09119	1.4
238.06223	0.9
238.09862	0.6
239.06937	0.9
240.07874	1.2
241.12299	0.6
249.09148	2.5
253.08556	4.7
253.12251	6.8
255.10168	13.3
265.08597	0.7
267.10162	2.5
269.08148	1.1
269.11588	0.7
270.08990	0.6
271.12958	0.5
272.10648	1.0
281.11707	2.4
284.10410	0.8
285.11234	8.3
287.12784	21.4
288.24191	0.9
289.14795	0.5
293.11823	0.6
299.12662	2.0
301.14398	0.8
305.24942	0.8
306.24954	2.2
311.12717	1.3
313.14331	19.6
323.25751	1.2
324.26123	2.7
331.15402	100.0
332.15887	1.2
343.15356	2.8
347.07349	0.6
439.17386	0.6
540.13385	1.0
540.20941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01859	0.6
55.05512	0.3
57.03435	0.8
61.02925	1.0
67.05499	1.3
68.25451	0.3
69.03434	2.2
69.07058	1.1
69.71368	1.7
69.86153	0.4
70.06577	0.4
71.04989	0.6
73.02921	0.5
79.05482	0.9
81.03401	1.0
81.07059	4.8
82.07397	0.8
83.04985	0.5
85.02911	7.6
85.06562	0.5
91.03953	0.3
91.05491	5.8
93.07059	1.9
94.07367	0.6
95.04971	2.1
95.08601	2.7
96.08972	0.5
97.02888	1.4
99.04446	0.8
103.05490	0.4
105.07016	2.5
106.07385	0.4
107.04951	1.6
107.08573	1.4
108.08958	0.6
109.02873	1.0
109.06503	1.1
109.10159	2.6
110.10487	1.0
111.04446	0.6
117.07050	0.7
119.04943	5.0
119.08553	0.7
120.08881	0.6
121.01460	0.3
121.06535	1.2
121.10143	1.2
122.03672	1.2
123.04400	0.6
123.08077	0.4
123.11722	1.0
127.03932	1.2
128.06261	0.4
129.07008	2.3
131.04965	2.1
131.08495	0.4
133.06500	0.5
133.10129	0.8
135.08075	1.4
135.11696	0.9
136.05219	0.8
136.12016	0.4
137.05988	24.3
143.08540	0.4
145.04962	0.9
145.06499	1.2
147.04395	0.7
149.05986	4.3
149.13251	0.4
150.06723	0.4
151.03931	1.5
151.07555	30.3
152.06181	0.4
153.12750	0.5
157.06499	3.2
161.06000	4.3
161.09639	0.8
162.06781	0.4
163.06274	0.7
163.07559	8.2
165.07010	0.8
165.09117	1.5
167.07118	1.0
167.08588	2.9
169.06404	0.4
174.06808	1.8
175.07524	2.7
177.05495	1.0
177.09157	2.8
178.07751	0.6
179.08636	0.5
189.09119	10.3
190.09567	0.4
193.06485	1.5
193.10143	1.9
194.07379	0.6
195.08093	6.2
195.09834	0.7
197.06033	0.6
206.07301	0.8
207.06445	0.4
207.10149	2.3
209.07941	0.4
209.09761	0.8
210.06830	1.0
211.07515	0.7
211.17004	1.0
212.08356	1.3
213.03935	0.4
221.06125	1.9
221.09637	2.6
221.11720	0.7
223.07623	3.1
224.08354	1.0
225.09059	2.6
227.10687	9.1
232.08815	0.4
237.09109	1.0
238.06284	1.0
238.09929	0.5
240.07755	1.1
241.12207	0.5
248.08130	0.5
249.09099	1.5
253.08633	3.8
253.12248	4.7
255.07321	0.6
255.10191	9.7
256.10956	0.5
266.09595	0.5
267.10245	1.6
269.08124	1.1
269.11621	0.6
272.10477	1.2
281.11740	2.0
284.10428	0.6
285.11249	6.3
287.12787	17.9
288.24036	0.6
298.11823	0.4
299.12866	0.6
301.14529	0.8
305.24911	0.7
306.25085	1.6
311.12750	1.0
313.14352	17.6
323.25909	0.8
324.26105	1.9
331.15427	100.0
332.15768	1.4
343.15366	3.9
347.07620	0.7
540.13586	0.4
540.21014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01435	1.8
55.01866	2.2
55.05513	2.0
56.96610	1.5
57.03446	8.0
59.05013	2.9
67.05504	5.8
69.03435	34.0
69.07079	3.9
70.06590	4.9
71.32220	4.3
72.09457	1.5
73.02908	2.1
75.04475	1.7
79.05502	6.6
81.03422	4.5
81.07063	5.7
83.04961	1.8
85.02910	21.7
85.06518	2.1
87.04474	19.3
91.05489	100.0
93.07053	5.0
95.04984	3.6
95.08636	2.8
97.02904	28.6
97.06567	2.2
99.04492	2.7
103.05459	1.5
105.07032	6.2
107.04964	57.2
107.08609	2.8
109.10163	5.1
112.63365	1.5
115.03943	36.9
117.07010	2.4
119.04959	3.1
119.08644	2.0
121.06528	2.3
121.10150	2.2
127.03943	2.9
131.04961	5.1
131.08601	2.0
133.04979	39.3
133.10176	2.8
135.04323	1.8
135.11740	2.1
137.05988	74.7
145.04990	4.7
161.09651	3.8
173.05954	2.0
177.05472	3.0
181.04991	2.1
181.08682	10.2
181.09998	2.1
191.07033	2.3
193.08662	2.3
229.08635	5.3
229.14441	5.1
251.11768	1.6
277.09375	2.1
327.13446	3.0
349.23703	3.1
392.18457	4.5
395.29419	1.5
508.20840	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	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01849	0.5
62.67323	0.5
67.05495	1.2
69.03433	1.1
69.07063	1.0
69.62708	3.1
69.63121	0.8
70.06590	1.2
79.05491	1.0
81.07061	1.7
85.02898	3.4
91.05480	1.5
93.07025	1.8
95.04948	0.6
95.08591	1.7
97.02885	1.6
97.06498	0.5
98.20772	1.1
105.07043	0.7
107.08578	1.2
109.02902	0.6
109.10159	0.9
115.05418	1.0
119.08552	0.7
121.06516	1.2
121.10132	1.1
123.11692	0.8
128.06241	1.0
129.06984	3.3
131.04945	1.2
131.08572	4.6
133.10121	0.8
135.04430	0.5
135.11691	0.8
137.05959	1.7
141.06952	3.5
143.04933	0.7
143.08568	0.7
145.06409	0.5
145.10094	0.7
149.05956	1.0
151.03957	0.7
152.04230	0.5
157.06514	4.0
158.07278	1.8
159.08090	3.9
160.05179	0.8
161.73949	0.5
162.06618	0.6
163.03860	1.2
163.11134	0.7
167.07137	0.7
169.06502	2.4
171.02190	0.6
174.06776	8.6
175.07506	1.7
177.05415	0.7
181.05006	0.6
186.06760	2.6
188.08394	0.6
189.09116	19.5
191.06961	0.8
191.10658	1.6
201.09113	7.5
203.10678	3.3
209.08076	1.2
219.10176	100.0
220.10524	1.0
237.11212	2.0
271.09424	0.6
272.92615	0.5
303.04868	0.6
342.26257	0.7
361.22589	0.6
409.02618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.5
57.03434	1.7
57.49611	1.0
67.00914	1.2
67.05489	1.7
69.03435	2.6
69.07066	1.9
70.06591	3.1
71.00311	2.3
71.04957	1.2
73.02917	1.7
79.05482	1.4
81.03404	1.6
81.07045	3.7
83.08619	1.2
85.02917	5.4
85.06512	1.2
91.05475	4.7
93.07024	2.3
95.04974	2.3
95.08613	1.5
97.02912	2.4
97.06563	1.9
98.97631	1.1
100.11258	3.5
105.07065	1.4
107.08598	1.7
109.02879	2.1
109.10154	2.8
112.07644	1.4
119.04971	2.3
119.08588	2.8
120.02225	1.1
121.10159	1.9
123.08038	2.6
127.03920	1.2
127.86674	1.2
129.07011	5.3
131.04918	1.4
131.08592	4.0
131.44934	1.1
131.46138	1.3
133.10126	1.2
135.08061	1.3
135.11710	1.3
137.05983	12.1
140.95953	1.1
141.06998	2.4
141.09119	1.8
144.91205	1.5
147.04433	2.7
149.05981	3.8
151.03923	2.8
151.07558	9.1
154.08629	1.4
157.06490	6.5
158.07237	2.4
159.08055	5.8
163.03920	1.5
163.07533	3.5
167.07095	3.7
169.06458	1.9
174.06790	10.1
175.07550	2.7
177.05508	2.4
181.05022	1.7
181.12180	1.5
186.06805	2.6
189.09122	23.7
191.07074	1.7
195.08052	2.3
201.09128	5.2
210.15067	1.4
219.10178	100.0
220.10695	1.6
227.10735	3.1
237.11264	2.8
253.08627	2.2
253.12234	1.9
255.10081	2.0
259.06100	2.4
281.11615	1.3
285.11243	2.8
287.12762	6.0
313.14374	5.1
331.15417	23.4
501.81650	1.3
539.41241	1.8
540.41919	6.4
541.22675	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	539.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.4
55.05260	2.2
55.05508	17.4
57.03444	3.4
57.07078	42.4
59.04995	2.7
67.05511	32.0
69.07062	12.3
69.40510	14.2
70.94950	1.6
71.04989	2.8
71.08638	27.2
73.02895	1.5
79.05492	19.1
81.03433	5.4
81.07059	31.2
83.04984	19.6
83.08616	15.7
83.08981	1.5
85.02886	3.3
85.10191	18.7
89.06059	2.3
91.05470	15.7
93.07056	20.9
95.04979	6.7
95.08616	23.8
97.02901	3.2
97.06540	4.7
97.10175	8.4
98.21495	3.7
99.04482	2.4
105.07056	5.4
107.04979	5.2
107.08605	11.9
109.10152	18.6
111.04443	33.3
111.08090	11.1
117.07036	6.9
117.83220	1.7
119.08591	8.7
121.06495	2.7
121.10173	12.0
123.08096	1.8
123.11713	3.8
125.08342	1.5
125.09556	2.1
129.05400	1.6
129.07002	2.8
131.04156	1.6
131.08549	8.3
131.99446	1.8
133.10112	3.0
135.08083	3.3
135.11700	16.7
137.13309	2.4
143.08638	2.0
145.10126	15.8
147.04451	2.5
147.08116	2.0
147.11710	2.4
149.09647	3.2
153.12749	13.7
163.11195	24.3
173.09637	4.8
181.12221	19.2
181.13660	1.8
185.25613	1.7
191.10690	24.0
209.11746	26.5
225.95749	1.9
227.12782	37.9
229.67281	2.0
239.23737	8.1
276.20483	2.5
283.15433	37.6
293.21353	2.0
313.27383	14.8
341.26962	2.5
386.14890	1.7
521.38220	10.7
539.39380	100.0
540.39526	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50224	2.2
54.06932	2.2
55.01868	3.6
55.05515	19.3
57.03444	12.5
57.07081	40.4
64.57735	2.0
65.03931	2.2
67.05511	24.1
69.07068	15.6
70.84560	5.0
70.84917	2.1
71.05001	4.5
71.08640	31.7
75.87363	2.0
79.05503	28.3
81.03453	2.6
81.06634	3.8
81.07066	32.6
82.00311	2.1
82.87623	2.3
83.05006	3.7
83.08614	16.3
85.02920	2.0
85.10178	15.0
86.91559	2.3
89.06012	2.3
91.05485	10.7
93.07051	32.3
95.04966	7.4
95.08612	48.3
97.02916	2.4
97.06498	2.8
97.10179	8.5
99.04500	3.8
101.66159	2.3
105.07072	7.9
107.04970	8.6
107.08627	23.6
109.10172	15.7
111.04466	4.8
117.07016	8.7
119.08577	10.3
121.06494	5.2
121.10145	12.4
123.11762	3.7
125.06001	4.0
125.09635	2.2
133.10181	2.5
135.11707	34.8
137.13312	2.3
145.10144	25.3
147.43080	2.3
163.11201	51.6
173.09711	2.0
181.12244	15.5
209.11714	2.9
227.12791	100.0
239.23740	5.0
252.83006	2.2
283.15430	61.2
311.62598	2.4
313.27377	99.7
388.72925	2.1
521.38403	72.3
539.39349	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05521	15.9
57.03427	2.0
57.07069	5.7
67.05509	27.1
69.03420	6.5
69.06726	1.8
69.07075	25.2
69.54031	15.2
71.04981	6.6
79.05505	19.4
81.03423	4.1
81.07065	100.0
83.04973	5.5
83.08632	8.5
85.02912	8.3
85.06524	7.7
91.05478	13.2
93.07050	47.2
95.04983	9.3
95.08616	55.5
97.02879	2.6
97.06536	9.2
97.10158	5.5
98.21601	1.8
99.08077	2.5
105.07037	28.8
107.04945	2.3
107.08601	42.9
108.90881	1.6
109.06539	8.3
109.10159	47.6
111.08088	6.4
111.11723	2.8
115.07553	1.8
117.07021	1.9
119.08582	28.1
121.06489	2.7
121.10152	33.6
123.08027	4.4
123.11713	25.3
124.07610	5.8
125.09637	6.3
127.03921	2.9
127.07591	2.9
131.08592	9.2
133.10150	17.9
135.08112	1.9
135.11716	26.2
137.05991	6.6
137.09613	6.0
137.13266	4.3
139.11191	5.3
145.10107	11.1
147.04378	1.9
147.11696	22.0
149.13290	20.0
151.07538	3.4
151.14790	1.9
153.12779	9.3
157.10083	2.7
159.11737	10.1
161.05974	6.1
161.09657	2.2
161.13298	10.7
163.11131	2.3
163.14832	5.4
165.12733	4.6
167.07173	2.0
167.10716	2.1
169.12253	3.7
171.11607	2.5
173.13292	6.2
175.07466	2.4
175.14824	4.6
177.05511	2.4
177.12752	3.4
177.16394	6.6
182.08755	2.2
185.13144	2.4
187.13322	2.6
187.14867	3.2
189.09177	3.0
189.16393	7.9
193.12361	2.0
193.16008	2.2
199.14867	2.6
201.16345	3.4
203.17976	4.8
207.10123	3.2
207.17427	3.4
209.11795	4.9
210.12035	2.5
213.16383	3.3
215.17946	1.9
225.18500	5.7
229.19681	2.4
243.20976	2.3
269.22650	6.9
275.23730	5.0
287.23685	15.0
293.24686	5.2
305.24792	36.3
311.25854	2.2
323.25851	48.3
341.26962	5.5
377.29053	2.4
539.21075	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	539.3433
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01846	1.8
55.05516	14.2
56.31596	2.0
57.03440	4.8
57.07080	4.9
62.53802	2.0
64.39362	1.8
65.03938	3.7
66.38334	2.2
67.05507	29.8
69.03423	5.5
69.07077	30.5
69.97809	6.9
69.98228	6.0
71.05003	8.5
79.05505	19.9
81.03406	3.5
81.07066	100.0
83.04989	7.6
83.08634	12.4
85.02916	7.7
85.06547	9.1
91.05502	13.0
93.07055	47.1
93.33846	2.1
95.04977	17.6
95.08616	58.3
97.02913	3.7
97.06535	6.7
97.10184	6.9
98.20761	2.4
99.04456	2.3
99.08124	3.8
103.05475	3.4
105.07016	18.0
107.08595	32.6
109.06527	7.5
109.10166	86.7
111.08098	8.0
111.11717	3.0
115.07592	2.1
115.76372	2.3
119.04994	2.9
119.08586	18.6
121.02878	2.3
121.06504	3.8
121.10150	41.1
123.11720	49.2
125.09676	4.8
127.07578	5.3
127.11245	3.9
131.04919	3.1
131.08592	3.8
133.10146	14.1
135.11688	23.5
137.05971	17.9
137.09650	2.9
137.13243	7.1
139.11205	8.2
145.02811	2.9
145.10124	9.1
147.04442	4.8
147.11731	14.4
149.05942	4.9
149.13283	13.4
151.03951	2.6
151.07565	3.7
151.11205	3.0
153.12726	8.9
157.10184	2.7
159.11711	7.0
161.13319	8.7
163.11209	2.3
163.14871	5.0
165.12743	7.6
167.07103	5.1
167.10687	5.0
171.11716	2.5
171.13893	2.7
173.11809	3.9
173.13268	4.8
175.07549	4.2
175.14799	5.1
177.05482	7.9
177.16354	2.8
181.04904	3.1
181.12312	2.3
182.09363	2.4
183.13832	3.0
185.13322	3.9
187.13254	4.9
187.14789	3.9
189.16469	5.9
191.07071	5.3
193.15854	3.9
199.14815	2.8
207.06448	5.1
209.08087	10.4
213.16469	3.4
217.19583	2.9
259.24176	3.9
269.22632	9.3
275.23840	3.4
277.25320	3.6
287.23752	16.6
293.24759	13.1
296.14648	2.3
305.24792	48.3
311.25946	4.2
323.25879	31.8
341.26944	4.0
377.08640	4.6
539.20862	3.1
539.28925	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	539.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12991	1.2
60.05659	1.3
60.28626	0.9
61.02929	1.3
67.18700	1.1
69.03429	3.8
70.06593	11.0
70.19755	4.5
71.62000	1.0
72.08150	1.4
73.02930	1.3
77.24633	1.0
81.03393	1.5
84.04514	1.5
85.02917	7.3
95.06090	2.0
95.08545	1.1
97.02901	3.0
98.97617	2.0
99.04459	1.3
102.94966	1.1
107.05015	1.1
112.08703	1.2
113.12162	1.0
114.10276	2.4
115.05091	1.3
116.07129	5.4
116.36848	0.9
119.01915	5.0
121.99115	1.0
123.04420	1.0
127.03953	3.0
129.95435	0.9
130.09781	1.2
131.01959	1.9
132.04437	1.8
133.06136	4.0
135.04437	1.3
137.06880	5.1
138.05258	7.6
139.03925	1.3
141.14223	1.0
143.01915	3.5
145.03429	2.1
145.04958	2.0
152.06949	1.1
155.01860	1.5
157.03484	1.4
161.03030	5.6
162.06406	2.3
169.09320	1.4
171.10939	3.9
172.09207	1.5
173.02960	5.1
175.04388	1.3
175.11955	4.4
177.00732	1.4
178.05879	1.0
179.09058	27.4
180.07458	7.3
185.02917	3.0
185.04309	11.5
187.04602	2.1
187.10503	1.8
189.11996	6.7
194.96698	1.3
196.87891	5.2
196.96593	2.3
197.02982	1.4
197.10133	59.9
198.07672	3.2
203.05368	26.7
209.07762	2.8
215.03955	1.9
215.09967	18.1
216.08258	1.5
219.01881	1.7
220.06897	1.7
220.09029	1.2
221.05077	1.6
227.04008	1.5
233.11017	13.6
238.11639	1.5
239.09933	3.7
245.01826	0.9
245.02678	1.2
245.05150	10.7
246.05214	1.2
251.09807	1.5
257.05057	1.6
257.11005	25.0
263.06110	2.6
269.05475	1.4
269.11041	1.5
275.02634	1.4
275.06128	1.5
275.12033	3.0
281.07120	1.8
284.99554	1.6
287.12137	2.5
288.07813	1.5
305.06918	1.5
317.13058	4.9
333.19141	1.6
341.13165	1.2
359.04761	2.0
359.14191	5.2
365.10577	100.0
366.10925	1.5
377.06290	3.6
539.11658	6.0
539.22241	1.9
540.09625	1.1
546.09839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2124
Annotation	epi-Fibrauretinoside A
Peak:m/z	Relative Intensity
55.01874	2.7
55.05506	1.4
57.03431	1.0
67.05518	2.4
69.03432	1.1
69.07057	1.3
70.06592	4.7
71.04970	1.6
71.37568	0.4
71.39523	0.4
73.02956	0.5
79.05484	3.2
81.03419	1.0
81.07058	3.4
83.04987	0.6
83.08624	0.6
85.02891	2.0
85.06556	0.7
91.05500	2.8
93.07061	3.3
95.04943	1.1
95.08612	2.7
97.02884	0.9
97.06503	0.9
98.20690	0.9
103.05444	0.5
105.07024	2.1
107.04954	1.4
107.08602	2.2
109.02924	0.6
109.06480	0.7
109.10175	1.0
110.04836	0.4
111.04462	0.6
112.08726	1.1
117.06999	0.7
119.08572	0.6
121.02856	0.7
121.06493	0.4
121.10149	1.1
123.04430	1.1
123.11691	0.5
125.05966	0.6
127.03906	0.6
131.04944	0.6
131.08565	0.9
133.10170	0.5
135.11670	0.7
137.05951	2.5
139.03888	1.4
145.02893	0.4
145.10085	1.3
147.04396	1.1
149.09601	0.6
151.03911	1.0
153.01837	12.3
161.05925	0.4
163.03856	1.2
163.07500	1.0
165.01872	0.6
165.05440	0.6
167.07036	1.3
175.07536	0.8
177.05510	1.6
179.03398	2.9
181.05028	1.0
181.08577	0.5
189.05521	0.6
189.09151	0.7
191.03407	1.0
191.06996	0.7
192.04214	2.8
193.04962	1.8
193.08553	0.6
203.07025	0.9
205.04976	8.2
207.06560	0.7
210.15001	0.5
215.07159	0.5
215.13770	0.4
217.05032	0.9
217.08475	0.5
219.06532	0.8
229.04816	0.6
231.06555	4.1
233.08084	0.8
245.08134	1.9
247.09648	1.3
257.11847	0.7
259.09528	0.8
261.11215	1.5
275.12665	1.3
289.10779	6.4
299.12973	0.6
305.13934	2.9
305.24646	0.5
313.14398	2.5
317.13824	19.0
323.12622	0.6
323.25671	0.6
331.15399	15.7
341.13892	8.1
347.03864	0.5
359.14890	48.3
362.06165	0.8
377.09171	3.9
377.15948	100.0
378.16299	0.5
539.20160	0.9
539.34747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.05505	15.6
57.03432	12.7
57.07080	32.0
66.98125	3.7
67.05509	50.9
69.07075	16.1
70.87860	10.8
71.08636	31.1
75.97477	2.9
79.05498	58.1
81.03393	5.6
81.07056	40.6
82.14202	3.0
83.04977	10.9
83.08616	15.3
85.06563	3.4
85.10193	12.4
91.05482	43.2
93.07044	56.4
95.04970	17.4
95.08611	36.5
96.54594	2.8
97.06544	5.7
97.10175	7.8
105.07043	33.1
107.04962	6.3
107.08617	12.0
109.10146	9.1
117.06982	4.3
119.08571	18.9
123.08038	4.8
129.06995	17.1
133.10126	9.3
143.08572	4.4
145.10132	6.9
147.11664	35.9
161.09668	3.9
161.13284	10.5
170.95428	3.8
171.11710	26.5
189.12740	7.7
199.49763	2.9
207.13852	24.4
211.11113	4.0
236.58180	3.3
239.23779	5.3
250.37964	4.3
251.98190	3.5
281.17474	57.2
313.24011	6.2
313.27377	69.1
488.87454	4.2
488.94705	3.6
519.40448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	2.1
53.03938	1.9
55.01876	3.0
55.05515	17.4
57.03439	2.5
57.07079	26.0
58.96712	1.2
64.41679	1.2
67.05174	1.5
67.05508	19.3
69.07072	8.4
70.33054	5.1
71.01351	1.9
71.04984	1.2
71.08635	17.9
73.02917	1.2
75.99368	1.1
79.05508	7.3
81.03420	3.3
81.07063	21.9
83.04987	1.8
83.08624	12.7
85.10181	8.6
91.05477	16.9
93.07045	11.4
95.04978	4.7
95.08612	23.6
97.02919	2.2
97.06541	2.9
97.10167	6.4
98.21378	1.5
99.00804	7.6
105.07039	12.1
107.04973	5.2
107.08602	5.5
109.02898	5.5
109.06533	2.0
109.10162	10.5
111.04478	1.5
111.08098	1.9
115.03875	1.5
117.07024	2.6
118.35284	1.3
119.04951	3.6
119.08585	5.0
121.06531	3.7
121.10178	1.8
123.08043	1.4
123.11733	3.1
127.03969	2.1
131.08475	1.4
133.06494	1.8
133.10139	20.6
135.11673	2.5
137.05943	1.8
137.13292	1.4
139.07558	2.4
143.08585	2.9
145.10069	1.4
147.04440	9.1
151.11226	6.8
161.09633	8.6
179.10690	5.8
185.46954	1.4
189.09161	6.8
191.10738	1.6
197.11723	2.2
207.10352	2.6
225.11223	14.3
239.23769	7.7
243.12346	4.2
274.05777	1.3
281.13858	2.8
479.17313	1.6
537.37915	100.0
538.38062	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03942	0.5
69.03420	0.6
70.72258	0.4
70.72663	0.3
72.25914	0.1
74.64563	0.1
78.04691	0.3
79.05489	0.3
81.03426	1.2
81.07032	0.2
83.12384	0.2
85.02910	0.5
91.05497	0.4
93.07043	0.4
95.04964	0.3
95.08569	0.2
97.02898	1.1
99.04463	0.5
103.05460	0.3
107.04958	2.5
107.08618	0.2
109.02880	2.1
109.41581	0.2
120.97415	0.1
121.06502	1.5
123.04411	0.8
124.05215	0.3
127.03928	2.6
132.04462	3.7
134.03673	0.2
135.04469	0.3
135.12457	0.1
137.05983	0.4
145.06528	0.2
147.04387	0.5
148.05177	0.4
149.05977	0.9
151.03937	0.2
152.04697	0.5
154.52919	0.2
161.05971	0.2
162.01921	0.2
166.06204	0.2
167.07042	100.0
168.07379	0.4
173.05989	0.2
176.04683	0.6
177.05470	6.9
181.08583	1.6
187.05986	0.3
191.07117	0.2
193.08549	0.2
194.05719	0.5
202.05025	0.2
207.06557	0.4
209.08093	38.8
221.08029	0.4
227.09152	5.7
239.09064	1.0
251.09190	0.5
269.10281	0.2
281.10382	0.2
281.13715	0.2
285.07584	0.4
299.11279	0.3
317.10190	2.0
335.11282	1.8
353.12332	10.9
371.13330	1.4
508.23080	0.2
527.67603	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	537.1606
Annotation	3,6,7,4'-tetramethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.14516	0.2
71.04964	0.3
71.15186	0.3
72.30656	0.2
76.27588	0.2
77.30966	0.2
85.02872	0.4
91.05439	0.8
95.04984	0.2
107.04939	0.4
107.08569	0.2
109.10124	0.2
121.02809	0.3
123.04427	0.3
131.04898	0.3
135.04320	0.2
137.05942	0.6
138.06735	0.3
139.00217	0.3
147.04347	0.3
149.02347	0.3
151.07481	0.5
155.06934	0.2
163.03828	0.3
165.05479	2.7
165.06732	0.3
167.06938	0.2
175.03870	0.3
178.06108	0.4
183.02892	1.2
191.07092	1.0
200.77513	0.2
207.06400	0.2
215.07121	0.3
219.06520	0.5
228.04042	0.3
243.06535	0.6
247.05997	0.8
257.04517	0.3
258.05228	0.4
261.07556	0.8
271.06033	1.0
273.03604	0.3
273.07675	0.4
274.04697	0.3
275.05530	0.9
285.04053	0.3
285.07550	0.2
286.04767	0.5
289.07257	1.2
299.05527	1.8
300.05835	0.2
301.03525	0.5
301.07114	1.0
302.00726	0.4
302.04218	7.7
313.03348	0.5
314.04236	0.4
314.07806	0.3
315.04999	0.5
316.05881	0.6
317.06558	13.6
322.02087	0.2
327.04987	0.4
328.05695	0.3
329.06601	1.0
330.03735	2.5
331.08130	1.0
343.08401	0.3
344.05383	1.2
345.06055	18.5
346.06598	0.3
349.15100	0.3
359.07629	3.2
360.08395	51.1
361.08875	0.5
375.10742	100.0
376.11023	0.9
376.15640	0.2
446.60742	0.2
451.90280	0.2
537.16046	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	537.1608
Annotation	3,6,7,4'-tetramethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
61.40756	0.2
65.99669	0.2
69.03424	0.3
71.09355	0.2
71.25088	0.2
71.25401	0.2
73.09187	0.2
76.02225	0.4
81.07069	0.2
85.02906	0.9
85.06514	0.2
86.09731	0.2
94.53866	0.2
95.04996	0.3
95.08577	0.2
97.02888	0.3
98.17065	0.2
111.55990	0.2
115.07487	0.2
121.02872	0.7
123.04457	0.2
127.03910	0.3
128.99295	0.2
129.06972	0.2
132.83047	0.2
137.02318	0.2
137.05992	0.7
139.00912	0.2
144.75880	0.2
151.03889	0.7
159.13834	0.2
167.03398	0.3
167.07062	0.3
178.05022	0.5
179.03378	0.2
179.04822	0.3
181.04994	0.6
181.08661	0.2
193.04774	0.2
195.06538	0.8
201.05559	0.2
215.06915	0.2
225.05455	0.6
229.04973	0.4
231.06517	0.3
237.16296	0.2
237.18671	0.2
239.03578	0.2
240.07837	0.3
241.04927	0.2
243.06526	0.7
253.05054	0.8
255.06516	0.7
256.03516	0.3
257.04440	0.8
258.05145	0.3
267.06757	0.2
269.04593	0.3
270.05322	0.6
271.06049	2.6
273.04071	0.3
282.05048	0.2
283.05899	0.9
284.03165	0.3
285.04007	3.2
285.07449	0.5
286.04980	0.3
286.08191	0.4
287.05692	0.3
296.06766	0.3
298.04599	0.3
299.05579	1.7
300.06326	0.3
302.04303	1.0
308.09131	0.3
311.05505	0.5
313.03522	1.4
313.06870	0.3
314.04599	0.8
314.07843	16.6
315.04932	1.4
317.06573	2.0
326.04181	0.3
327.04938	0.6
327.11685	0.2
329.06604	3.2
330.03723	0.5
330.07449	0.5
331.08109	1.0
333.19901	0.2
336.08774	0.2
341.06586	1.0
342.07346	5.0
343.08136	0.8
344.05157	0.3
345.06052	7.4
346.06784	1.2
359.07608	7.3
360.03738	0.2
360.08386	10.8
375.10748	100.0
376.11142	0.7
389.74283	0.2
531.16614	0.2
537.15869	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1605
Annotation	3,6,7,4'-tetramethylquercetagetin 3'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	2.2
55.05515	3.0
60.41827	1.8
61.02908	2.4
62.55720	1.8
67.05505	5.7
69.03430	2.2
69.07057	5.7
69.42950	20.3
70.06604	4.8
71.04968	3.3
79.05482	4.4
81.03408	4.5
81.07056	11.1
85.02899	10.1
91.05438	4.7
93.07040	7.2
95.04972	3.6
95.08606	13.4
97.02880	7.7
105.07024	6.6
107.04935	2.4
107.08598	4.1
109.02883	2.4
109.10161	3.3
118.70173	2.3
119.08596	2.4
121.10149	3.2
123.04401	2.3
123.11693	3.1
125.05995	2.6
127.03977	2.1
131.04958	3.0
132.52713	2.2
133.10143	2.5
134.10530	2.0
135.11702	3.5
137.05957	5.5
145.10115	3.4
147.11699	2.6
149.57156	2.1
151.03970	2.9
151.11172	2.0
153.05560	2.0
159.11725	2.5
161.13249	2.2
167.03435	10.0
167.06985	4.9
175.14853	2.1
190.16046	1.9
193.08690	2.7
194.99518	2.1
231.06499	2.6
257.04581	2.4
287.09131	2.3
289.07141	4.0
298.60110	2.2
299.06116	3.5
300.06387	2.8
303.23178	7.2
315.08569	7.8
317.06546	6.8
321.24075	6.2
322.24551	4.3
327.04956	2.8
331.08075	3.3
339.25369	10.1
340.25647	6.7
343.08054	8.8
345.06171	17.1
360.08441	11.9
375.10767	100.0
375.97812	2.1
387.16415	2.2
537.26837	7.3
561.94928	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1606
Annotation	3,7,3',4'-tetramethylquercetin 2'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.20034	0.8
55.05529	1.1
56.62872	0.8
61.02922	1.5
64.95199	0.9
67.05507	2.8
69.03441	3.3
69.07071	1.4
70.06609	3.4
70.80149	3.0
71.36897	0.8
73.02928	1.2
79.05508	1.7
81.03436	2.3
81.07077	3.5
85.02917	5.6
91.05477	2.1
93.07072	1.8
95.04940	1.3
95.08639	1.8
97.02913	2.7
97.06561	1.2
107.08664	1.3
109.10164	1.7
119.08595	1.4
121.06458	1.0
121.10131	2.6
127.03951	1.6
131.04962	1.0
133.10139	1.3
137.06004	2.8
149.05977	0.9
153.05476	2.1
167.03406	5.5
167.07127	2.8
175.11977	2.2
176.04741	1.3
179.03491	1.4
195.06461	1.0
199.67679	0.9
243.06706	1.2
270.41769	1.0
271.06052	1.6
285.04242	0.9
285.07565	2.1
299.05789	3.0
301.07172	1.0
303.23245	1.4
313.07214	1.3
314.04208	3.5
315.08902	1.1
317.06693	4.4
321.24203	2.1
322.24533	1.3
329.06519	4.6
331.08243	2.4
342.07401	1.4
344.09024	1.8
345.05954	8.1
359.07712	4.5
360.08386	21.8
375.10764	100.0
537.16315	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42595	1.4
53.03946	2.3
55.01872	2.4
55.05509	13.9
60.08157	4.2
67.05511	19.1
69.07071	8.4
71.07381	3.3
71.61749	1.9
79.05500	17.1
81.03423	6.2
81.07061	15.5
81.59991	1.3
83.04979	4.1
83.08628	21.3
86.09708	28.2
90.93428	1.5
91.05456	13.2
93.07058	16.7
95.04970	21.3
95.08596	17.6
97.06556	3.7
97.10139	3.6
98.98448	1.8
99.04465	2.0
104.10754	3.1
105.07031	14.7
107.04967	9.6
107.08600	14.5
109.06538	1.8
109.10171	4.3
111.08118	3.0
117.07005	4.0
119.08603	13.0
121.06504	3.3
121.10177	8.8
123.08057	3.8
125.00014	19.7
125.09641	2.9
129.07048	2.7
131.08586	6.2
133.10132	9.3
135.08063	2.0
135.11685	17.4
137.09662	1.4
141.07001	1.5
141.72763	1.5
143.08629	1.9
145.06534	1.5
145.10129	14.9
147.08099	1.5
147.11700	5.0
149.09633	12.7
151.11263	1.8
155.08588	2.6
156.96928	1.5
159.11703	4.7
161.09558	1.4
161.13293	2.1
163.11194	34.8
165.12766	2.4
167.05428	1.6
169.10219	1.4
173.09641	3.1
173.13304	2.5
177.12846	1.7
181.12238	3.8
183.11642	1.5
184.07350	100.0
189.11217	5.5
189.12773	1.9
191.10713	2.1
197.13129	1.7
209.89294	1.5
219.17265	1.5
223.13281	19.2
227.12804	62.2
229.19522	1.8
239.18042	4.4
257.19089	6.7
275.20074	67.3
276.20560	1.4
293.21115	69.3
294.21487	6.2
299.06165	2.2
418.41797	1.4
536.36761	3.7
545.51721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93271	0.1
54.76128	0.2
55.05509	0.6
56.05044	0.4
57.03434	0.2
58.06354	0.3
58.06631	0.5
60.08166	6.9
60.08474	0.4
67.05497	0.5
69.07059	0.5
69.95702	1.1
71.07379	3.4
79.05488	0.4
81.07045	0.5
83.05019	0.2
83.08624	0.4
86.09708	29.8
91.05463	0.2
93.07056	0.5
95.04974	0.3
95.08617	0.6
97.10150	0.3
98.21460	0.3
98.64193	0.2
98.98469	2.9
104.10751	3.2
107.08731	0.2
109.10166	0.4
114.97952	0.2
116.99474	0.2
125.00010	21.0
136.65067	0.2
143.01033	0.3
171.20193	0.2
184.07347	100.0
185.07663	0.4
200.84526	0.2
211.86189	0.2
218.18793	0.2
258.11105	0.2
293.21106	0.3
294.21344	0.2
299.06033	0.3
518.36157	1.1
536.37164	3.9
537.37811	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	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09618	0.1
53.13312	0.1
55.05508	0.3
56.05029	0.5
58.06633	0.4
59.07396	0.1
59.45824	0.1
60.08161	5.4
67.05508	1.1
69.07075	0.2
70.22054	0.1
70.73668	0.4
71.07370	2.6
79.05457	0.3
81.07056	0.7
86.09704	28.5
91.05840	0.2
93.07045	0.3
95.08612	0.4
98.98460	2.5
104.10744	2.7
107.08545	0.1
119.08596	0.1
121.10105	0.2
125.00001	19.4
143.01044	0.5
166.02641	0.2
167.05571	0.2
167.16649	0.1
184.07335	100.0
185.07762	0.1
205.82669	0.1
237.92056	0.1
299.06134	0.5
351.25098	0.4
500.31717	1.0
511.76828	0.1
518.32440	8.3
519.32892	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	536.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.8
57.07088	3.4
62.75884	3.0
64.02666	3.3
65.96625	3.0
67.05509	20.4
69.03415	9.8
69.07077	24.3
70.06568	10.9
71.04996	3.5
71.60017	5.3
73.03316	3.0
73.04145	2.8
79.05495	12.6
81.03412	9.0
81.07047	48.7
83.04943	3.4
83.08617	3.3
85.02911	11.1
91.05439	8.8
93.07043	33.0
95.04964	7.9
95.08613	70.1
97.02870	7.9
97.06513	9.3
97.10122	3.5
105.07043	17.7
107.04947	4.2
107.08589	29.5
109.02903	4.3
109.06564	5.1
109.10160	49.6
117.07005	4.3
119.08577	24.1
121.10151	30.5
123.08001	4.9
123.11708	23.5
127.03917	5.4
131.08560	4.9
133.10118	16.5
135.11699	20.4
137.06013	18.3
137.09644	9.3
145.10118	9.0
147.04408	6.0
147.11693	11.3
149.09601	5.0
159.11664	7.5
161.09644	9.5
161.13275	5.3
163.11194	8.0
165.09183	4.0
167.05579	13.6
167.06973	6.6
175.11948	5.4
175.14810	6.9
179.10765	4.9
191.10655	3.8
203.06981	4.3
207.13710	4.4
242.78423	3.8
267.21133	5.4
285.22168	8.1
299.06299	22.8
303.23227	46.9
321.24222	100.0
339.25415	31.6
344.97641	4.6
357.26315	15.6
375.10559	12.8
456.54706	3.9
517.99799	3.6
536.20636	6.3
537.17163	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	536.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14437	1.0
55.05513	4.6
57.03423	1.3
58.99593	12.2
66.94037	1.2
67.05511	4.1
69.03423	2.5
69.07096	1.8
70.06583	1.1
71.04975	2.5
71.05304	1.3
76.02232	76.9
76.03996	3.0
79.05514	5.2
80.05009	1.1
80.72562	0.9
81.03428	18.7
81.07058	6.1
83.04976	6.3
83.06107	1.7
83.08613	5.9
84.04505	18.5
84.04961	1.6
85.02914	1.8
86.99072	2.3
88.02235	1.3
91.05489	4.6
93.07063	3.4
95.04961	6.2
95.08621	1.1
97.02922	1.5
97.06533	1.6
105.07038	4.0
107.04967	1.6
107.08591	1.5
111.08073	2.2
113.07255	0.9
115.07618	2.3
116.01686	17.4
119.08599	3.5
129.07011	1.3
130.05023	9.5
131.08589	2.8
133.10164	2.8
137.05933	1.3
142.03275	6.0
144.01151	11.5
147.11697	3.1
149.09613	1.4
157.10173	2.2
162.02209	39.7
170.02754	2.8
175.11221	3.3
177.03239	1.6
179.04869	69.9
187.05396	2.5
193.12279	11.8
199.05403	1.1
211.13313	21.3
211.15256	1.7
215.04749	2.4
233.05933	18.9
245.06009	3.3
256.29105	1.2
290.08142	1.6
299.06088	1.1
308.09125	100.0
332.13663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22795	0.4
55.05511	1.0
56.96567	0.7
57.03445	0.7
57.07838	0.4
61.02939	0.4
65.26991	0.3
67.05502	1.4
69.03423	1.4
69.07078	0.4
69.45912	2.2
69.46330	1.3
70.06592	1.5
71.05016	0.5
73.02908	0.6
79.05499	0.7
81.03426	1.0
81.07078	2.0
83.04991	0.5
85.02898	1.5
85.06525	0.5
91.05483	1.4
93.07038	1.6
95.04953	0.9
95.08605	2.1
97.02879	0.8
97.06531	0.6
98.21479	0.7
103.05456	0.7
105.07040	1.6
107.04964	1.3
107.08614	0.8
109.02874	0.8
109.06530	0.4
109.10153	1.4
114.10261	0.6
117.03450	0.4
119.04887	0.6
119.08588	1.1
121.10150	0.8
122.03603	0.6
123.04417	0.6
123.11749	0.8
126.12798	0.5
127.03946	1.1
131.04941	0.8
131.08582	0.4
133.10161	0.8
135.11685	0.7
137.05995	5.6
137.09590	0.4
138.06317	0.6
139.03908	0.5
145.02847	1.2
145.04974	0.7
147.04408	1.6
147.11702	0.6
151.03938	0.5
151.07576	1.1
159.11691	0.5
161.06018	1.8
163.07571	1.6
167.07036	3.4
173.05898	0.4
175.07581	1.4
175.14806	0.5
177.05437	4.1
177.09084	2.1
180.55389	0.3
181.04965	0.8
183.83015	0.4
185.04237	0.5
193.08603	1.7
203.05342	1.0
203.07036	0.5
211.16972	1.1
211.58287	0.5
227.04034	0.4
242.94308	0.4
259.07895	0.9
269.13666	1.4
287.05524	1.4
289.11661	0.6
289.14865	2.1
289.65060	0.6
311.12741	0.8
331.05042	0.6
349.05548	0.6
373.09137	0.5
431.18933	100.0
432.19540	0.8
517.22601	1.0
535.23468	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	536.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01881	0.7
55.05515	4.6
57.03433	1.1
58.99590	12.8
67.05502	3.3
69.03427	1.7
69.07064	1.9
69.61742	0.7
71.04850	1.8
73.22523	0.8
74.00666	1.2
74.59409	0.8
76.02232	77.7
76.03996	3.2
79.05514	4.6
81.03420	18.4
81.07058	6.2
83.04984	6.9
83.06104	1.1
83.08621	6.7
84.04032	1.6
84.04500	16.6
85.02891	0.9
86.99044	3.2
88.02248	1.0
91.05459	4.9
93.07036	3.5
95.04962	5.4
95.08591	1.9
97.06560	1.4
97.10175	1.4
105.07025	3.2
107.04964	1.7
107.08585	1.7
109.06535	0.9
111.08095	2.4
116.01682	19.8
119.08564	3.7
121.10142	1.8
129.06973	1.6
130.05029	8.5
131.08565	2.6
133.10130	2.4
142.03244	7.1
144.01164	10.0
147.08005	1.3
147.11676	3.5
149.09589	1.2
157.10129	3.1
160.03235	1.1
162.02209	34.8
170.02698	3.8
175.11189	2.5
177.03386	1.0
179.04861	66.0
187.05403	2.6
193.12238	13.6
211.13293	23.5
214.61121	0.8
215.04878	2.8
216.03098	0.9
233.05930	17.8
245.05936	3.1
256.18958	0.8
286.14606	1.9
290.08051	2.2
291.06464	1.8
308.09125	100.0
415.02887	0.9
456.63416	0.9
472.38614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41903	0.3
55.01883	0.3
55.05502	0.5
56.15459	0.3
56.96568	0.5
57.03392	0.4
65.03940	1.2
67.05503	0.6
67.25456	0.3
69.03425	0.9
69.07080	0.6
69.80140	2.1
70.06582	1.1
71.04991	0.4
73.02912	0.4
77.03928	0.4
79.05492	0.4
80.74137	0.3
81.03423	1.7
81.07056	0.8
85.02905	1.3
89.03928	0.4
91.05481	15.7
93.07066	0.7
95.04982	0.8
95.08584	1.0
97.02888	0.5
98.97591	0.4
103.05457	0.8
105.07035	0.8
107.04962	0.5
107.08580	0.6
109.02872	0.8
109.10178	0.6
111.04417	0.5
119.04950	23.7
119.08575	0.6
121.02847	0.6
121.10164	0.5
123.08079	0.4
127.03892	0.3
131.04935	0.7
132.02095	0.8
132.04459	1.5
133.10168	0.4
135.04449	0.5
137.05977	1.2
137.84723	0.4
145.02850	1.5
147.04417	22.2
149.02362	0.7
151.07512	0.5
157.03949	1.4
163.03839	0.4
163.07556	0.4
164.04683	1.1
167.07024	0.9
175.03918	38.9
177.05482	1.0
179.07010	2.3
181.04912	0.6
187.07535	0.5
192.04292	0.7
193.05031	0.5
207.06535	100.0
208.06824	0.5
225.07590	0.7
282.15747	0.6
286.04739	0.9
287.05692	0.5
297.11075	0.4
301.07123	2.3
309.16785	0.6
351.10751	1.1
369.11926	2.5
535.21594	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01866	4.0
55.05514	22.7
56.49852	1.6
57.03421	7.5
57.07076	9.6
60.75646	1.5
61.02913	4.9
65.03947	3.5
67.05508	75.6
69.03429	4.3
69.07076	25.6
69.35172	5.2
69.35593	13.2
71.05006	3.9
71.08629	4.2
71.40491	1.6
79.05498	33.8
80.05822	3.2
81.03428	1.8
81.07063	100.0
82.07384	4.9
83.04971	6.9
83.08618	18.8
85.02113	1.6
85.02911	8.2
85.06519	5.1
85.10171	2.3
91.03948	1.8
91.05490	22.6
93.07057	34.3
95.04974	6.9
95.08613	73.4
97.02908	4.4
97.06531	9.1
97.10167	16.6
98.10492	2.4
99.04424	2.4
99.08115	3.4
105.07034	19.3
106.07349	2.0
107.04946	2.5
107.08604	21.4
108.08918	2.6
109.06515	4.0
109.10165	36.9
111.04427	5.3
111.08076	2.6
111.11729	4.6
113.09589	2.2
117.07008	5.2
119.08585	18.6
120.08932	2.6
121.06512	2.0
121.10150	24.8
122.77406	2.0
123.08070	4.7
123.11707	17.2
125.09618	7.5
126.09969	2.8
127.03907	2.0
129.06963	2.9
131.08591	9.2
133.10109	17.8
135.11685	13.5
137.09578	4.0
137.13251	7.9
139.11171	3.2
141.12753	2.6
145.10109	4.5
146.10443	2.2
147.07993	4.0
147.11685	11.7
148.12059	2.2
149.09543	3.0
149.13278	11.4
150.42084	2.0
151.14842	5.1
153.09090	2.3
153.12701	1.9
155.14340	2.8
159.11728	2.0
161.09639	1.8
161.13281	15.8
163.11229	4.0
163.14819	8.7
164.11592	1.7
165.09143	2.7
165.16400	8.5
171.11681	4.5
172.12061	2.4
175.14867	9.1
179.17947	6.8
189.11269	3.9
189.16370	5.4
190.11519	2.2
190.13136	2.4
191.10655	2.3
207.13802	2.3
208.14146	2.7
227.12759	1.8
227.20049	2.6
245.22673	60.1
263.23724	82.3
269.88208	1.8
273.18378	5.2
274.18820	9.4
291.19586	15.2
292.19888	25.1
303.23196	1.9
305.24695	1.9
322.92615	2.2
329.84201	1.7
337.27362	35.7
353.24847	2.6
355.28662	4.8
371.25854	6.2
389.26813	5.1
407.27890	5.4
412.89606	1.8
425.28864	3.9
467.53857	2.2
493.98798	2.0
551.69678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.6
57.03420	7.3
57.07082	17.5
60.08150	3.5
61.02904	4.8
67.05170	5.0
67.05507	66.6
69.07066	27.7
70.73917	6.2
71.07365	2.9
71.08603	5.4
75.85724	3.1
79.05505	20.5
81.06573	6.2
81.07054	96.0
82.95982	3.3
83.08624	20.4
85.02909	4.4
85.10193	3.4
86.09701	26.6
89.06031	3.2
90.06309	2.9
91.05485	16.2
93.07043	24.3
95.08607	82.1
97.06526	9.1
97.10169	12.1
99.08059	7.2
104.10738	37.7
105.07037	12.0
107.08580	16.6
109.10152	38.0
111.08048	6.0
119.08533	15.4
121.10130	20.7
123.11713	24.5
125.00024	9.0
125.09663	2.8
133.10078	17.3
135.11679	12.0
137.09587	3.3
137.13243	9.4
141.12755	3.7
147.11671	10.1
149.13237	9.8
151.14795	4.9
152.35091	3.2
157.76120	3.3
161.13252	14.3
163.14828	12.0
165.16379	9.6
173.62434	3.4
175.14824	10.0
179.17941	7.7
184.07336	28.1
189.16444	5.5
217.19527	3.8
240.09793	3.8
245.22675	60.3
263.23700	100.0
302.24594	2.9
337.27353	60.1
339.28955	4.8
355.28317	10.1
480.97147	3.3
482.07758	3.5
504.34485	3.7
517.36243	4.9
522.80231	3.2
534.35272	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	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01288	0.3
55.05508	0.7
56.05034	0.7
56.96544	0.4
58.06599	0.4
60.08169	5.5
67.05491	1.2
69.03420	0.5
69.07071	0.8
69.83486	1.7
70.06572	0.4
71.07374	2.5
79.05490	1.3
81.07068	2.5
85.02914	0.7
86.09708	26.4
91.05486	0.7
93.07035	1.6
95.08603	1.2
97.02870	0.4
98.98441	2.6
104.10747	2.7
105.07006	0.9
107.08603	0.8
109.01121	0.4
109.10136	1.0
111.16660	0.3
115.03913	0.7
116.98119	0.4
119.08593	0.6
121.10147	2.5
123.11668	0.4
125.00011	18.5
133.04968	0.5
135.11705	0.4
137.05867	0.4
145.04932	0.4
147.11652	0.4
149.13286	1.2
184.07344	100.0
185.07761	0.7
205.19522	1.8
295.09970	0.4
297.96091	0.4
299.82819	0.4
319.22818	0.8
319.26523	0.4
331.56735	0.5
349.23672	0.8
498.29749	1.1
516.30823	5.9
534.26367	1.1
534.33929	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.1
56.05037	0.5
58.06633	0.4
59.07391	0.2
60.08165	6.5
67.05502	0.2
69.07069	0.2
70.06576	0.1
70.13634	0.4
71.07377	2.8
71.08626	0.3
75.41265	0.1
79.05486	0.2
81.07056	0.3
83.04964	0.1
86.09707	29.4
91.05521	0.1
93.07028	0.2
95.04962	0.1
95.08614	0.2
96.97470	0.1
98.98465	2.7
104.10745	4.0
105.07034	0.1
107.04910	0.1
107.08572	0.1
109.10148	0.1
119.08575	0.1
122.06020	0.1
125.00007	20.4
135.11761	0.2
143.01071	0.4
152.01904	0.1
166.02725	0.2
179.14326	0.2
184.07344	100.0
185.07710	0.4
258.11063	0.3
322.30106	0.1
351.25552	0.2
372.25864	0.1
450.28308	0.1
516.30780	1.0
534.31927	9.1
535.32227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69183	1.0
55.05495	1.5
56.34135	1.0
57.53122	1.2
67.05496	2.5
69.03421	1.9
69.07077	1.6
71.59858	2.4
79.05486	1.8
81.03407	1.4
81.07045	2.8
83.08631	1.4
83.63794	1.1
85.02892	2.8
91.05479	3.3
92.93194	1.1
93.07039	2.1
95.04965	1.4
95.08603	2.7
97.02875	2.0
105.07039	2.4
107.08563	1.7
109.06525	1.2
109.10142	1.7
119.08561	1.4
121.10131	2.1
131.08507	1.5
137.06021	2.4
137.62024	1.0
147.04430	1.9
151.07510	1.2
161.09589	1.0
167.07071	2.0
175.14894	1.5
177.05470	1.4
221.19020	1.7
239.19942	1.5
249.48973	1.3
256.42093	1.3
335.09653	1.3
345.80661	1.3
445.20505	25.2
494.90680	1.1
533.25604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.05020	0.4
57.03435	0.1
57.77227	0.1
58.06629	0.4
59.07378	0.2
60.08163	6.2
67.05493	0.3
69.03430	0.1
69.07072	0.1
70.06587	0.2
70.31120	0.3
71.07372	2.8
79.05489	0.2
80.97411	0.1
81.07053	0.3
86.09704	28.4
91.05485	0.1
93.07029	0.3
95.08614	0.3
97.02889	0.1
98.98463	2.4
98.99112	0.1
104.10748	3.4
105.07047	0.3
107.08620	0.2
113.12164	0.1
119.08556	0.1
121.10195	0.2
125.00003	19.8
128.48579	0.1
131.08536	0.1
143.01024	0.5
145.10036	0.1
184.07338	100.0
185.07715	0.3
197.53983	0.1
203.17891	0.2
221.15459	0.1
258.11053	0.3
275.19955	0.1
289.12643	0.1
433.17981	0.1
435.35156	0.1
444.70081	0.1
514.29285	1.3
532.30365	7.9
533.30737	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	532.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25928	0.2
55.01857	0.5
55.05496	0.9
56.05029	0.5
57.03425	0.6
58.06604	0.5
60.07884	0.5
60.08162	6.2
61.02912	0.9
67.05501	1.5
69.03417	0.8
69.07057	0.8
71.04975	0.3
71.07375	2.7
71.58009	0.4
73.02914	0.5
79.05468	1.2
81.03423	0.5
81.07052	2.9
83.04988	0.4
83.08614	0.6
85.02902	1.3
86.09704	30.0
87.04482	0.4
87.09215	0.2
91.03928	0.5
91.05473	1.1
93.07030	0.8
95.04974	0.4
95.08604	1.4
97.02899	1.4
97.06577	0.5
97.10176	0.5
98.98463	3.0
99.68414	0.3
104.10739	3.7
105.07020	1.7
107.04876	0.4
107.08609	0.8
109.06541	0.4
109.10148	0.7
111.04435	0.3
111.08064	0.4
113.09637	0.3
115.03910	0.4
117.07056	0.3
119.08575	1.2
121.10116	0.5
123.11710	0.3
125.00001	19.0
125.09586	0.4
129.06990	0.3
131.08580	0.7
133.04932	0.6
133.10118	0.8
143.01038	0.7
143.08521	0.4
147.11690	0.9
149.09529	0.4
150.07564	0.3
150.85602	0.3
151.11041	0.3
157.10184	0.3
163.11174	0.5
184.07338	100.0
201.10776	0.3
203.17943	1.9
207.13815	0.3
259.47000	0.3
273.18362	0.6
277.21692	0.9
278.21960	1.0
291.19632	2.5
295.23001	0.3
296.23120	0.4
352.25726	0.5
369.26407	0.4
370.26682	1.0
514.29309	1.1
532.30267	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	531.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01855	5.5
55.05510	17.8
57.03428	3.1
57.07066	3.1
61.86208	1.7
65.03915	3.3
67.05505	72.6
69.03422	3.4
69.07065	19.6
69.22787	1.9
69.34377	5.7
69.34798	12.6
71.04975	5.6
73.06545	2.2
79.05063	2.9
79.05489	41.1
81.03387	8.4
81.07057	72.9
83.04957	7.7
83.08616	8.7
85.06519	7.0
87.04449	4.2
91.05480	47.2
93.07047	45.3
95.04987	11.7
95.08051	2.3
95.08605	31.6
97.06534	4.6
97.10172	3.0
97.36072	1.8
99.04449	3.0
99.08086	2.4
105.07030	49.9
107.04956	2.2
107.08592	41.4
109.06488	5.7
109.10156	60.3
113.05974	2.6
117.06999	3.6
119.08580	14.5
121.10153	17.6
123.08034	2.2
123.11716	12.9
127.07547	3.0
131.08575	9.5
133.10130	64.6
135.11697	11.3
145.10080	7.0
147.04379	4.3
147.11633	5.9
149.13225	8.5
151.11182	38.6
157.10037	2.0
159.11670	6.5
161.13268	3.7
164.82213	1.6
169.12224	10.5
171.11664	2.0
173.13243	2.6
175.14784	1.9
179.10721	2.4
187.14851	2.4
193.12234	3.6
215.12700	4.9
243.21053	3.7
253.14352	100.0
261.22107	20.3
271.15427	2.5
317.24741	5.0
319.00119	1.8
439.31906	5.8
457.32895	5.9
513.35443	13.0
531.36987	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.9
53.03926	3.7
53.77925	1.7
55.01870	6.6
55.02119	1.7
55.05517	21.5
57.03433	3.6
57.07066	4.0
65.03938	2.6
66.48811	1.8
67.05510	89.8
69.03439	4.3
69.07076	22.2
71.04987	6.4
77.03904	2.2
79.05064	3.5
79.05499	56.1
79.05956	3.0
81.03405	6.6
81.07066	76.4
83.04973	7.5
83.08621	8.1
85.06531	6.9
87.04466	3.3
91.05492	55.1
93.07053	51.8
95.04984	10.7
95.08614	39.1
97.06532	6.4
97.10185	3.3
99.04466	2.1
99.08063	2.5
105.07040	49.4
107.08603	42.9
109.06499	7.0
109.10165	67.4
111.08086	3.1
113.06029	4.5
115.89244	1.8
117.07003	7.5
119.08599	14.9
121.10164	17.8
123.11687	15.0
125.08656	1.7
125.09609	2.0
127.07553	3.2
131.08578	14.9
133.10141	79.1
135.11700	13.3
137.13257	2.7
143.08517	2.8
145.10147	10.6
147.11690	6.3
149.09604	2.8
149.13261	6.6
151.11189	43.2
159.11661	6.7
161.09572	3.2
161.13217	2.9
163.14861	1.9
165.00267	1.8
169.12300	10.5
173.13258	7.2
175.14789	1.8
179.10594	2.7
187.14743	1.8
189.16475	2.2
193.12277	2.8
215.12717	2.6
243.20956	5.0
253.14371	100.0
261.22183	23.4
271.15475	2.3
317.24628	4.2
382.65701	2.1
421.30984	2.6
423.62778	2.2
439.31729	5.9
457.33209	3.6
472.21100	2.2
513.35956	17.0
531.36920	92.3
532.36957	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	530.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01861	1.6
55.05266	0.7
55.05515	12.1
56.96547	0.8
57.03437	11.2
58.90006	0.7
59.05005	30.1
61.02916	2.7
63.46891	0.7
66.44241	0.6
67.05508	48.9
69.03432	2.3
69.07062	3.0
70.06565	1.3
70.19170	3.3
71.01354	0.7
71.04990	5.3
73.02919	1.8
73.88424	0.9
79.05502	4.2
81.03434	4.7
81.07063	9.6
83.04967	2.2
83.08617	6.9
85.02898	4.5
85.06521	1.4
87.04472	60.8
91.03944	1.4
91.05473	5.3
93.07050	3.6
94.82453	0.7
95.04967	1.8
95.08617	4.3
97.02911	1.7
97.06503	0.9
97.10188	5.0
97.34432	0.6
99.04456	2.6
102.60878	0.6
103.03939	2.7
105.07013	1.0
107.04951	1.7
107.08573	3.0
109.02865	1.1
109.10162	55.0
110.10473	0.9
111.08080	2.1
115.03958	0.6
117.07015	1.0
119.08607	4.8
121.10142	1.1
125.09625	5.8
127.03911	0.9
137.09656	3.3
143.10643	1.1
145.10077	1.0
147.08130	0.8
155.10648	4.4
160.21954	0.6
161.05946	0.9
163.11153	1.2
173.11748	37.8
175.07695	0.9
187.07568	0.7
191.10696	1.1
193.12279	1.5
201.11179	1.1
217.14314	1.9
229.14362	100.0
242.05849	0.7
257.13870	8.0
333.19141	5.4
361.02295	1.2
397.75058	0.7
477.23502	4.7
495.24280	1.2
529.68158	0.7
531.16528	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01868	2.0
55.05509	14.4
57.03436	12.3
59.05002	33.6
61.02930	3.2
62.46451	0.5
65.03922	0.8
66.42860	0.5
67.05505	53.6
68.05835	0.6
69.03408	2.5
69.07063	4.0
70.04310	3.3
70.06579	1.9
70.89574	0.6
71.01365	0.7
71.04994	5.1
73.02915	1.5
79.05494	6.3
81.03409	4.6
81.07060	10.3
83.04962	1.6
83.08155	0.5
83.08623	8.5
84.04501	0.7
85.02909	5.0
85.06535	1.8
87.04470	68.4
87.51385	0.5
91.03941	1.6
91.05479	4.8
93.07045	4.1
95.04973	2.2
95.08608	5.1
97.02900	4.4
97.06519	1.7
97.10170	7.9
99.04459	3.7
103.03951	2.5
105.07014	0.9
107.04945	1.5
107.08602	4.6
109.02899	1.0
109.06499	1.1
109.10157	59.2
111.04430	1.2
111.08100	2.7
113.05996	0.7
115.03953	0.6
117.07035	0.7
119.08565	5.0
121.10128	1.7
123.04392	0.9
123.08058	0.6
125.09640	7.7
127.03932	1.2
135.11652	0.9
137.05995	1.9
137.09610	4.3
139.03914	0.7
143.10606	0.9
145.02902	1.0
145.10181	1.4
147.04375	2.1
149.06000	0.6
155.10674	5.5
163.11208	2.0
167.07019	2.9
168.07343	1.2
169.07556	0.7
173.04446	0.7
173.11745	43.0
177.05487	2.7
178.02615	2.4
193.04974	20.6
193.12248	1.7
199.13347	0.7
209.07997	1.3
209.11711	0.7
210.08487	1.1
211.08449	0.7
217.12514	0.6
217.14372	2.5
229.14357	100.0
230.14693	1.3
257.13867	7.6
267.15860	1.6
288.51566	0.5
289.14902	0.8
289.65036	0.7
315.17926	1.8
333.19135	6.3
369.17960	0.6
419.16479	0.6
438.52628	0.6
477.23242	4.2
483.57132	0.6
495.24429	1.5
530.15784	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
55.05513	10.7
57.03437	10.8
59.04701	1.4
59.05003	33.1
61.02914	3.2
67.05508	46.0
69.03437	1.8
69.07056	2.7
70.06596	2.8
71.04975	3.4
71.59605	1.1
71.59975	0.8
72.08163	0.9
73.02903	1.0
74.77966	0.8
74.85136	0.7
79.05482	5.2
81.03401	4.0
81.07071	9.2
83.04974	2.1
83.08623	5.4
85.02913	6.0
85.06519	0.9
87.04472	59.0
91.03965	1.2
91.05491	4.3
93.07031	3.2
95.04951	2.0
95.08607	4.8
97.02882	1.4
97.06493	1.3
97.10155	5.5
99.04459	3.7
100.51232	0.7
103.03922	1.1
105.07043	1.2
105.13716	0.7
107.04958	1.4
107.08591	2.7
109.02844	1.3
109.10164	55.8
111.04437	0.8
111.08076	2.4
113.06095	0.7
119.08595	4.6
121.06490	0.8
121.10142	1.0
123.08023	1.0
125.05914	0.8
125.09634	5.3
127.03917	1.3
127.11191	1.1
131.08612	0.9
135.11688	1.1
137.05975	1.4
137.09595	3.5
143.10728	0.9
148.89618	1.0
155.10663	4.9
157.10048	0.7
161.06012	1.6
163.03783	0.9
163.07556	1.1
167.06990	1.4
173.11749	35.4
177.05450	1.2
177.09137	0.9
181.04979	1.1
193.12204	2.0
199.25040	0.9
217.14333	2.0
229.14363	100.0
230.14716	2.3
248.74403	0.8
257.13867	7.3
333.19119	6.6
335.09860	0.9
341.47375	0.8
343.15488	1.2
363.08807	1.0
370.33957	0.9
390.09961	1.4
407.33139	0.9
417.12173	1.0
428.13770	1.0
477.23297	4.3
495.24384	1.9
530.17218	3.1
531.15881	2.7
544.61932	1.1
553.87616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18136	1.2
53.03955	5.1
55.01883	1.9
55.05511	11.5
57.03432	3.9
57.07082	3.8
65.03950	3.2
67.05510	47.9
69.07066	11.6
70.06577	2.1
71.04998	3.1
71.59128	1.9
79.05497	39.1
81.03426	9.0
81.07060	52.3
83.04530	1.3
83.04990	3.2
83.08616	9.1
85.06556	2.2
86.46129	1.4
87.04473	1.6
88.07638	2.6
91.05486	21.7
93.07048	39.8
95.04941	8.6
95.08613	28.7
95.22120	1.3
97.06544	6.0
97.10175	3.3
99.08160	2.0
105.07030	17.2
107.05024	1.4
107.08595	23.4
107.43425	1.5
109.06530	3.3
109.10160	8.4
111.08104	4.3
112.99150	1.2
117.07019	8.1
119.04910	2.0
119.08582	12.4
121.10145	17.2
123.11697	2.0
125.09635	1.9
129.07007	2.6
131.08583	11.8
133.10144	9.4
135.11684	7.5
143.08482	1.9
145.10127	7.8
147.04451	4.7
147.11725	5.7
149.13269	15.4
151.26352	1.4
151.40477	1.5
155.08600	1.6
157.10161	4.5
159.11699	9.7
161.13272	2.8
171.11707	2.3
173.13246	4.0
175.14803	1.9
177.12762	2.2
185.13339	1.9
187.14886	1.7
193.12283	4.1
195.13855	4.4
199.14972	1.5
201.16386	1.4
256.26370	17.8
261.22299	3.6
263.23593	1.5
354.04633	1.4
437.34213	2.5
473.36423	1.6
511.37433	2.6
529.38940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.05514	12.6
57.03432	3.1
57.07079	1.8
64.14114	1.5
66.92888	1.4
67.05508	33.3
67.72364	1.4
69.07079	13.4
71.04985	2.6
71.60347	2.2
79.05496	24.2
81.03431	6.4
81.07062	39.9
83.04993	3.0
83.08625	6.4
85.80589	1.6
91.05492	19.1
93.07056	34.5
95.04998	7.7
95.08615	23.6
97.06535	5.1
105.07037	13.0
107.08607	15.0
109.10154	8.0
111.08111	2.9
117.07037	4.9
119.08566	9.6
119.60316	1.4
121.10159	13.6
123.11680	1.9
129.07031	3.3
131.08586	11.7
132.98438	1.6
133.10159	10.0
135.08093	1.6
135.11707	8.7
141.06995	2.3
143.08661	2.5
145.10139	7.2
147.11700	4.9
149.13269	11.1
157.10123	4.4
159.11717	7.5
161.13274	2.8
171.11719	2.0
173.13368	1.8
175.14877	2.7
177.12846	2.8
183.11760	2.0
195.13872	3.5
199.14865	2.7
211.14667	1.7
211.61131	1.9
261.22177	2.7
356.95694	1.7
401.84225	1.9
437.34256	5.3
450.10089	1.5
455.36011	1.9
511.38120	3.6
529.38928	100.0
530.39160	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	529.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05507	1.4
57.03437	0.9
61.02921	0.6
62.23384	0.4
67.05502	2.7
68.05835	0.5
69.03429	1.1
69.07067	2.1
70.06586	1.0
70.59468	1.4
71.08622	0.9
73.02912	0.4
74.27563	0.4
79.05499	1.4
81.03420	1.5
81.07047	3.0
83.04984	0.9
83.08606	0.8
85.02908	1.7
91.03947	0.8
91.05492	2.3
93.07044	1.7
95.04967	1.4
95.08583	1.9
97.02921	1.4
97.06551	1.4
97.10189	0.9
98.21558	0.4
100.11250	0.4
105.07043	1.7
107.04979	1.1
107.08604	1.6
109.02888	0.8
109.06522	1.0
109.10162	1.4
111.04506	0.6
111.11711	0.6
113.95253	0.5
114.10332	0.5
115.03965	0.4
119.08598	1.1
121.06506	0.5
121.10174	1.4
123.04446	0.5
125.09640	1.0
127.03951	1.0
129.05521	0.6
129.07036	0.7
129.12717	0.8
131.04869	0.5
131.08551	0.9
133.10144	0.9
135.11667	0.6
137.06023	0.7
143.08594	0.9
145.10162	1.1
147.08090	0.4
147.11763	0.7
149.09615	0.9
159.11751	0.6
161.09764	0.6
163.11224	1.0
165.09151	0.5
166.60880	0.5
169.10172	0.4
177.05612	0.8
185.08093	0.5
203.05258	8.0
203.07066	0.6
203.10674	0.5
207.06445	0.4
217.18094	0.5
231.10229	0.6
235.16904	0.5
274.18994	0.7
275.12848	1.1
275.20050	1.5
284.57425	0.4
293.21140	1.7
333.16922	0.8
347.22260	0.5
348.22607	0.8
349.23065	2.0
349.27206	5.0
367.24637	2.0
499.32477	1.0
529.33514	100.0
530.34161	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
54.33043	1.2
55.01863	5.1
55.05510	10.2
57.03438	6.4
57.07081	1.8
61.02925	10.2
65.14705	1.2
67.05507	19.7
69.03429	8.5
69.07068	9.8
69.35756	12.5
70.06580	1.8
73.02912	4.7
79.05501	16.7
81.03433	4.2
81.07060	23.1
83.04990	6.4
83.08630	10.1
85.02904	9.2
85.06522	1.3
87.04446	1.2
87.65905	1.2
88.52116	1.3
91.03948	4.3
91.05476	16.8
93.07041	18.2
95.04967	6.7
95.08613	13.3
97.02887	9.1
97.06541	3.7
97.10197	2.0
98.61680	1.3
99.04466	1.5
101.02392	2.4
103.03941	1.5
105.07027	18.2
107.04972	7.5
107.08595	13.8
109.02925	2.3
109.06526	6.4
109.10177	7.4
110.61971	1.1
111.08074	3.6
117.07014	6.3
119.08583	14.7
121.06503	5.4
121.10152	7.9
121.62027	1.2
123.08068	4.2
123.11735	2.0
125.06007	2.3
125.09611	2.9
127.03922	4.3
129.05467	1.7
129.06984	2.9
131.08556	9.9
133.06386	1.5
133.10132	15.1
135.08043	3.5
135.11673	5.2
137.06015	1.6
139.11206	1.6
143.08591	1.7
145.06482	2.0
145.10123	9.3
147.08028	3.5
147.11693	7.8
149.09608	9.0
151.11177	3.1
152.34502	1.4
157.10075	2.5
159.11748	6.5
161.09637	1.4
161.13321	2.1
163.11145	9.8
165.12743	1.7
169.10185	1.7
171.11639	2.0
173.09628	1.8
173.11916	1.3
173.13304	5.4
175.11189	3.2
183.11671	1.5
187.11234	1.8
189.12775	1.3
191.14290	2.3
193.12230	1.8
217.47227	1.4
219.13760	2.3
229.14272	1.4
229.19504	3.2
239.17943	3.4
247.20587	3.7
257.18930	7.1
272.81540	1.2
275.20065	55.0
276.20435	1.8
293.20987	7.5
349.23749	100.0
350.24109	2.3
367.12427	1.6
367.24741	12.2
407.50970	1.4
511.28436	1.8
529.28784	1.8
543.02478	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01875	9.2
55.05520	23.4
57.03428	15.8
61.02917	16.0
67.05514	33.8
67.99232	3.1
69.03435	19.9
69.07074	17.2
69.31670	35.5
71.05001	5.9
71.08623	16.4
73.02922	6.5
79.05494	22.6
81.03423	28.6
81.07053	37.2
83.04974	10.9
83.08604	13.5
85.02904	15.0
91.03992	8.4
91.05488	25.1
93.07051	22.9
95.01347	5.8
95.04965	13.6
95.08604	14.1
97.02892	14.4
97.06530	8.6
97.10157	10.6
99.04491	7.4
99.08125	9.3
101.02365	9.6
105.07050	23.3
107.04945	9.0
107.08595	13.9
109.02899	8.9
109.06552	8.6
109.10204	8.8
111.04459	5.4
111.08096	3.8
117.07008	6.6
118.94267	3.9
119.08606	9.5
121.06497	10.6
121.10135	9.6
123.11640	4.1
125.09645	14.0
126.51659	3.7
127.03893	12.2
129.05457	3.5
129.06993	5.2
131.08597	6.0
133.10124	19.0
135.11662	3.8
143.08548	4.1
145.04913	6.2
145.10132	8.6
147.11681	9.2
149.09584	5.8
157.10107	4.8
159.11742	11.4
160.09470	3.5
177.12788	5.2
186.40031	3.6
189.11285	7.0
193.12180	6.0
205.12248	3.8
211.13235	7.4
252.86778	3.6
257.18994	4.1
267.15958	4.7
269.17661	3.8
275.20068	42.7
276.33215	4.5
293.17841	5.8
293.21097	100.0
294.21417	4.3
319.15729	3.6
349.23770	80.0
354.86185	4.2
367.24835	26.5
511.29016	4.7
529.20496	6.6
529.29980	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2051
Annotation	Physalin Y
Peak:m/z	Relative Intensity
53.03940	0.9
55.01862	1.5
55.05508	1.6
56.96552	0.8
57.03435	0.9
61.02900	3.3
67.05508	4.0
68.38802	0.7
69.03439	3.8
69.07084	1.5
70.06583	1.7
71.04986	0.9
71.57414	1.0
73.02917	1.0
79.05486	3.7
81.03395	2.3
81.07063	7.1
83.04949	0.8
83.08618	1.7
85.02929	4.1
86.92051	0.6
87.04453	0.7
88.20134	0.9
88.70677	0.7
91.03921	0.8
91.05468	4.0
93.07026	3.3
95.04969	1.4
95.08610	3.5
97.02879	3.0
97.06505	1.9
97.10133	0.8
105.07047	4.0
107.04922	1.2
107.08588	2.6
109.02846	0.9
109.06508	1.3
109.10149	2.5
117.07027	0.9
119.08590	3.0
121.06520	0.9
121.10119	2.2
123.11742	1.3
127.03903	2.2
129.06998	0.9
131.08562	1.8
133.10127	3.3
135.11728	1.8
137.06047	1.2
139.99918	0.8
143.00023	0.7
145.10123	2.4
147.11685	2.7
149.09674	1.0
159.04178	1.5
159.11668	1.0
161.09566	0.9
163.11215	1.1
163.14746	0.8
165.12788	0.9
167.07002	0.9
177.05453	1.3
177.12675	1.1
185.04132	0.7
229.73398	0.8
275.20111	7.5
285.06363	0.9
293.21313	1.0
300.08279	0.8
349.23737	3.1
367.24738	4.6
370.12457	2.4
385.14996	0.9
388.13443	0.8
511.28754	0.9
529.20306	100.0
529.26331	7.3
530.20874	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.6
57.06827	2.3
57.07078	30.9
67.05497	9.2
69.07063	5.5
71.08273	3.2
71.08627	29.2
73.06561	8.4
79.05495	4.6
81.03398	5.0
81.07048	9.2
83.08613	6.8
85.10176	28.4
87.04447	6.6
89.06030	100.0
91.05463	5.0
93.07044	6.5
95.04951	4.0
95.08603	3.9
97.10159	3.3
99.11777	2.5
105.07034	3.6
107.07047	4.7
107.08610	4.1
108.08949	2.7
109.10160	4.4
110.44633	2.2
112.06810	2.4
117.09119	4.6
130.08626	5.0
131.08554	4.3
133.07645	3.6
133.08603	50.9
133.10149	3.4
141.16412	5.6
145.10098	3.3
145.87184	2.1
147.04370	3.7
148.19305	2.1
169.51726	2.1
177.11232	27.3
182.01459	2.3
185.18959	3.9
192.05006	2.5
193.12215	3.4
198.97502	3.6
221.13818	4.6
229.21623	16.3
249.24673	2.2
273.24240	9.3
283.17380	3.7
291.99588	2.8
311.25562	2.8
327.20062	4.3
331.06906	2.4
371.22479	11.4
454.33780	2.6
511.38220	18.9
528.37506	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	528.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41350	0.8
55.01866	1.1
55.05510	8.1
57.03440	6.4
57.07076	10.9
59.04992	4.9
61.02919	1.3
67.05505	2.7
69.03432	16.3
69.07070	51.8
69.28443	0.8
69.28777	8.4
71.04996	5.7
71.08636	8.3
73.02914	1.1
73.06556	10.2
75.04491	1.0
79.05487	2.3
79.57037	0.7
81.03411	3.1
81.07039	1.7
83.08610	2.5
85.02904	14.8
85.10184	4.9
87.04472	11.9
89.06038	27.5
91.05469	2.8
93.07030	1.0
93.27536	0.7
95.04981	1.4
95.08620	1.5
97.02892	15.4
99.04460	0.8
99.11736	1.8
105.07034	1.1
107.08625	1.2
109.02851	0.8
109.10148	1.4
111.11724	72.7
112.12114	0.9
114.34978	0.8
115.03931	12.8
119.08527	1.1
121.10158	0.8
123.04385	0.9
123.76583	0.7
127.03896	1.7
129.12759	100.0
133.04973	15.1
137.05972	0.8
145.04962	3.0
157.10178	0.7
157.12309	1.0
169.05002	1.3
170.15450	3.2
199.16943	25.2
217.17996	42.1
234.44417	0.8
293.01102	0.7
295.10373	0.8
348.25922	2.1
349.25879	1.1
351.00378	0.7
356.85736	0.7
372.42053	0.8
448.21347	0.9
528.32483	17.9
529.33441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78885	1.7
53.03954	9.5
55.01867	14.7
55.05513	21.4
55.24677	2.2
56.81190	1.7
57.03443	23.2
61.02927	16.0
65.03927	1.9
65.30624	2.0
67.05507	35.0
67.27033	1.9
69.03435	28.9
69.07069	23.1
71.01378	3.1
71.04999	8.2
71.59940	2.1
73.02916	9.0
79.05502	40.5
80.29813	2.1
81.03429	29.9
81.07061	55.5
83.04980	12.3
83.08625	13.3
85.02905	22.0
85.06554	4.5
87.04465	4.2
88.64702	1.8
91.03978	8.7
91.05483	43.8
92.03291	1.8
93.07049	38.9
95.04975	22.6
95.08620	22.2
97.02894	24.1
97.06554	17.1
97.10158	12.2
98.97651	2.8
99.04472	8.0
99.08111	2.8
101.02366	4.9
103.03967	1.9
103.05463	1.9
105.07031	31.7
107.04966	14.9
107.08599	21.9
109.02895	8.5
109.06528	12.3
109.10175	16.0
111.04440	6.7
111.08070	6.1
115.03939	3.4
115.05501	4.5
115.07571	3.1
117.07014	19.0
119.04950	5.3
119.08588	29.2
121.02940	2.7
121.06506	12.9
121.10138	15.5
123.04443	6.1
123.08059	15.1
123.11682	2.1
125.09647	11.9
127.03935	13.9
127.07575	2.2
128.06229	3.3
129.07007	16.2
131.04935	4.9
131.08597	15.3
133.06485	8.7
133.10124	19.8
135.08086	14.9
135.11734	4.4
137.05981	4.2
137.09642	8.0
139.07573	2.4
141.06990	3.4
142.07834	2.9
143.08565	10.9
145.04913	3.5
145.06506	5.4
145.10118	17.2
147.04428	7.5
147.08037	18.0
147.11729	7.5
149.05974	4.7
149.09639	9.7
149.13239	2.9
151.07559	2.8
151.11165	2.5
155.08601	3.6
157.06540	4.3
157.10164	7.4
159.08087	5.7
159.11740	9.3
159.49101	2.0
161.09618	19.2
163.07570	4.2
163.09866	1.7
163.11160	10.9
165.09157	4.4
167.07030	2.4
167.08527	2.6
171.08029	5.0
171.11705	7.8
173.09630	5.0
173.13293	4.9
175.11195	8.0
175.14838	2.8
177.09103	3.4
177.12746	3.8
179.07007	2.1
181.12186	2.6
185.09705	3.0
187.11258	3.9
189.09229	2.2
189.11197	9.1
189.12764	2.9
191.10666	2.8
193.12294	4.7
194.09062	2.7
195.11816	2.3
199.11249	3.7
199.14955	2.3
201.07521	9.4
201.12729	2.3
203.05220	3.6
205.12299	4.7
209.11688	2.0
213.12709	3.5
215.14136	2.7
217.15958	5.9
218.78761	2.5
227.12808	8.0
227.17915	2.6
237.16470	2.4
245.13782	2.3
245.19037	8.1
255.17526	6.7
263.20142	2.5
273.18515	74.1
291.19556	42.8
297.17429	2.1
307.19165	2.1
309.20728	5.3
315.19702	4.9
329.21597	2.3
347.22150	23.5
347.25745	5.5
365.23236	100.0
381.20609	3.4
389.23486	6.2
399.21381	2.3
407.24231	4.2
431.24265	4.4
435.24255	3.9
455.24216	4.0
461.25589	3.1
473.25217	5.2
491.26282	5.9
509.27438	10.8
527.24695	40.2
527.31702	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01859	3.0
55.05515	16.6
57.03435	6.3
57.07093	1.2
59.05003	1.0
61.02635	1.4
61.02925	15.3
65.03938	1.0
67.05177	1.3
67.05508	22.4
69.03424	7.2
69.07069	9.1
70.06602	1.2
70.21496	1.6
70.21918	3.0
71.04984	1.9
73.02928	5.7
79.05058	1.3
79.05495	19.7
81.03422	3.8
81.07059	28.9
83.04961	3.2
83.08620	7.2
85.02905	12.5
85.06551	1.5
91.03955	7.6
91.05482	33.4
93.07044	22.3
93.07624	1.2
95.04969	4.9
95.08608	19.8
97.02898	8.3
97.06519	3.9
97.10149	5.3
98.20805	1.1
99.04457	2.1
103.05447	1.9
105.07031	28.8
107.04947	4.7
107.08588	10.3
109.02882	2.3
109.06528	7.8
109.10163	5.0
111.04453	1.1
111.08080	3.1
111.11698	2.1
115.03959	0.7
115.05457	3.5
116.06242	1.1
117.07017	18.7
117.07835	1.2
117.18363	0.8
118.43320	0.7
119.04972	1.5
119.07792	1.4
119.08582	17.9
121.06552	5.3
121.10135	6.9
123.08051	5.7
123.11663	1.2
125.05997	1.2
125.09589	2.1
127.03893	3.0
128.06216	9.3
129.07014	12.3
129.12712	1.1
130.07791	4.6
131.08568	39.1
133.06462	4.7
133.10118	9.4
135.08052	3.8
135.11690	3.4
137.09590	1.6
138.03329	0.7
139.07524	0.8
141.06978	6.6
141.09111	1.0
142.07813	2.9
143.08559	43.2
144.09261	0.9
145.06474	2.4
145.10118	39.7
147.04366	0.8
147.08034	8.2
147.11678	5.5
149.09621	3.6
149.13229	1.3
151.07521	1.4
154.07761	1.7
155.06075	0.8
155.08563	5.4
157.10132	13.6
159.08052	3.0
159.10402	1.3
159.11691	11.8
161.09618	8.7
161.13226	1.7
163.11218	3.7
165.07024	2.5
165.09027	1.2
165.12752	1.3
166.07794	1.6
167.08603	1.9
169.10097	8.5
171.08026	1.6
171.11693	11.1
173.09624	2.9
173.13280	1.4
175.11172	4.4
177.09071	1.0
177.12747	2.7
179.10713	1.0
180.09406	1.0
181.10068	8.2
183.11739	4.5
185.13240	3.7
187.11211	0.9
189.12781	1.5
195.11705	15.4
195.13449	1.6
197.13258	1.1
199.11188	1.7
199.14767	1.4
201.12669	2.1
203.12669	1.5
209.13266	1.2
211.14836	1.3
213.12779	1.9
213.16309	1.1
213.40868	0.7
215.72166	0.8
217.12245	0.9
219.13721	1.2
222.14104	1.0
227.12691	0.8
227.17842	4.6
237.16377	14.7
241.17929	0.9
245.19014	3.7
255.17403	15.2
273.18506	38.7
277.00354	0.8
291.19525	3.1
311.20023	1.0
329.21228	1.2
331.08020	1.0
347.22162	100.0
348.22183	1.0
349.23465	1.0
365.23251	6.6
491.25287	0.8
509.27155	1.1
524.63074	0.9
527.32574	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.7
55.01875	10.7
55.05513	29.6
57.03439	14.6
59.05000	2.3
61.02927	20.8
64.83445	2.6
65.03954	3.7
67.05173	2.9
67.05507	49.8
69.03074	2.4
69.03425	26.6
69.07069	27.4
70.06573	5.5
71.01324	2.5
71.04972	7.9
71.60249	3.3
73.02894	11.5
77.96992	1.9
79.05057	3.1
79.05495	45.6
80.37533	2.2
81.03416	36.0
81.07056	81.3
83.04984	9.9
83.08612	18.3
85.02901	37.4
85.06545	2.4
87.04458	2.3
91.03945	10.2
91.05475	34.7
93.07046	31.1
95.04980	18.3
95.08607	17.5
97.02885	30.8
97.06518	6.3
97.10177	20.1
99.04434	6.7
100.47144	2.2
101.02374	5.9
103.03941	4.8
105.07028	28.4
107.04968	14.1
107.08589	26.6
109.02869	8.7
109.06517	55.2
109.10150	22.6
111.04422	4.5
111.08094	4.5
115.03919	3.5
115.05468	3.5
117.07020	14.2
119.04895	2.4
119.08582	20.3
121.06479	8.9
121.10146	10.1
123.04413	4.1
123.08047	10.6
123.11707	4.5
125.09621	18.9
127.03936	17.9
129.05492	3.6
129.06999	9.3
130.07765	2.6
131.08571	14.9
133.06480	5.6
133.10117	14.2
135.08054	9.0
135.11668	5.2
137.06001	4.9
137.09546	4.6
143.08540	7.7
145.04970	4.9
145.06505	3.9
145.10106	12.1
147.08054	10.6
147.11671	5.1
149.09595	10.1
149.13290	3.3
151.11263	3.4
153.12714	3.6
155.08385	2.6
157.10107	7.6
159.08092	2.8
159.11696	6.8
161.09630	9.4
163.11159	9.0
163.12402	2.2
165.09152	5.1
167.07054	2.7
171.10184	2.0
171.11649	3.7
173.04451	3.9
173.09720	4.1
173.11800	3.5
175.11168	6.4
183.06557	3.8
183.10158	3.6
185.09521	2.5
189.11232	16.4
189.12709	3.6
191.10599	2.7
193.12279	10.1
201.07712	2.1
211.13234	10.9
223.13261	15.5
225.11267	3.0
227.12778	7.3
235.13272	2.2
245.18954	2.4
249.14903	4.2
263.20035	4.1
267.15921	4.1
269.47049	2.3
273.18481	33.5
283.15335	2.9
291.19534	100.0
299.14407	2.7
347.22195	31.5
365.23169	43.2
365.27289	3.9
389.23245	4.3
407.24399	2.7
431.24628	2.2
473.25500	3.2
491.26117	3.9
509.27527	8.6
527.28131	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
57.03437	0.6
64.27957	0.4
65.03934	1.4
67.05495	1.4
69.03431	1.0
69.07072	0.8
69.30348	4.1
70.06588	0.9
73.02910	0.6
79.05511	0.6
81.03424	1.8
81.07051	2.0
83.08628	0.7
85.02909	1.3
89.03916	3.0
91.05485	17.1
93.07017	0.5
95.04964	0.6
95.08640	0.7
97.02914	0.9
100.07626	0.5
100.11244	1.4
105.03319	0.5
105.07018	0.7
109.02885	1.4
109.10147	1.9
111.04464	2.5
117.03386	8.3
117.04205	0.3
119.04944	21.6
121.10135	0.5
123.04543	1.0
132.02090	0.9
133.02872	0.6
134.03651	0.5
135.04372	1.2
137.05978	1.2
139.03909	5.1
145.02847	27.6
147.04414	20.1
149.02382	0.9
149.05992	3.5
151.07544	0.5
157.03960	1.7
163.03894	0.8
164.04657	0.5
167.07088	1.5
171.06512	3.5
175.03915	41.3
176.04352	0.6
177.05476	72.6
178.05792	0.5
179.07068	2.0
179.14317	0.5
182.15399	0.7
184.09790	0.5
186.05482	1.0
193.05038	0.4
193.15973	0.7
207.06534	100.0
208.06895	1.2
210.15056	0.6
215.16556	0.6
229.14439	1.1
234.08952	0.5
321.09427	1.1
339.10654	0.8
351.10913	1.0
357.74332	0.5
369.11816	0.8
526.24341	0.4
550.54395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
54.21746	1.4
54.55017	1.3
55.01868	2.1
55.05519	10.1
57.03426	1.7
57.07087	4.9
60.24805	1.4
61.02929	1.4
61.24734	1.5
65.03960	1.6
67.05505	24.5
69.03434	4.9
69.07072	23.9
70.06598	4.0
71.05001	5.7
71.08652	2.3
71.59921	2.5
74.06072	3.9
79.05504	13.5
81.03424	3.2
81.07063	100.0
83.04976	2.3
83.08620	12.8
84.96017	1.4
85.02905	11.9
85.06557	5.7
85.40226	1.3
91.05491	21.3
92.05827	1.7
92.07122	7.1
93.07049	22.4
94.96077	1.4
95.04966	2.2
95.08617	83.8
97.02895	3.1
97.06547	3.7
97.10170	7.8
98.97649	1.9
99.08102	6.1
100.11253	1.9
105.07035	7.5
107.04920	2.2
107.08602	26.1
108.66806	1.5
109.02924	1.6
109.06529	2.5
109.10167	54.6
109.10928	2.9
111.04469	2.7
111.08092	3.6
111.11744	5.4
113.09602	1.8
116.98656	3.0
119.04967	3.2
119.08588	5.7
121.06526	1.7
121.10146	15.7
123.04446	2.1
123.11715	45.6
125.09682	3.0
125.13330	1.9
127.03929	5.1
127.11179	2.1
133.10197	3.1
135.11716	15.2
137.05997	6.3
137.13268	11.9
139.11172	1.6
141.12730	2.6
145.02885	2.2
145.04982	1.8
145.10080	1.8
147.04391	3.3
147.11696	3.1
149.06042	1.6
149.13269	25.7
151.03920	2.6
151.14842	14.5
153.12761	4.1
161.05989	1.6
161.13272	3.6
163.03908	2.5
163.07703	2.1
163.14847	23.8
163.16113	2.9
165.16408	2.7
167.07079	2.2
167.14355	4.9
171.13826	3.3
175.07594	1.6
175.14857	3.1
177.05553	7.6
177.09128	1.7
177.16380	10.7
179.17897	2.9
181.15877	3.6
181.50720	1.4
187.13277	4.3
189.16389	1.6
191.07057	2.0
191.17946	6.9
203.17873	2.9
207.06610	4.6
209.19044	1.7
217.19463	9.2
221.18909	2.0
235.20570	2.6
243.07622	2.0
261.25769	3.5
273.25754	15.1
279.26862	3.5
291.26840	38.0
309.27972	20.7
327.27426	6.0
342.06281	1.4
345.28488	4.6
349.01715	1.4
363.29358	2.4
443.37711	1.6
496.14609	2.0
525.14514	1.9
525.23602	4.9
525.33667	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	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	15.7
57.03438	2.8
57.07075	6.4
62.44983	2.3
66.04612	2.3
67.05509	26.5
69.03435	3.9
69.06724	3.1
69.07072	38.5
71.04985	5.6
71.08625	4.4
71.25245	3.9
79.05502	11.8
79.86031	2.3
81.07061	100.0
82.18818	2.5
82.96951	2.3
83.04996	2.6
83.08624	15.5
85.02896	9.6
85.06554	11.7
91.05502	5.1
93.07036	20.8
95.04948	2.9
95.08614	81.9
96.08970	2.4
97.02881	3.4
97.06544	4.9
97.10167	9.7
99.08109	8.5
105.07031	6.8
107.08598	30.2
109.10161	46.3
111.11739	9.6
113.09678	3.0
119.08556	5.9
121.10153	18.7
123.04464	2.3
123.11709	41.0
125.09635	4.8
125.13289	3.2
131.04916	3.5
135.11693	19.2
136.87799	2.5
137.05995	10.6
137.13277	15.4
145.02849	2.9
147.11639	2.7
149.13283	22.0
151.14813	9.4
153.12761	9.0
155.14348	2.4
163.07574	7.1
163.14847	24.0
164.14413	2.4
164.99867	2.5
167.06952	2.7
167.14307	4.3
173.09789	2.6
175.14810	2.3
177.05487	6.7
177.16414	9.0
181.15915	5.7
191.17949	4.3
203.18001	4.5
205.19470	2.7
217.19528	6.6
235.20511	2.6
261.25873	3.5
273.25803	9.9
279.26907	7.9
291.26801	37.3
297.27869	3.7
302.03513	2.9
309.27869	34.8
332.05295	2.8
333.05307	4.6
345.30020	4.7
346.06589	3.3
347.06961	2.9
361.09070	7.6
362.09393	8.4
363.09833	22.4
427.19733	2.8
525.23102	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	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52159	2.5
51.00695	2.9
55.05508	11.1
57.07067	10.4
67.05505	22.5
67.47104	2.9
69.07072	47.5
71.04997	6.8
71.08633	6.5
71.59911	4.1
79.05494	15.9
81.07063	100.0
83.08637	19.2
85.02906	9.6
85.06548	25.8
91.05494	5.0
93.07055	35.0
95.08607	75.0
97.06536	9.3
97.10163	8.5
99.08095	5.7
105.07025	14.3
107.08611	38.7
109.10159	46.8
111.04424	2.9
111.08083	19.8
111.11732	10.8
119.08554	7.9
121.10155	24.4
123.11720	35.8
125.09644	5.2
133.10126	6.2
135.11710	17.4
137.13252	28.9
139.11101	3.1
142.12086	3.5
147.11688	14.4
149.13278	24.3
151.03903	3.1
151.14803	3.9
153.12747	19.8
155.14317	10.6
159.22604	2.9
161.13274	10.7
163.14806	15.3
165.12784	13.1
166.04962	4.7
167.07028	5.5
167.14308	4.6
171.13809	5.8
175.14914	3.7
177.16370	9.9
178.16743	2.9
183.13838	4.7
191.17960	7.0
195.70711	2.8
201.14912	4.2
203.17917	3.3
217.19530	10.8
235.20520	8.8
253.21645	9.2
261.25827	5.6
273.25809	18.6
279.26910	9.3
291.26865	47.4
297.27905	12.9
309.27914	44.5
317.06882	4.0
327.13440	6.6
327.28964	36.5
331.08319	3.2
341.15042	4.8
345.29831	4.8
346.06644	7.6
347.07196	6.1
348.07443	14.1
361.09106	17.4
362.09433	19.7
363.09940	45.6
378.48502	2.9
482.23117	13.1
525.23846	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	524.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46623	0.9
55.05513	13.1
57.03444	6.0
57.07075	7.6
60.08140	1.1
67.05505	11.2
69.07068	18.9
71.08640	5.3
71.58881	1.4
79.05493	5.2
81.03407	1.8
81.07056	14.6
83.05019	1.2
83.08618	14.1
85.10183	1.3
86.09711	6.1
86.57265	1.0
87.10046	2.2
88.03979	4.8
91.05481	1.6
93.07038	6.5
95.04990	2.0
95.08603	11.7
97.03415	1.0
97.06541	1.2
97.10165	9.1
98.98451	5.4
105.07086	1.5
106.05001	1.3
107.08590	4.7
109.10139	6.0
111.08061	1.6
111.11697	2.1
119.08582	1.5
121.10155	6.5
125.00003	3.9
125.09669	1.2
127.00471	1.0
133.61812	0.9
135.11705	4.4
149.13266	1.6
172.95259	3.1
173.02034	2.1
180.91370	1.1
184.07349	19.1
184.08965	1.4
185.07672	9.6
186.07819	4.3
190.96234	1.3
195.96970	1.1
210.97673	1.1
228.97716	1.2
247.24332	1.2
265.25272	1.8
267.16043	1.3
275.20029	1.4
278.22409	1.1
293.21234	1.7
314.27640	1.6
321.49872	1.2
339.28943	100.0
340.29324	1.8
352.28519	1.6
524.23541	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	525.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01850	2.2
55.05512	10.9
60.26271	0.9
65.03924	1.0
67.05505	14.3
69.03429	1.3
69.07063	5.4
69.37415	2.1
69.37822	7.7
70.05082	0.9
72.68707	0.9
75.01067	0.8
75.30293	0.7
79.05492	10.4
81.03401	2.4
81.07052	13.0
83.04988	4.5
83.08630	7.2
85.06530	1.6
91.05495	11.0
93.07035	7.0
95.04967	33.7
95.08595	7.3
97.06495	2.2
97.10181	6.4
98.21588	1.0
99.08120	0.8
105.07033	7.7
107.04943	4.0
107.08587	7.9
109.06514	3.2
109.10146	6.2
111.04440	2.2
111.08084	2.6
117.07011	3.4
119.04921	3.0
119.08573	4.3
121.06491	2.6
121.10149	4.5
123.04420	2.1
123.08078	2.9
123.11719	2.0
125.09614	6.6
129.06973	1.6
131.08577	4.4
133.10124	6.2
133.29004	1.0
135.08043	1.9
135.11668	2.4
137.05962	2.0
143.08600	1.5
145.06456	0.9
145.10117	6.2
147.04405	15.3
147.08060	1.8
147.11693	2.1
149.06033	1.2
149.09647	6.5
151.07518	3.6
151.11156	3.7
153.09035	4.5
159.08086	1.2
159.11694	2.7
163.03995	1.7
163.11180	10.6
165.12776	2.0
167.08655	0.9
167.10672	1.4
169.10118	1.8
169.12231	1.3
171.11726	1.4
173.09619	1.4
177.09071	2.5
177.12787	1.6
183.11726	1.1
187.11118	1.3
189.11218	4.9
191.10634	2.2
195.11897	0.9
205.12216	2.5
211.53821	0.9
223.13289	12.4
237.14960	1.1
247.20454	2.1
275.20047	13.1
293.21106	100.0
311.22079	2.1
318.36258	1.0
433.24411	1.3
433.30875	1.2
451.25064	1.8
451.31836	3.0
469.32935	2.0
525.35962	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	524.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01867	16.3
55.05515	11.9
57.03440	18.2
66.64812	2.7
67.05504	36.3
69.03440	4.9
69.07072	38.9
70.06596	3.1
71.04990	3.7
71.59923	3.9
71.78224	2.3
72.04510	3.0
73.02915	4.7
74.86450	2.5
79.05502	19.4
81.03429	3.1
81.07059	30.8
83.04965	8.1
83.08598	5.9
91.05476	16.6
93.07038	19.1
95.04990	5.8
95.08606	22.3
97.06519	8.0
97.10192	4.4
98.06034	2.6
98.98502	2.6
105.07052	14.0
107.04981	5.2
107.08585	11.3
109.06509	10.8
109.10168	16.8
111.04452	9.3
116.04712	9.6
119.08588	10.8
121.10154	8.1
123.08060	3.9
125.05978	3.2
125.09610	4.7
129.05470	30.3
131.08585	8.3
133.06477	2.8
133.10133	12.0
135.08047	3.2
135.11703	8.5
137.05991	67.2
137.09592	5.2
137.27673	2.6
143.07033	8.0
145.10097	5.6
147.08060	4.4
147.11697	7.8
149.09601	7.7
157.08600	14.5
157.09927	2.8
158.98473	2.4
159.11685	3.0
161.13205	4.3
163.11224	5.8
165.09164	3.9
171.10216	2.3
171.11667	4.6
173.11784	4.7
175.11069	5.3
180.13782	4.4
213.16405	3.0
214.10818	4.2
221.19061	2.9
223.13214	3.6
229.14418	9.9
231.17436	5.6
241.78403	2.5
249.18550	2.6
254.17535	2.9
275.20059	6.8
277.17978	21.5
282.86142	2.3
295.19000	6.8
334.14124	3.4
349.23709	32.5
351.21716	35.1
352.15338	4.2
365.23242	5.6
383.24338	100.0
472.24570	10.2
524.27887	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	524.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01865	1.1
56.99591	0.3
57.03424	1.1
61.02930	1.6
65.03931	0.3
66.11770	0.3
67.05493	0.5
69.03432	4.5
69.07062	0.3
70.20316	0.7
70.20731	1.0
71.04978	0.6
73.02910	0.8
73.92226	0.4
77.03966	0.3
79.05503	0.7
81.03436	1.9
81.07055	1.7
85.02908	14.1
87.04481	0.7
90.66762	0.3
91.03950	0.5
91.05482	1.7
93.07063	0.6
94.04195	1.6
94.97654	0.3
95.05005	0.5
95.08594	1.0
97.02890	4.6
98.21383	0.5
99.04464	0.8
102.68676	0.3
103.05470	5.8
105.07040	3.3
107.04937	0.9
107.08569	0.5
109.02888	1.2
109.06511	0.9
109.10163	0.7
111.11734	0.4
117.07039	1.1
119.04966	1.1
121.06534	2.5
121.10158	0.5
122.03638	4.4
123.08057	0.7
127.03912	2.4
128.06184	0.4
128.24226	0.3
128.42561	0.3
129.06973	0.3
131.04936	9.6
131.08597	0.5
133.06497	21.1
135.08063	6.8
137.05983	100.0
138.06299	0.5
143.08589	0.5
145.04953	3.0
145.06487	2.9
147.04367	0.8
147.08055	2.6
149.05992	1.5
151.07549	6.1
157.06516	1.4
159.08089	1.2
161.09703	0.4
162.06711	0.4
163.07549	39.1
165.09106	0.7
171.08070	1.3
175.03922	1.2
175.07555	1.6
177.09093	0.8
180.08607	1.6
187.07532	0.7
188.08493	0.4
189.09096	3.1
203.10609	2.2
207.06520	2.5
207.08177	0.4
213.18457	0.4
217.10135	0.3
221.11754	0.5
235.11192	1.2
263.10681	1.8
277.12241	0.3
295.13297	18.5
303.05148	0.5
304.05380	0.8
308.26569	0.5
312.13431	0.4
327.15921	36.4
331.04388	0.8
332.04846	1.7
345.06079	0.4
345.17029	4.9
346.06784	2.7
347.07248	4.6
348.07318	0.5
361.09161	3.4
362.06250	4.2
362.10233	10.3
524.14856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
55.05484	0.3
57.03437	3.3
59.54280	0.4
61.02918	0.7
67.05489	0.7
69.03432	0.7
69.07063	0.4
69.81703	2.2
73.02917	5.2
74.06091	1.8
79.05487	0.6
81.07059	1.5
85.02918	1.3
91.05486	1.3
92.07120	2.0
93.07039	1.0
94.04166	0.8
95.08604	1.0
97.02886	0.8
103.05473	6.0
105.07034	0.8
107.04939	1.0
107.08608	0.6
109.10178	1.3
111.44428	0.4
111.59684	0.4
115.03916	0.7
115.05470	2.2
117.07038	1.1
119.08615	0.7
121.06505	1.2
122.03638	2.1
123.11677	1.3
128.06285	0.5
129.07013	2.2
131.04930	14.3
133.06479	1.0
135.08070	1.1
137.05980	34.3
137.09569	0.6
138.06329	0.9
143.04933	0.5
143.14423	0.3
145.06421	0.5
147.04410	0.7
147.08049	1.2
149.05968	1.3
151.03844	0.7
151.07555	0.7
153.05452	0.8
157.06493	2.8
160.05225	1.9
161.05974	7.0
162.06665	0.4
163.07545	36.3
164.08080	0.5
164.51598	0.4
167.07011	1.0
167.08388	0.4
174.06680	0.5
175.07549	100.0
176.07901	1.3
177.05460	0.6
177.09146	1.4
179.07082	1.0
179.08534	0.5
181.08527	0.7
185.01324	0.4
185.06000	1.8
188.04657	1.0
189.09126	2.8
191.07045	5.5
193.06551	0.7
193.08649	0.7
195.17380	0.4
202.06317	0.6
203.07033	3.9
205.08588	9.0
207.08052	0.8
209.08092	3.4
210.06728	1.2
217.08611	4.6
221.05984	3.2
222.06752	0.6
224.08247	0.7
225.09131	3.9
233.08076	1.0
235.09650	59.5
236.10040	0.6
238.06236	1.2
239.06941	0.6
239.10760	0.5
250.06340	0.6
251.07133	0.6
252.07814	0.8
253.08578	7.8
254.09171	0.4
265.08517	2.7
267.10120	2.5
270.08929	0.9
277.08624	1.3
285.11209	19.0
291.10095	0.7
294.08951	0.6
295.09604	1.5
297.11115	2.3
299.12793	1.3
307.09546	0.4
307.26474	0.4
308.26123	1.2
309.11160	3.0
323.12781	0.6
325.10776	2.0
326.26913	2.7
327.12262	19.8
339.12350	0.5
341.13849	14.5
344.27884	2.1
345.13324	22.2
357.13412	4.6
369.93967	0.5
376.24902	0.4
390.22729	0.5
511.74722	0.4
525.51239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69647	0.4
53.03943	0.8
55.01872	1.2
55.03001	0.5
55.05528	0.4
57.03437	1.5
57.07072	0.5
61.02931	0.7
63.01229	0.4
65.03941	1.0
66.04725	0.6
67.05505	1.4
69.03423	1.3
69.07079	0.7
69.49706	2.5
69.50117	0.8
70.04089	1.9
70.06580	0.4
71.04987	1.2
75.04471	1.8
77.03925	0.5
78.04695	0.6
79.05492	6.3
81.03410	1.0
81.07067	1.0
82.04086	0.8
82.52100	0.4
85.02902	2.1
85.06550	0.9
86.26432	0.4
89.03924	1.0
90.04683	0.8
91.05483	7.2
92.06270	0.4
93.03399	4.7
93.07030	3.1
94.04191	0.4
95.04966	2.5
95.08630	0.4
97.02866	0.6
97.06530	0.8
98.20720	0.5
103.05472	9.2
104.06259	0.9
105.04501	0.5
105.07032	16.3
106.04173	8.8
107.04957	4.2
107.08551	0.4
108.05759	0.7
108.73228	0.4
109.02911	2.1
109.06544	2.1
109.10179	0.4
110.34633	0.4
111.04481	0.6
115.05447	1.3
117.07035	0.5
118.04165	16.7
119.04990	2.1
120.05745	1.9
121.06505	12.2
121.10192	0.5
122.03571	0.4
122.07322	1.8
123.04446	0.6
123.08044	1.0
124.05209	8.2
125.05985	2.9
127.03972	0.7
131.04898	3.0
132.05739	1.2
133.02853	0.5
133.06491	25.2
134.03638	1.4
134.07318	2.1
135.04411	2.7
135.08043	4.3
135.11714	0.6
137.05975	4.0
138.06654	0.5
139.07539	1.1
145.02916	0.8
146.03604	0.7
147.04448	0.6
148.05194	1.5
149.05983	19.2
150.06757	9.3
150.41568	0.5
151.03970	0.5
151.07547	4.1
153.05473	0.9
153.09090	4.7
160.05190	0.4
160.97221	0.6
161.05995	4.8
161.97574	0.7
162.01372	0.9
162.06615	0.5
162.97040	3.8
163.03920	1.6
163.07518	2.1
165.05458	0.5
165.09125	14.4
167.07057	4.3
175.07518	0.8
177.05475	13.2
177.09004	0.8
178.06183	0.5
179.07005	0.6
180.07925	0.5
181.08595	9.4
190.00845	0.9
190.96536	1.1
191.07033	4.3
192.07826	1.5
193.08612	100.0
194.08965	0.8
195.06523	1.4
195.17419	0.8
207.08873	0.5
209.08093	72.3
210.08565	0.4
213.18600	0.6
223.04251	7.9
258.00027	1.1
259.00433	1.1
259.99805	11.7
284.10321	0.5
312.08884	0.8
346.06577	0.6
347.07312	1.0
353.13818	0.7
361.08020	0.5
362.06268	7.4
383.24100	1.3
385.16522	1.2
457.38934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03941	1.0
55.01876	1.4
55.05531	0.4
57.03435	1.6
61.02933	0.5
63.77295	0.4
65.03948	1.1
66.04713	0.8
67.05506	2.0
69.03427	1.0
69.07079	0.5
69.95188	2.3
70.04078	1.9
71.05006	1.1
75.04482	1.9
78.04707	0.8
79.05487	6.1
81.03423	0.8
81.07053	1.2
82.04084	0.8
85.02904	2.8
85.06531	0.7
89.03923	1.0
89.06050	0.7
90.04700	0.4
91.05478	7.5
92.06279	0.5
93.03403	4.1
93.07034	2.6
94.04202	0.4
95.04958	3.1
95.08613	1.0
97.02881	0.7
97.06518	0.9
100.05103	0.5
103.05460	9.4
104.06258	0.5
105.04562	0.5
105.07034	17.4
106.04171	8.9
107.04961	4.3
107.08605	0.7
108.05728	0.7
109.02885	2.1
109.06509	1.8
109.10181	1.0
111.04438	0.5
115.05469	0.9
117.03370	0.5
117.07009	0.7
118.04160	19.8
119.04968	2.3
120.05737	1.6
121.06503	14.8
122.07329	2.0
123.04460	1.2
123.08075	1.1
124.05217	8.1
125.06000	3.2
127.03902	0.6
130.84081	0.4
131.04926	3.2
132.05734	1.0
133.06488	24.2
133.10048	0.4
134.03615	1.7
134.07265	2.1
135.04440	3.0
135.08060	4.5
136.05173	0.5
137.05971	4.3
138.06778	0.6
139.07596	0.7
145.02899	0.5
147.04407	0.6
148.05215	1.2
149.04767	1.0
149.05977	19.6
150.06772	9.7
150.07912	0.8
151.02058	0.5
151.07539	5.5
153.05450	0.6
153.09119	5.1
160.05228	0.6
160.97345	0.5
161.05963	5.4
162.01363	0.9
162.97044	3.9
163.03911	1.8
163.07559	2.2
165.05458	0.5
165.09120	15.1
166.06241	0.7
167.07042	4.6
175.07481	0.8
176.04710	0.7
176.23955	0.5
177.05458	13.9
178.06245	0.6
179.01639	0.6
179.06935	0.7
180.07753	0.6
181.08615	9.9
190.96564	1.3
191.07056	3.3
192.07816	1.6
193.08607	100.0
194.08949	0.6
195.06532	1.0
195.17445	1.1
209.08092	73.0
210.08405	0.8
223.04243	8.6
258.00140	1.0
259.00366	0.7
259.99832	10.1
304.05304	0.5
307.55945	0.5
312.08920	1.0
347.07028	0.9
350.08157	0.4
353.13782	1.3
360.06985	0.8
360.11133	0.5
361.08560	0.9
362.05930	6.0
362.10059	1.5
383.24261	1.0
385.16388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	15.6
57.07081	76.7
57.37269	10.2
62.31635	9.6
64.20742	11.2
67.05514	56.9
69.07096	22.7
71.08614	54.0
71.60373	13.2
79.05470	19.9
81.03426	68.0
81.07062	45.3
83.04985	14.0
83.08624	24.4
85.10189	51.9
91.05494	27.0
92.28806	10.3
93.07058	20.6
95.04975	17.0
95.08609	39.2
97.10186	18.5
105.07010	16.0
109.10141	27.7
121.10129	14.7
131.08510	12.6
133.10135	21.7
157.10135	13.5
193.12238	45.8
211.13231	14.3
216.77206	13.2
229.93048	11.5
267.15897	44.5
287.07053	11.5
313.27332	64.8
394.23331	10.8
505.39020	56.5
523.39923	100.0
524.40662	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05518	15.2
57.03444	22.6
57.07080	50.9
67.05504	22.4
69.07076	12.8
70.28982	11.2
71.08634	30.1
79.05498	17.0
81.03422	100.0
81.07056	25.6
83.04994	6.2
83.08624	28.0
85.10190	19.0
91.05489	19.7
93.07042	11.7
95.04975	25.0
95.08616	28.2
97.10165	9.0
105.07047	14.8
107.04919	5.3
107.08587	5.2
109.06499	2.7
109.10169	8.5
111.08090	6.9
113.09654	2.1
117.07037	2.3
119.04850	2.6
119.08583	13.0
121.06513	3.9
121.10143	5.6
123.11720	4.4
126.73299	2.5
129.07005	10.7
131.08578	7.0
133.06525	5.5
133.10112	4.5
142.07756	2.9
147.08002	2.9
147.11662	6.6
149.09639	3.5
157.10178	11.0
175.11194	10.1
193.12241	47.7
207.77490	2.6
211.10133	2.3
211.13293	7.3
228.15694	2.3
239.23749	4.4
249.14905	5.6
257.24841	2.6
267.15918	96.9
286.45642	2.6
291.84067	2.5
313.27374	98.7
339.29047	2.6
349.00400	2.4
505.38855	68.1
520.20563	2.4
523.39935	19.8
543.45972	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37904	3.2
55.05522	24.6
57.03447	23.7
57.06825	3.9
57.07081	69.2
62.60976	2.9
65.03962	4.3
67.05505	36.9
69.03402	4.4
69.07059	16.1
69.29719	33.3
71.04990	5.2
71.08644	45.1
77.36794	3.6
79.05506	23.5
81.03422	85.8
81.07057	44.1
83.04979	10.9
83.08620	34.7
85.02894	13.8
85.06563	3.4
85.10188	18.7
91.05478	25.8
92.48730	3.2
93.07047	18.9
95.04971	32.8
95.08612	43.3
97.10167	12.2
98.21492	8.4
105.07024	19.8
107.04958	7.6
107.08570	12.0
109.06507	6.2
109.10198	19.0
111.08062	7.3
117.06964	3.7
119.04913	3.7
119.08596	15.4
120.44508	3.3
120.98410	3.1
121.06497	3.6
121.10158	14.8
123.11729	7.4
125.09604	4.6
129.07016	12.7
131.08554	8.8
133.10155	8.6
135.11667	4.7
135.87209	3.3
137.09590	3.9
141.72243	3.4
145.10327	3.1
147.04405	11.6
147.08055	4.4
147.11673	15.2
147.12781	3.5
149.09650	10.6
157.10144	9.6
165.12758	3.8
175.11194	12.0
184.07256	5.3
193.12248	86.9
206.73773	3.6
211.13295	34.1
239.23665	9.0
249.14963	6.3
267.15924	89.6
275.20123	5.5
293.21024	13.8
313.27371	100.0
336.28146	4.1
505.38937	55.3
506.38953	4.5
523.32684	5.3
523.40009	87.1
524.40118	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.05521	13.6
57.03444	19.1
57.07080	36.9
62.60935	2.1
66.28041	2.0
66.92200	1.9
67.05515	21.3
69.07079	12.0
69.89756	13.1
71.08636	32.1
71.41881	2.2
79.05503	13.1
81.03426	81.7
81.07071	25.9
83.04979	4.5
83.08635	22.6
84.15295	2.5
85.02932	3.0
85.10191	14.3
88.56582	2.1
91.05482	17.5
93.07051	12.6
95.02035	2.4
95.04975	22.9
95.08610	19.7
97.10165	7.9
98.20766	5.2
98.21414	5.2
105.07067	12.6
107.04973	3.6
107.08579	3.8
109.10150	11.0
111.08075	7.2
119.08562	12.1
121.10145	6.4
123.11707	2.9
129.07028	6.0
131.08574	6.6
133.10132	2.6
137.13271	3.3
142.07750	2.8
145.77194	2.1
147.11694	6.9
149.09677	4.0
157.10127	7.5
175.11221	7.4
193.12245	38.0
211.13303	5.3
229.65459	2.9
239.23721	7.9
249.14912	5.6
267.15930	100.0
268.16412	3.2
313.27386	90.0
328.87109	2.5
505.38922	67.1
523.40082	21.5
525.92194	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.6
55.05515	16.8
56.96561	1.9
57.07070	8.1
61.02918	2.2
65.03941	2.8
67.05510	32.9
69.03439	7.2
69.07072	27.9
69.97934	10.2
70.06596	3.1
70.70010	1.7
71.04986	5.8
71.52871	1.9
73.02912	1.9
74.27938	1.8
79.05502	20.1
81.03410	5.4
81.07059	100.0
82.07385	3.5
83.04986	4.0
83.08624	12.3
85.02921	9.8
85.06556	8.7
91.05502	13.2
93.07049	51.6
95.04982	8.2
95.08611	79.6
95.97195	1.9
96.08949	2.1
97.02890	6.0
97.06538	7.9
97.10172	8.6
99.08102	5.6
103.05482	4.1
105.07035	24.9
106.18346	1.9
107.04986	5.3
107.08599	46.2
109.02886	2.6
109.06506	5.9
109.10164	54.9
111.04418	2.7
111.08092	5.9
111.11730	6.3
117.03369	2.6
119.08585	18.6
121.06535	3.7
121.10159	35.7
122.03670	3.1
123.04437	2.7
123.08086	4.1
123.11725	34.2
125.05977	3.5
125.09630	6.3
127.03867	1.9
131.04930	6.7
131.08604	4.5
133.10121	14.0
135.08029	3.2
135.11707	25.3
137.05992	33.9
137.09613	3.1
137.13295	11.8
139.11174	4.8
145.02870	6.7
145.10144	7.7
147.04424	4.2
147.11719	9.5
149.09644	6.3
149.13271	39.7
151.03912	6.2
151.07547	3.4
151.11195	4.6
151.14839	2.1
153.05527	3.1
153.12750	3.8
154.08563	1.9
155.10620	2.1
159.11719	7.3
161.06058	5.6
161.13278	10.1
163.07539	10.8
163.14824	10.9
165.12715	3.7
165.16365	2.6
167.07050	5.4
167.08507	1.8
173.13197	4.1
174.06927	2.2
175.07518	5.1
175.14825	8.8
176.15225	2.0
177.05534	10.9
177.16422	11.5
179.03343	3.5
179.07004	1.9
179.14468	2.3
181.04968	2.6
181.08600	2.5
181.12366	3.8
187.14836	4.7
189.16440	5.5
193.15916	3.8
194.16191	2.6
195.17447	6.4
203.07098	3.1
203.17973	2.4
207.06587	2.9
211.16995	4.4
212.17268	2.0
213.09354	2.0
213.11212	10.4
213.18518	3.9
215.17967	6.3
251.20132	6.0
255.38702	1.9
257.90134	2.2
261.25851	2.6
263.23911	3.0
271.24231	13.0
277.25278	8.7
285.11411	2.5
289.25299	31.3
295.26257	6.1
297.11148	4.9
299.12820	4.5
307.23041	2.9
307.26385	40.0
315.05200	2.2
323.12701	2.5
323.51199	1.9
325.27353	7.0
343.15237	2.4
346.06851	7.3
347.07645	4.3
361.09180	23.4
362.09753	2.3
422.36594	2.1
505.18689	6.4
523.21368	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
55.05513	11.7
57.03438	5.4
57.03666	0.9
57.07079	32.5
64.51666	1.1
65.03931	1.2
67.05178	1.5
67.05514	24.8
69.03423	2.3
69.07077	10.1
71.04990	4.1
71.08634	23.7
79.05499	13.2
81.03423	34.9
81.07059	29.0
83.04992	6.2
83.08622	19.2
85.02911	17.5
85.03377	2.1
85.10189	14.6
85.61607	1.0
88.65427	1.0
91.05481	16.1
93.07040	11.3
95.04971	14.0
95.08615	23.4
97.02887	2.9
97.06537	1.1
97.10190	6.4
99.08042	1.4
105.07047	9.5
107.04978	2.8
107.08590	4.2
109.06573	2.1
109.10163	10.4
111.08063	5.5
111.11736	1.9
113.06050	1.4
115.05458	1.2
119.08600	11.0
121.10111	5.1
123.11715	3.4
129.05554	1.4
129.07036	7.2
131.08574	6.4
133.06544	2.1
133.10124	5.7
135.11687	1.2
137.09590	1.7
137.13246	2.1
147.04483	1.3
147.08125	1.5
147.11667	8.7
149.09644	3.9
151.14867	2.1
154.02615	1.1
157.10098	7.6
165.12802	2.1
175.11192	9.7
184.07269	1.3
193.12259	32.3
211.13306	26.9
221.22665	1.2
229.57303	1.6
239.23773	4.9
254.59625	1.2
267.15884	10.0
313.27396	11.4
505.39316	7.5
523.31232	3.9
523.39966	100.0
524.40137	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01861	0.2
55.05516	0.6
56.27042	0.1
56.96561	0.2
57.03453	0.2
57.07084	0.2
65.03957	0.2
66.33930	0.1
67.05515	1.1
68.13969	0.1
69.03427	1.1
69.07050	1.0
70.06590	0.5
71.01343	0.2
71.04994	0.3
71.12096	0.4
73.02922	0.2
79.05489	0.9
81.03419	0.4
81.07063	3.5
83.04988	0.2
83.08621	0.4
84.02644	0.1
85.02910	0.9
85.06549	0.4
90.04730	0.2
91.05475	0.7
93.07053	1.7
93.45574	0.2
95.04985	0.6
95.08611	2.8
97.02885	0.3
97.06541	0.3
97.10188	0.3
99.08112	0.2
105.03369	0.2
105.07021	1.0
107.04985	0.3
107.08593	1.3
109.02909	0.2
109.06551	0.3
109.10167	2.3
111.04458	0.2
111.08121	0.2
111.11784	0.2
115.05476	0.1
117.07001	0.2
118.04125	0.3
119.04961	0.4
119.08574	0.8
121.02845	0.2
121.06540	0.3
121.10155	1.3
123.04460	0.3
123.11732	1.2
125.09656	0.3
127.03859	0.3
131.04904	0.3
131.08577	0.2
132.04453	0.6
133.02884	0.3
133.10141	0.7
134.03665	0.2
135.04445	0.2
135.10834	0.2
135.11668	0.9
136.05185	0.2
137.02344	0.2
137.05974	1.0
137.13284	0.4
139.03981	0.5
139.11226	0.2
145.02850	0.4
145.10100	0.3
146.03621	0.6
147.04436	0.8
147.11688	0.4
149.02290	0.2
149.06042	0.2
149.13290	1.0
150.03185	0.2
151.03894	0.3
151.07603	0.2
151.14864	0.2
153.01828	4.9
153.05492	0.2
154.02219	0.1
154.06268	0.4
156.10188	0.2
159.11673	0.2
161.06004	0.3
161.13324	0.4
163.03952	0.3
163.07635	0.4
163.14833	0.5
164.04694	2.8
165.01845	0.5
165.05481	0.9
165.12759	0.3
167.07025	0.4
173.13313	0.2
175.03917	0.7
175.07555	1.2
175.14833	0.4
177.05469	1.0
177.09065	0.2
177.16380	0.2
179.03418	0.5
181.05048	0.7
184.53871	0.1
187.03850	0.2
191.03374	0.2
191.06993	0.3
192.04208	1.6
193.04973	0.4
193.08658	0.2
193.15947	0.5
194.05740	0.6
194.16270	0.3
197.04530	0.3
201.05476	0.2
201.09094	0.1
203.03531	0.2
204.04097	0.2
205.04863	0.2
207.06544	1.4
213.05522	0.4
215.03426	0.3
215.91557	0.2
217.04955	0.5
219.02895	0.2
229.04973	1.2
230.05698	0.3
232.03764	0.5
233.04309	0.2
235.09688	0.4
240.04198	0.2
241.04907	0.3
242.05710	0.2
243.02940	0.5
243.06604	0.3
244.03804	0.2
245.04576	0.2
246.05350	0.2
247.06100	0.5
249.09627	0.2
253.08524	0.1
257.04501	1.8
258.05167	0.6
259.05978	0.3
259.12082	0.2
260.03186	0.8
261.03833	0.2
269.04440	0.8
270.04980	0.2
271.02463	0.8
271.06046	1.3
271.24194	0.5
272.03168	0.2
272.06796	0.6
273.03995	0.4
273.07483	0.3
275.05569	2.8
277.25183	0.3
283.06122	0.2
284.03143	0.2
285.03900	1.9
285.11154	0.5
286.04703	1.3
287.05508	1.1
288.02676	0.8
288.05511	0.2
289.25220	1.2
295.26642	0.2
297.03931	0.4
299.01852	0.9
299.05515	0.9
300.02673	6.0
300.06213	0.7
301.03339	1.5
301.07071	1.0
302.04065	0.7
302.07504	0.2
303.04999	4.2
304.05396	0.2
307.26251	1.4
313.03320	0.7
314.04156	0.4
315.04971	3.7
316.02176	0.9
316.05438	0.3
317.03024	0.4
317.06573	1.0
318.07336	1.1
325.27368	0.3
327.05139	0.8
327.12326	0.3
328.05795	0.6
329.03064	0.2
329.06497	1.0
330.03717	0.4
331.04492	6.2
331.73264	0.2
332.04822	0.7
343.08115	0.5
345.06091	4.7
345.13245	0.4
346.06851	40.1
347.07254	3.7
361.09183	100.0
362.09552	8.9
362.14209	0.3
517.77112	0.2
523.14771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79019	1.6
53.03949	2.0
55.05513	12.8
57.07068	4.3
67.05170	2.7
67.05506	29.7
68.47152	2.1
69.07083	19.9
70.76117	6.1
71.04996	3.4
75.77538	1.8
78.67610	1.9
79.05505	16.6
81.07061	100.0
83.08644	11.9
83.09047	1.9
85.02916	5.3
85.06542	5.2
91.05473	8.1
93.07050	40.7
95.04971	2.9
95.08613	76.5
97.06528	4.5
97.07245	1.6
97.10152	5.8
99.08103	2.7
105.07040	16.8
107.08595	35.7
109.02994	2.3
109.06485	2.1
109.09452	3.3
109.10159	45.6
111.08083	2.8
111.11706	7.4
119.08585	14.5
121.10158	25.9
123.11710	28.6
125.09605	5.4
127.11211	2.3
131.08591	2.2
133.10139	11.8
135.11707	22.5
137.09576	2.4
137.13258	10.4
139.11217	2.5
145.10117	7.2
147.11726	11.8
149.13260	36.4
151.14824	2.5
153.12807	2.3
159.11690	4.4
161.13284	9.6
163.14813	12.5
165.12733	2.5
165.16264	2.0
173.13260	2.7
175.14813	7.0
177.16383	4.8
179.14244	2.1
187.14713	3.9
189.16435	4.7
191.17917	3.9
203.17979	2.2
215.17986	5.6
245.22684	2.3
255.24463	1.9
258.00320	3.9
259.00482	2.9
263.23795	3.5
271.24225	13.2
277.25256	6.4
289.25238	28.3
294.61481	1.8
295.26328	4.4
303.19409	1.8
305.54025	2.1
307.26349	39.9
325.27304	5.6
360.07031	2.4
361.08618	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	523.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01873	4.3
55.05513	12.3
55.24202	0.7
55.62120	0.8
57.03429	3.1
64.68086	0.8
65.03950	0.9
67.05505	18.2
69.03435	1.7
69.07076	7.2
70.74644	1.6
71.04982	0.7
74.29873	0.7
75.36678	0.8
79.05056	1.2
79.05492	15.8
81.03410	2.7
81.07058	35.9
83.04978	4.3
83.08627	8.0
85.06552	1.4
91.05480	13.1
93.07055	10.2
95.04979	11.7
95.08614	8.7
96.08945	1.1
97.06534	1.7
97.10174	9.4
99.08060	1.1
100.64155	0.7
103.05444	0.8
105.07037	10.0
107.04967	3.3
107.08598	11.3
109.06503	4.3
109.10168	9.5
111.04464	5.2
111.08079	2.0
117.07003	7.4
119.04936	1.5
119.08584	13.8
121.06497	5.1
121.10145	4.9
123.08070	4.4
125.09634	6.8
128.06229	1.0
129.07013	1.6
131.08603	6.1
133.06552	1.3
133.10130	8.0
135.08020	4.4
135.11673	2.5
137.06029	0.8
137.09645	1.9
139.64677	0.8
143.08563	3.0
145.06476	1.0
145.10129	7.3
147.04353	0.9
147.08032	8.4
147.11728	2.0
149.09633	3.2
151.11174	3.5
153.09152	1.7
153.12740	1.6
157.10159	3.7
159.08086	1.4
159.11690	3.3
161.09668	3.9
161.13257	1.0
163.11154	4.6
165.09074	1.4
169.12267	0.9
171.11681	1.1
173.09593	1.1
175.11203	1.3
181.12221	2.2
185.13246	1.0
189.11230	7.5
191.10672	2.8
205.12192	1.1
213.16301	1.1
223.13295	3.2
227.12779	2.8
227.17952	1.1
245.18977	1.9
249.14841	3.5
255.17393	1.8
263.19934	1.0
273.15756	1.6
273.18494	17.2
291.19553	100.0
309.20670	5.2
326.82462	0.8
337.27429	2.9
338.27731	18.1
349.12799	0.8
405.07809	0.8
451.27954	1.0
465.23318	0.8
469.29221	1.1
488.08716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1453
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.89384	0.2
53.03934	0.5
55.01870	0.3
55.05489	0.3
57.03408	0.8
61.02932	1.2
67.05482	0.4
69.03432	4.5
69.07030	0.7
70.06559	0.3
70.99802	0.3
71.00126	0.4
71.01334	0.2
71.04970	0.5
73.02879	0.8
78.39404	0.2
79.05460	0.4
81.03438	1.0
81.07066	1.6
83.08562	0.3
85.02908	6.7
87.04427	0.9
91.05460	0.5
93.07007	0.8
95.08067	0.2
95.08592	1.7
97.02897	2.4
99.04426	0.6
101.02370	0.3
105.06985	0.5
105.91833	0.2
106.04079	0.3
107.04975	0.2
107.08565	0.8
109.02851	0.8
109.06505	0.2
109.10184	1.1
109.10785	0.3
119.04909	0.3
119.08563	0.6
121.10106	0.6
123.11695	0.5
127.03913	1.4
133.10085	0.4
135.11685	0.4
137.05977	0.6
145.04921	0.6
145.10229	0.2
147.04420	0.3
147.11711	0.3
149.13239	0.3
159.11707	0.3
161.05957	0.2
163.14749	0.2
167.03415	1.9
179.03342	0.3
191.07042	0.5
193.08566	0.3
203.06946	0.3
205.04979	0.9
206.79428	0.2
209.08177	0.4
219.06505	1.1
233.19121	0.2
243.06503	0.2
247.06046	3.1
251.20102	0.2
257.04456	0.4
258.05350	0.3
269.21133	0.2
273.07462	0.4
275.05542	9.7
288.02924	0.2
289.25061	0.3
299.05624	0.4
301.07062	0.6
303.05023	8.5
304.05563	0.3
307.26331	0.5
313.03296	0.4
314.04184	0.4
314.64969	0.2
315.04895	0.7
316.05881	0.3
317.06561	0.3
328.05890	0.4
329.06638	1.1
331.04501	46.6
332.04684	1.0
345.06027	1.4
346.06851	27.6
347.07501	1.0
359.07672	0.9
361.09186	100.0
362.09500	1.9
385.09109	0.3
403.10248	1.2
486.77856	0.3
523.14520	19.9
524.14526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1451
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
51.23217	0.2
55.05482	0.3
60.12290	0.2
67.05460	0.8
67.39287	0.3
69.03416	0.4
69.07031	0.3
70.06556	0.4
70.90385	0.7
75.42442	0.2
79.05435	0.4
81.03384	0.4
81.07001	1.0
82.53904	0.2
83.08563	0.4
85.02872	0.4
91.05458	0.5
93.07009	0.6
95.04915	0.5
95.08553	0.7
97.02814	0.2
97.06528	0.3
104.10822	0.2
105.07024	0.4
107.04928	0.4
109.02852	0.3
133.10060	0.4
135.11690	0.3
137.05922	0.9
140.04625	0.6
150.03142	1.2
151.03915	0.3
167.03398	4.6
173.85591	0.2
178.02499	0.5
183.02734	0.2
205.05058	0.3
207.03221	0.3
219.06535	0.6
229.04863	0.3
243.06662	0.5
244.07339	0.3
247.06020	1.0
257.04510	0.5
258.05191	0.4
259.05930	0.3
271.05853	0.6
272.06827	1.9
273.07587	0.3
275.05505	3.5
285.03879	0.4
287.05545	0.7
299.05621	0.3
300.06366	1.4
301.07077	0.5
302.04099	0.3
303.04996	6.5
303.08350	0.5
307.26303	0.3
314.04410	0.4
315.05145	1.5
316.05612	0.4
317.06589	2.3
318.07224	1.2
322.54840	0.2
327.05338	0.3
329.06506	1.3
330.03717	0.4
331.04495	7.8
345.06116	5.2
346.06833	39.6
347.07202	1.2
361.09174	100.0
362.09534	2.1
523.14447	1.7
523.27081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.145
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01878	1.1
55.05516	1.1
57.03440	1.1
61.02912	0.9
65.03948	0.8
67.05502	2.4
69.03429	3.1
69.07070	3.3
70.06596	12.7
71.05021	1.1
71.59989	1.4
72.08160	0.9
72.18072	0.7
73.02897	1.7
74.06111	0.8
79.05511	2.0
81.03436	2.2
81.07060	5.5
83.08617	1.1
84.04503	1.3
85.02916	6.2
85.06578	1.0
86.09718	1.8
91.05486	2.8
93.07066	3.0
95.05003	1.1
95.08607	4.8
97.02913	2.4
97.06557	2.7
97.10154	0.8
99.04502	0.9
105.07021	2.1
105.52161	0.8
107.04940	1.0
107.08605	2.1
109.02889	1.6
109.10167	3.2
115.03931	1.3
115.76266	0.8
117.03378	1.9
119.04949	2.8
119.08604	1.8
120.08107	3.2
121.10178	2.6
123.11713	1.7
125.05952	0.9
127.03920	1.4
127.08684	1.4
129.07103	0.9
131.04926	0.9
131.08588	0.9
133.10118	1.1
135.11726	2.0
137.05983	11.1
137.09700	0.9
138.06346	2.1
139.06342	0.7
141.06537	0.8
145.02818	5.2
145.05077	0.8
147.04428	3.1
148.03920	0.8
148.59764	0.7
149.05966	1.0
149.13260	2.4
151.03979	1.0
151.07533	1.2
153.01913	1.8
153.05493	1.3
155.08209	1.2
161.06027	1.3
163.03946	1.0
163.14833	1.1
167.07076	1.7
175.03949	3.0
175.07780	0.8
175.14816	1.4
177.05487	8.7
179.03430	1.0
181.04964	0.8
181.08717	1.1
192.04062	1.0
207.06526	7.4
212.17311	1.4
221.12938	2.2
223.07610	1.1
224.15143	0.8
229.04971	1.4
229.15515	6.7
239.11095	0.7
245.04527	0.8
255.39600	0.9
257.04431	2.6
272.06854	1.3
275.05548	3.0
285.04028	2.6
286.17691	1.6
287.05569	1.2
288.02664	1.8
289.25378	1.0
299.01712	0.9
300.02686	7.9
300.06012	1.8
301.03531	2.2
302.04208	0.8
303.04932	3.3
307.26266	2.1
313.03067	0.9
317.02823	1.0
328.12665	1.0
330.03775	1.0
331.04495	20.7
345.06058	6.0
346.06845	17.4
347.07489	4.7
361.02066	2.8
361.09198	100.0
362.09628	1.6
379.03458	1.2
449.66412	0.8
453.93921	1.0
456.35855	0.8
505.21542	1.7
523.14429	1.6
523.21661	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	523.145
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.52664	0.1
55.05507	0.3
57.03411	0.2
57.07061	0.3
61.02881	0.2
65.03916	0.2
67.05506	0.9
69.03434	2.7
69.07051	0.7
70.03751	0.4
71.04963	0.2
71.60095	0.2
71.60524	0.2
79.05476	0.6
81.03396	0.5
81.07059	2.7
83.05830	0.1
83.08613	0.4
84.96027	0.1
85.02906	1.1
85.06506	0.5
91.05458	0.5
93.07049	1.1
95.04942	0.4
95.08600	1.8
97.02889	0.8
97.06503	0.2
99.08086	0.4
103.05456	0.2
105.07005	0.6
107.04919	0.3
107.08619	0.9
107.09175	0.2
109.02857	0.4
109.06496	0.3
109.10142	1.4
111.08091	0.3
115.03891	0.2
118.04173	0.3
119.04923	0.2
119.08588	0.5
121.02863	0.3
121.06494	0.1
121.10134	1.0
122.03631	0.2
123.08019	0.2
123.11729	0.9
127.03857	0.3
131.04889	0.2
133.04926	0.2
133.10132	0.3
135.04367	0.2
135.07994	0.2
135.11659	0.5
137.02313	0.3
137.05969	2.0
139.03886	0.3
145.02884	0.2
145.06505	0.2
147.04420	0.4
147.11685	0.4
149.02316	0.2
149.13278	0.7
151.03885	0.5
151.07512	0.3
153.01837	1.6
161.05971	0.3
161.13179	0.2
163.03903	0.9
163.11127	0.2
163.14868	0.2
164.04507	0.6
165.01843	0.3
165.05473	0.2
165.07025	0.2
167.06998	0.5
175.14841	0.3
176.04683	0.4
177.05469	0.7
179.03432	0.3
181.04976	0.4
181.08597	0.3
183.02879	0.3
189.09102	0.2
192.04231	0.4
193.05101	0.2
193.15910	1.4
194.16248	1.3
201.05463	0.3
203.06981	0.2
207.06267	0.2
211.16931	0.5
212.17227	0.7
215.03426	0.3
215.07042	0.2
217.04762	0.2
219.02892	0.2
219.06525	0.2
229.04950	1.0
232.03596	0.4
233.04517	0.3
243.02840	0.4
243.06505	0.2
244.07300	0.4
247.06021	0.5
257.04477	2.1
258.05167	0.4
259.06049	0.2
260.03177	0.8
261.04022	0.2
269.04462	0.3
271.02341	1.0
271.05884	1.4
271.24185	0.2
272.06845	0.7
273.07721	0.3
275.05521	3.4
277.25400	0.2
285.03900	2.7
286.04684	0.7
287.05347	0.3
288.02618	1.2
289.25146	0.4
297.04114	0.2
299.01892	1.0
300.02679	8.7
300.06241	0.9
301.03375	2.2
301.07053	0.8
302.04230	0.8
303.05014	5.0
304.04849	0.2
307.26306	1.0
311.05594	0.2
313.03262	1.2
314.04190	0.3
315.04993	1.1
316.02264	1.1
317.02908	0.8
317.06555	1.2
318.07013	0.2
325.27179	0.2
327.05093	0.2
328.05765	0.6
329.06528	1.2
330.03601	0.8
331.04483	22.3
332.05060	0.8
345.06055	7.0
346.06836	22.8
347.07617	0.9
361.09164	100.0
362.09674	1.4
523.14465	2.6
523.21368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1449
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
57.03408	0.7
61.02897	1.3
67.05483	1.2
69.03435	3.6
69.07047	0.6
70.04055	0.5
71.60448	0.6
71.60837	0.6
73.02888	0.6
78.24236	0.4
79.05463	0.6
81.03395	1.5
81.07027	1.6
82.07389	0.5
83.08592	0.5
85.02907	5.6
87.04459	0.6
91.05459	1.5
93.07021	1.1
95.04951	0.7
95.08573	1.3
97.02880	2.1
99.04419	0.6
105.07008	0.9
107.08597	0.8
109.02811	0.9
109.10114	1.3
119.08555	0.5
126.27483	0.5
127.03884	1.0
132.33656	0.5
133.06526	0.7
133.10109	0.6
135.11746	0.8
137.05943	2.1
139.03841	0.5
140.04674	0.5
142.60139	0.5
145.21278	0.4
147.11635	0.5
150.03107	1.4
151.03871	0.8
153.05408	0.7
157.10184	0.7
160.97313	0.7
163.07558	0.9
167.03421	4.4
178.02525	0.8
179.06979	0.4
181.04916	0.5
188.96855	0.6
189.09042	0.4
219.06631	0.6
229.05000	0.6
243.85687	0.5
244.07298	0.5
257.04523	0.8
258.00159	0.8
259.00323	1.3
265.08618	0.5
271.06030	0.7
272.06848	3.0
275.05542	3.1
283.06213	0.5
286.04675	0.6
287.05414	0.8
289.24905	0.6
300.06265	1.7
301.07080	1.0
303.05002	6.4
314.04520	0.7
315.04849	1.1
317.06619	2.4
318.07425	1.5
329.06534	1.8
331.04526	6.7
331.08304	0.7
345.05957	4.5
346.06851	41.0
347.07355	1.8
357.06177	0.5
359.07776	0.7
361.09204	100.0
362.09467	1.9
403.10144	1.1
417.28754	0.6
523.14502	18.0
523.30090	0.7
524.15118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1452
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.05504	0.7
67.05508	1.3
69.03437	0.3
69.07056	1.2
70.06581	0.6
70.78162	0.7
70.78527	0.8
71.05000	0.4
71.34337	0.3
79.05481	0.9
81.03435	0.3
81.07065	4.8
82.43649	0.3
83.08632	0.8
85.02900	1.0
85.06573	0.3
88.17329	0.3
88.36272	0.4
91.05487	0.6
93.07073	2.6
95.04968	0.5
95.08629	2.9
97.02905	0.4
97.06570	0.5
99.04485	0.4
105.07041	1.0
107.08608	1.8
109.10160	1.9
111.08088	0.6
114.10324	0.5
118.04156	0.4
119.08549	0.7
121.10171	1.0
123.11713	1.5
133.02885	0.4
133.10136	0.8
135.11705	1.0
137.06003	1.3
137.09660	0.4
137.13260	0.6
139.03810	0.5
146.24004	0.3
147.04449	0.5
147.11705	0.7
149.13284	1.9
153.01843	3.8
153.12729	0.4
163.03935	0.6
163.14847	0.8
164.04689	2.7
165.05515	0.6
165.45837	0.3
167.07048	0.7
175.14839	0.6
177.05486	0.4
179.03407	0.6
181.05011	0.6
192.04111	1.1
194.05713	0.6
203.07011	0.4
229.04910	0.8
243.03056	0.6
247.05937	0.6
257.04538	1.4
258.05139	0.7
260.03284	0.6
269.04379	0.4
271.02435	0.5
271.06076	0.9
272.06815	0.7
273.07483	0.4
275.05560	2.4
285.04010	1.5
286.04724	1.2
287.05554	1.1
288.02725	0.4
289.25342	1.0
299.02036	0.5
299.05606	0.5
300.02695	4.2
300.06052	0.5
301.03381	1.0
301.06964	0.9
302.04080	0.5
303.05038	2.7
306.05121	0.8
307.26303	1.5
314.04080	0.7
315.05005	2.8
316.05405	0.4
317.03171	0.4
317.06488	0.7
318.07379	1.1
327.05167	0.5
329.06631	0.8
330.03757	0.5
331.04617	4.2
331.08270	0.7
339.08722	0.8
345.06094	3.4
346.06870	35.3
347.07446	1.3
361.09201	100.0
362.09653	2.5
389.36230	0.4
391.10400	0.9
523.15137	3.5
523.31531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1085
Annotation	Spinatoside
Peak:m/z	Relative Intensity
57.03436	1.4
67.05487	0.5
68.99780	0.5
69.03424	0.5
69.07060	0.6
69.48355	2.1
71.01346	1.6
72.42253	0.2
73.02924	3.6
79.05481	0.3
81.07066	1.6
83.08625	0.2
85.02905	10.3
85.73395	0.2
93.07026	0.4
95.01337	1.7
95.08618	1.1
97.02881	0.5
99.00806	0.7
101.02372	0.6
103.03941	0.5
105.03446	0.3
107.04925	0.3
107.08588	0.6
109.02832	0.3
109.10156	0.8
111.00804	0.6
111.04381	0.3
111.08067	0.4
113.02370	3.8
121.02865	1.0
121.10100	0.3
123.04438	0.3
123.11720	1.0
125.05975	0.3
131.03421	2.3
133.02788	0.3
134.03670	0.3
137.02330	0.9
139.02895	0.4
139.03902	3.5
141.01811	2.6
149.13261	0.3
150.03116	0.9
153.01828	7.7
153.05466	5.4
153.06674	0.2
154.06247	1.0
159.02863	1.4
163.03976	0.5
165.01834	2.8
178.02628	0.4
181.04980	1.8
183.02905	0.8
189.05424	0.3
194.01982	0.3
196.70978	0.2
207.02922	0.3
207.06488	1.0
213.05408	0.6
216.04137	0.7
217.05002	0.3
229.05029	1.6
230.05759	0.8
231.06564	0.9
233.04637	0.3
241.04936	0.8
243.02872	0.7
244.03705	1.7
245.04524	0.4
255.02974	0.7
257.04391	1.3
258.05273	6.6
259.05963	2.5
261.03928	0.5
269.04443	1.9
272.03198	0.6
273.03983	0.3
283.02368	0.7
284.03116	0.6
285.03888	1.7
286.04736	5.8
287.05515	10.2
289.03461	1.2
289.25311	0.4
291.08643	2.8
297.03632	0.3
300.02695	0.7
301.03351	0.6
302.04169	0.6
303.05038	3.4
307.26254	0.9
313.03345	0.8
314.04056	1.3
315.04980	3.9
316.05872	0.4
317.02835	0.7
318.07388	0.9
331.04510	6.3
332.01328	0.4
332.05298	7.6
346.06921	0.9
347.07611	100.0
348.08127	1.7
361.09268	1.2
432.76202	0.3
446.94699	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	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05503	1.2
56.05027	1.2
57.07086	0.5
58.06603	1.2
59.39563	0.2
60.08163	15.5
65.03934	0.3
67.05500	1.5
69.07071	1.7
69.51982	0.8
69.52402	1.6
71.07375	5.8
71.08575	0.3
72.10226	0.2
79.05495	0.7
81.07063	1.4
83.08618	1.1
86.09705	46.6
93.07043	0.7
93.94176	0.2
95.08601	1.4
97.10190	0.9
98.98468	3.0
104.10741	96.8
105.11058	0.3
107.08611	0.6
109.10137	0.5
121.10152	0.6
125.00002	25.4
126.84976	0.3
135.11688	0.3
143.01048	0.5
163.01508	0.7
168.28552	0.3
181.02577	0.3
184.07339	100.0
185.07715	0.7
190.96144	0.3
201.62494	0.3
258.11087	1.0
260.67010	0.3
339.29050	1.2
447.36517	0.3
477.79187	0.3
504.34485	10.5
522.35541	45.9
523.23657	0.4
523.35944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01840	0.6
55.05510	3.2
55.75201	0.5
57.03223	0.6
57.03436	5.6
59.04999	2.8
61.02918	0.9
65.03935	0.6
67.05495	2.5
69.03430	22.1
69.07068	5.5
70.06593	1.2
70.74947	2.1
71.04997	3.9
73.02909	0.8
75.04467	0.6
79.05485	3.1
81.03416	2.1
81.07061	7.6
83.04981	0.7
83.08611	4.5
85.02905	17.2
85.06547	0.8
87.04472	16.7
91.05456	1.8
93.07052	6.7
95.04962	2.6
95.08614	8.1
97.02892	21.1
97.06527	10.3
97.10239	0.7
99.04440	0.8
99.08089	0.8
103.03954	0.7
105.07012	3.8
107.08604	5.9
109.02885	1.4
109.06525	6.2
109.10182	5.2
111.04427	0.7
111.08080	1.2
111.11720	0.9
114.10281	2.3
115.03938	28.5
115.07575	1.7
119.08584	7.1
121.10145	5.5
123.04433	0.7
123.08069	3.9
123.11715	10.4
127.03883	2.8
131.08531	0.6
133.04967	25.9
133.10138	16.4
134.42128	0.5
135.11699	14.0
137.05986	0.9
137.09573	3.0
137.13239	0.8
139.03807	0.7
145.04964	3.2
147.11615	1.2
149.06075	0.6
149.13266	13.6
151.11134	0.6
153.12753	0.7
155.10608	1.0
159.05672	0.7
160.97351	1.7
169.05063	1.0
175.14835	21.1
177.05400	0.7
181.04959	0.9
191.06982	0.6
193.15883	41.7
207.06606	0.9
209.15359	1.3
211.16934	100.0
212.17244	1.1
241.06958	1.7
258.00070	3.9
259.08124	1.8
277.09180	1.3
295.10272	3.3
347.07602	0.6
360.06940	4.4
361.08496	0.7
373.21896	0.7
533.29425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69685	0.6
53.03938	1.1
54.11255	0.6
55.05502	1.0
56.96576	0.6
57.03431	2.1
57.07145	0.6
58.61942	0.6
61.02922	0.8
67.05505	2.8
69.03430	100.0
69.07071	1.9
70.03790	0.6
70.06595	1.5
71.04989	1.1
71.59985	0.7
73.02913	1.9
74.06099	0.9
77.34254	0.6
79.05511	2.5
81.03415	2.2
81.07064	3.3
81.61810	0.6
83.04971	0.8
83.08640	0.7
84.04482	1.0
85.02912	8.7
87.04478	4.8
91.05480	1.4
93.07035	1.6
95.04980	1.5
95.08575	3.5
97.02916	7.6
97.06535	2.5
98.97587	1.1
99.04527	1.0
99.08120	2.0
102.63969	0.7
105.06993	1.1
106.96697	0.6
107.04940	1.0
107.08629	2.7
109.02912	1.5
109.06509	1.1
109.10164	3.7
111.04450	1.6
111.08085	2.3
114.42204	0.6
115.03931	7.3
116.98556	0.7
119.04967	0.7
119.08585	1.9
121.02876	0.8
121.10166	2.3
123.11740	2.5
125.09681	1.3
127.03937	2.5
131.04855	0.7
131.08559	1.1
133.04964	5.9
133.10155	1.9
135.04411	1.5
135.11734	1.6
137.05959	4.4
137.09695	0.9
139.03906	0.9
145.02823	1.7
145.04973	1.2
147.04434	2.0
149.05963	1.0
149.13219	0.9
150.07683	2.1
151.03940	1.7
153.01875	1.3
153.05466	1.2
159.11700	1.2
163.03917	14.9
164.04729	1.1
167.07095	0.9
173.84683	0.6
175.03964	0.7
175.14816	1.5
177.05534	2.5
183.02872	0.8
184.07446	0.8
193.15883	75.0
195.13882	1.0
197.08246	0.8
201.05634	0.7
207.06578	1.0
211.16934	42.5
222.00755	1.6
237.02809	0.7
240.01913	1.4
240.16144	0.8
251.09180	1.6
257.04590	1.9
275.05530	2.3
282.16101	0.9
295.10321	0.9
296.18658	1.5
300.02835	3.5
300.06015	1.0
301.03488	0.9
303.04932	3.9
315.04968	1.2
316.02148	0.9
328.05698	0.8
329.06741	2.3
331.04514	13.6
342.06631	1.0
345.06021	3.6
346.06845	25.4
360.08081	1.0
361.09186	74.6
508.62164	0.7
522.20129	3.0
523.14392	3.5
532.41083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82775	0.2
56.05037	0.5
57.64020	0.2
58.06359	0.2
58.06618	0.5
59.07389	0.2
60.08166	5.6
69.07061	0.5
69.99527	0.4
69.99947	0.5
71.07376	2.8
83.08614	0.2
84.27539	0.2
86.09707	27.8
87.10037	0.2
89.15578	0.2
91.40174	0.2
95.08569	0.4
97.10206	0.2
98.98464	2.6
103.59108	0.2
104.10742	2.9
106.18042	0.2
121.96919	0.2
125.00008	18.4
143.01022	0.3
155.93745	0.2
179.39284	0.1
184.07346	100.0
185.07588	0.3
258.11029	0.2
307.75592	0.2
504.34567	1.2
522.35675	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	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64220	0.5
53.03932	0.7
55.01877	0.7
55.05503	2.3
57.03433	6.6
57.07059	0.7
59.04987	2.4
61.02923	1.0
63.59094	0.5
67.05511	2.9
69.03430	22.9
69.07069	6.2
70.04068	1.8
70.06567	1.1
70.73672	1.0
70.73996	0.8
71.04996	3.2
72.08138	0.6
73.02924	0.8
75.04474	1.1
79.05493	1.8
81.03405	1.8
81.07058	6.7
83.04959	1.0
83.08608	3.9
85.02907	17.5
85.03429	0.9
85.06536	1.7
87.04469	15.4
91.05478	1.7
93.07027	4.3
95.04972	1.4
95.08606	8.8
97.02893	21.8
97.06533	9.7
97.10172	0.6
99.04466	1.4
99.08086	0.8
100.11214	0.7
103.05452	0.5
105.07042	4.4
107.08600	6.0
109.02874	1.4
109.06522	6.0
109.10158	5.1
111.04496	0.7
111.08066	1.1
111.11738	1.4
112.08672	0.6
114.09168	0.6
114.10294	1.8
115.03933	25.1
115.07556	2.0
119.05013	0.6
119.08582	8.7
121.06507	0.8
121.10151	5.4
123.04426	0.6
123.08070	5.1
123.10913	0.9
123.11720	7.7
125.09605	0.9
127.03939	2.8
131.08531	0.7
133.04967	25.1
133.10133	17.2
135.10674	0.9
135.11690	14.4
136.94371	0.5
137.05972	1.7
137.09583	3.4
137.13223	1.0
145.04961	3.1
147.11671	1.5
149.13261	12.5
151.03885	0.8
153.12740	2.4
155.10667	0.7
160.97316	4.8
163.81190	0.6
169.04955	0.9
175.14828	23.5
176.15225	0.7
177.05504	1.0
188.96858	1.6
193.15877	48.4
194.16318	0.6
207.06567	1.0
211.16936	100.0
212.17215	1.4
215.42676	0.6
217.06900	0.6
241.06921	1.2
258.00140	12.9
259.00439	0.9
259.08090	2.6
277.09222	1.2
295.10318	3.5
296.05743	0.6
343.21140	0.9
354.24011	0.7
360.06903	8.7
361.09045	1.2
375.23679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.4
56.05016	2.4
56.96554	2.4
57.03440	10.7
59.05001	2.7
65.03950	2.0
67.05507	13.9
69.03075	2.5
69.03435	35.8
69.07065	16.0
70.06593	25.4
71.04987	3.3
71.60063	3.4
73.02919	2.2
73.97776	1.7
74.06074	2.4
79.05495	3.7
81.03423	4.7
81.07063	14.9
83.04977	6.7
83.08616	5.8
84.04498	4.2
85.02908	29.1
85.06530	3.1
86.09705	5.3
87.04461	17.1
89.03885	1.7
91.05466	8.1
93.07059	8.5
95.04982	2.0
95.08609	29.9
97.02901	38.4
97.06536	2.5
97.10175	3.1
98.09717	2.6
98.97588	2.9
99.08096	5.3
105.07032	8.1
107.08605	15.4
109.02871	3.1
109.06506	5.5
109.10159	70.2
111.08104	3.2
113.09586	2.1
115.03928	33.8
116.98603	1.9
117.03410	5.2
119.04970	3.0
119.08577	28.0
120.08100	5.0
121.10159	18.5
123.08083	12.8
123.11700	10.7
127.03947	4.4
127.08638	4.3
133.04982	18.2
133.10124	26.6
135.11700	54.9
137.05968	20.5
137.09599	17.1
138.06360	3.0
139.11183	3.0
145.02867	12.3
145.04889	2.1
147.04428	11.9
147.11633	2.1
149.05969	2.5
149.13257	5.9
150.07639	2.4
151.03899	2.8
151.11198	3.6
151.14821	7.1
153.05475	2.2
153.12694	2.3
155.08055	2.3
161.05986	2.2
165.16393	2.0
167.06990	2.8
175.04001	3.1
175.14833	55.1
177.05489	28.7
178.05913	2.0
181.12180	2.0
193.15887	63.9
207.06519	7.1
211.16942	89.9
221.12823	3.2
222.00638	2.1
229.15463	11.8
247.05991	2.6
271.06271	2.5
272.06760	5.9
275.05438	3.2
277.09073	2.1
285.04004	3.2
286.17679	3.4
300.02600	6.4
300.06186	7.7
303.05118	3.8
328.05847	3.4
331.04468	18.3
342.06436	3.6
343.15497	2.5
345.05969	5.7
346.06830	16.8
347.07651	5.7
360.07858	8.8
361.09186	100.0
375.17896	5.7
384.24106	2.5
522.22284	3.0
523.14294	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	522.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01862	0.6
55.05267	0.7
55.05514	10.2
56.05021	0.4
57.03439	6.5
57.07071	1.1
59.04998	0.4
60.04516	0.8
60.08165	2.2
61.16490	0.5
65.03942	1.0
67.05505	25.0
68.05817	0.6
69.07068	13.6
71.04980	1.1
71.07368	1.3
71.08613	1.3
71.60610	0.6
71.61290	0.4
73.02912	0.4
79.05485	5.0
81.07057	24.9
82.07401	0.6
83.04980	0.7
83.08620	7.1
85.06527	0.5
86.09710	10.7
87.10036	3.2
88.03988	5.7
91.05470	4.6
93.07047	6.9
95.08610	17.9
97.06542	1.7
97.10165	3.2
98.98465	5.7
99.08084	0.8
102.43821	0.4
104.10744	1.2
105.07033	2.8
106.05030	1.8
107.08608	3.1
109.06509	0.5
109.10154	7.3
111.08079	0.8
111.11756	0.6
119.08578	2.9
121.10150	3.4
123.08057	0.6
123.11732	2.9
124.99187	0.8
125.00008	6.9
126.00358	1.4
127.00428	1.4
133.10138	3.4
135.11697	1.7
137.09599	0.5
137.13254	1.2
147.11664	1.2
149.13272	0.8
151.11211	0.4
153.12781	0.5
155.01027	1.0
161.13284	1.0
163.14809	0.8
173.02087	1.0
175.14839	0.8
184.07343	31.8
185.07703	11.2
186.07782	9.5
242.04469	0.5
260.05460	0.6
263.23636	1.5
286.52826	0.4
294.21271	0.5
337.27368	100.0
338.27628	2.0
350.27072	2.0
363.79648	0.4
437.77655	0.5
504.32941	0.6
507.99265	0.4
522.34906	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	522.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00700	0.7
53.03942	0.8
55.01863	1.1
55.05518	12.7
57.03446	7.2
57.07057	2.2
66.04781	0.7
67.05505	28.0
69.03424	1.0
69.06717	1.2
69.07067	14.2
70.79791	2.4
71.04994	1.1
71.08635	1.3
74.75636	0.8
77.29610	0.7
79.05505	6.4
81.07056	25.2
81.14899	0.8
83.04985	1.2
83.08620	9.1
85.06526	1.1
88.03989	6.1
90.38432	0.7
91.05473	4.8
93.07031	7.8
95.04995	1.0
95.08047	1.5
95.08610	19.3
97.06521	1.6
97.10155	4.1
98.98463	3.7
105.07024	2.2
107.08572	3.6
109.10158	7.4
115.06384	0.8
119.08578	3.6
121.10146	3.0
123.11674	2.9
124.93761	2.9
125.09629	1.7
126.38016	0.8
133.10133	3.5
135.11656	1.0
137.13222	1.0
147.11710	2.2
155.01189	1.0
161.13245	1.5
161.46931	0.8
163.14813	0.9
167.98007	1.3
173.02142	0.8
184.07355	1.8
205.63042	0.8
220.38382	0.8
263.23715	1.4
337.27377	100.0
338.27725	1.8
350.26990	2.0
504.33954	1.0
522.25714	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	522.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05516	1.2
56.96557	1.4
57.03437	2.3
61.02911	1.3
61.31691	1.1
67.05499	4.1
69.03441	2.1
69.07079	1.6
69.42595	9.9
70.06583	3.4
71.04993	1.3
73.02909	3.3
74.06081	2.7
78.01377	1.0
79.05496	1.7
81.03422	1.7
81.07059	3.9
85.02910	4.8
85.06536	1.2
86.09717	2.5
91.05486	4.0
92.07109	3.7
93.07043	2.6
95.04949	1.5
95.08591	3.0
97.02881	3.2
103.05492	1.9
105.07016	2.1
107.04948	4.1
107.08591	1.4
109.02889	1.3
109.06532	1.1
109.10155	2.1
115.03943	1.0
116.01690	1.2
117.06992	1.1
117.22784	1.0
119.04943	3.2
119.08557	1.8
121.06492	1.8
121.10132	1.5
123.11700	1.2
125.05959	1.1
131.04973	2.4
137.02405	1.1
137.05966	13.0
137.74136	1.0
138.06311	1.5
145.06490	1.8
146.07303	1.2
147.04404	10.8
151.07549	1.6
152.79184	1.0
153.05374	2.5
156.03647	1.9
161.05984	10.5
161.09633	2.0
162.02240	1.7
163.03802	1.9
163.07579	3.4
165.06967	1.5
167.07042	8.4
168.07774	4.3
174.06761	1.6
175.07529	2.6
175.14885	1.5
177.05493	2.6
177.09099	6.0
179.07004	1.1
179.08536	1.5
181.04849	1.4
189.09099	3.3
190.07770	1.4
191.07019	1.3
193.08627	1.7
193.15971	2.7
194.07243	1.2
195.07994	1.7
207.08051	3.0
207.10170	7.0
208.08855	2.1
209.09618	1.2
210.06657	1.5
214.78174	1.2
220.08600	1.2
223.07610	2.3
224.08058	8.0
225.09122	3.5
233.09694	2.0
235.07529	4.4
236.08386	2.3
237.09238	2.1
238.06282	1.1
239.06935	2.0
240.07898	1.3
247.07533	1.5
249.09155	2.8
250.06274	1.3
250.09859	1.9
251.07021	2.6
251.10834	2.1
252.07852	1.3
253.08661	4.3
254.09256	1.1
255.06555	1.1
255.10394	1.1
261.09335	2.1
263.07050	2.0
264.07849	2.0
265.08560	3.5
266.05646	1.2
266.09073	1.4
267.06451	1.5
267.10220	2.9
268.10968	1.6
269.08090	1.1
278.09412	1.3
279.10147	2.9
281.08124	3.2
282.08881	2.5
283.09659	3.0
284.10239	1.4
285.11163	1.9
288.70477	1.1
293.08414	1.6
293.11691	1.9
295.09692	2.4
296.07242	1.0
296.10474	3.7
297.11353	5.6
298.08286	3.1
299.08673	2.6
302.07513	1.0
307.09558	1.3
308.10275	1.3
309.11380	1.8
310.11722	1.3
311.09122	3.3
311.12814	5.8
313.10709	4.0
316.13202	1.6
322.11768	1.3
324.10095	3.2
324.25305	5.0
325.10663	5.2
326.11588	5.1
327.08231	1.1
327.12064	1.9
328.13101	2.7
329.13913	1.3
331.15546	1.3
339.12189	3.3
340.12997	10.5
341.13870	26.5
342.14175	1.9
342.26358	8.5
343.15439	1.2
344.08609	1.7
345.09497	1.5
347.07489	2.1
357.13373	17.9
359.11163	4.3
359.14963	4.9
360.07593	2.0
360.11536	13.1
360.15720	14.9
360.27548	1.2
361.09103	2.1
372.15695	100.0
373.16135	2.5
375.17957	3.0
389.13934	2.6
465.56375	1.1
522.22388	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
57.03433	4.2
58.99591	3.9
61.02921	7.0
66.70720	1.9
69.03432	15.8
70.06586	7.1
71.04988	3.6
71.59102	2.1
71.59505	3.2
79.05503	2.1
81.03422	8.9
81.07053	10.8
82.07388	2.5
82.53736	1.9
84.04521	3.8
85.02911	43.6
86.09715	2.7
87.04461	3.2
91.05483	3.5
93.07072	4.4
97.02895	13.2
99.04459	4.9
99.08113	2.9
103.05482	6.5
105.07082	2.2
106.79559	2.0
107.04935	4.6
107.08565	3.2
109.02885	4.7
109.06513	2.1
115.05470	2.2
116.01670	3.8
117.03405	2.9
119.04990	2.6
121.06501	13.0
125.05980	2.6
127.03899	8.8
129.07005	8.0
131.04909	4.7
131.08519	2.5
137.05975	45.2
140.04681	19.9
145.04964	16.1
147.11801	2.2
149.05983	20.0
151.03983	2.5
153.05479	10.4
157.06502	6.4
159.08023	3.1
162.02132	5.5
163.06047	5.2
163.07544	5.0
167.07033	3.8
169.06485	2.8
174.06773	9.3
175.07585	21.6
177.00650	2.3
177.05508	2.4
181.04880	3.4
181.08591	88.1
187.07559	17.6
189.09073	19.8
191.08566	3.2
197.11655	2.5
198.12131	3.0
200.08299	2.6
201.09209	3.6
203.08603	5.3
217.06581	3.7
217.08536	4.7
218.07378	3.0
219.08038	11.7
219.10185	35.4
231.08025	11.2
233.09566	3.5
234.06799	4.8
236.08342	4.2
237.09102	4.1
240.07719	2.9
246.06575	4.1
247.07587	13.3
248.08321	9.8
249.08942	8.3
251.10652	5.4
253.08624	2.9
259.07529	4.1
261.09174	15.5
262.06293	2.8
263.10562	14.0
264.07776	6.3
265.08633	8.0
269.08130	16.3
275.10809	3.1
276.07870	5.6
277.08530	33.8
278.09375	5.5
279.10205	28.6
280.10846	2.7
284.10492	19.5
291.10159	31.1
292.10757	6.8
293.11682	9.4
296.10425	6.8
297.11249	8.5
305.11807	2.9
308.10565	3.5
309.11252	70.6
310.11777	6.4
311.12772	40.7
312.12869	2.7
322.12067	16.0
323.12680	6.7
324.13431	9.7
325.14194	5.1
327.12241	5.2
341.13852	100.0
342.14331	23.1
360.15576	3.0
361.09106	3.2
393.15298	3.3
432.19254	6.4
473.18219	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	521.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
53.81303	1.5
55.01865	3.4
55.05505	6.0
55.93802	1.8
56.06961	1.6
57.03419	2.3
57.07075	10.0
59.04989	1.8
67.05504	17.5
68.99796	1.9
69.06729	2.8
69.07073	45.2
69.43723	15.6
69.44139	3.9
70.44495	1.6
71.04964	2.0
71.08622	7.5
76.10358	1.8
79.05501	13.2
81.03385	4.4
81.07066	15.5
83.01342	3.7
83.04950	3.4
83.08620	7.0
85.06574	2.0
85.10182	4.3
91.05468	10.6
93.07034	10.6
95.04971	3.5
95.08608	16.1
97.10174	3.3
98.21460	2.9
105.07040	6.8
107.04956	4.9
107.08579	5.5
109.06509	4.4
109.10150	6.6
117.07054	2.4
119.08582	4.0
121.06485	5.4
121.10162	4.5
123.04449	22.9
123.08042	5.4
133.10147	3.3
135.04422	2.6
135.08055	5.6
135.11708	4.9
137.05978	55.9
145.10121	3.9
147.04405	6.5
147.08060	2.0
149.05989	26.8
149.09592	3.7
149.13148	2.2
151.07547	37.1
159.08072	2.6
161.05983	4.3
163.07553	100.0
163.11139	3.6
170.30414	2.0
175.07553	9.2
177.07616	4.1
177.09122	68.3
177.10658	4.1
181.12172	1.9
189.09088	11.7
191.10686	27.0
193.12267	2.7
203.10693	7.8
205.12259	5.6
209.11711	3.7
211.13319	2.1
217.12239	4.6
227.12819	3.9
228.40468	1.9
231.13794	5.5
245.15437	3.5
275.20090	2.1
379.11908	2.0
415.30255	1.8
453.29733	1.9
465.30066	38.6
510.90131	2.3
519.68030	2.2
521.28546	5.0
521.37866	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01848	2.6
55.05513	12.1
57.03409	2.4
57.03670	0.6
57.07078	23.7
65.03915	2.2
67.05507	23.1
69.03416	1.0
69.07072	9.7
71.04978	1.9
71.08633	15.8
71.59597	1.3
73.02909	1.1
79.05495	22.1
81.03410	4.7
81.07060	23.8
83.04959	2.7
83.05418	0.8
83.08141	0.9
83.08619	11.5
85.10187	9.0
86.60856	0.6
89.71635	0.6
91.05480	7.0
93.07049	30.4
93.39558	0.6
95.04970	7.7
95.08611	41.6
97.02902	3.7
97.06519	3.9
97.10179	4.5
99.04463	3.1
103.05453	0.9
105.07031	6.9
107.04947	7.9
107.08598	20.1
109.06529	1.3
109.09481	0.7
109.10165	9.6
111.08054	1.1
117.07008	8.1
119.08570	7.4
121.06532	3.6
121.07243	0.7
121.10146	9.7
123.11707	2.4
125.05970	1.8
125.13110	0.7
127.91228	0.6
128.01901	0.6
130.07767	1.6
133.10130	2.3
135.08020	1.7
135.11693	36.9
137.13229	1.7
139.07492	1.0
145.09039	1.2
145.10123	20.5
153.12715	2.0
163.11185	43.7
173.09644	0.9
181.12236	10.6
191.10626	1.6
203.09671	0.7
209.11717	2.4
227.12785	100.0
239.23796	3.4
265.14374	1.4
267.15884	0.9
291.56552	0.8
313.27301	2.0
503.37274	1.7
521.38409	91.1
522.38898	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	521.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.05515	9.8
57.03430	3.7
57.07078	5.2
59.04989	2.2
61.02923	2.8
65.03939	2.6
67.05508	37.9
67.05865	2.1
69.03412	14.3
69.07069	20.9
69.68664	11.4
70.03725	3.2
70.04075	22.1
70.06586	3.1
71.04997	6.4
74.13506	1.6
79.05489	10.7
81.03399	7.2
81.07060	72.4
82.04070	8.1
83.04967	2.6
83.08617	10.0
85.02899	20.6
85.06534	10.0
87.04474	8.4
87.15554	1.8
91.05459	12.9
93.07049	38.3
94.04221	2.4
95.04971	16.4
95.08610	37.9
97.02910	13.4
97.06520	5.5
97.10159	4.4
98.97665	1.8
99.08099	2.5
100.05107	7.8
105.07041	19.2
106.07378	3.1
107.08586	24.2
109.02860	5.8
109.06543	4.0
109.10161	69.3
111.08068	4.8
111.11698	3.5
115.03941	6.9
116.04305	1.8
117.07049	3.2
119.08583	18.6
120.02117	1.6
120.08899	2.8
121.10136	34.6
123.08089	2.1
123.11693	26.6
125.09602	2.3
127.03979	3.9
127.07551	3.2
127.11196	2.6
128.04482	2.3
131.08560	7.4
133.05013	4.9
133.10110	13.5
134.10483	3.0
135.11685	17.8
137.05948	7.3
137.09624	2.9
137.13237	6.0
139.11134	3.8
141.05463	3.0
145.04968	2.3
145.10120	7.8
147.11691	24.0
148.12021	8.4
149.13283	15.2
151.03934	1.9
151.11192	2.3
158.97630	22.2
159.11707	6.9
159.98003	9.3
160.97322	26.0
161.06073	3.0
161.13235	3.2
163.14844	3.7
165.12718	4.9
169.04965	10.3
173.11833	3.1
173.13219	10.0
174.13597	5.0
175.14810	11.7
176.15150	8.6
177.05508	4.5
177.12799	4.0
177.16391	3.3
177.96159	1.9
181.12285	2.0
183.13815	2.2
184.07339	10.7
186.97144	5.1
187.13306	3.7
187.97533	2.2
188.96840	12.6
191.14308	13.3
192.14641	10.9
193.08705	3.1
195.13834	6.3
203.17911	2.9
213.16359	5.1
219.85767	1.9
238.15945	1.9
256.00415	42.5
257.00702	37.4
258.00113	100.0
269.22681	7.3
275.23868	2.9
275.69229	1.8
277.25314	4.4
287.23682	25.1
293.24753	7.8
305.24756	51.9
323.25751	23.7
358.07242	15.2
359.07498	41.5
360.06915	67.5
521.19434	4.3
522.12469	5.0
542.28302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
53.11207	1.3
55.02985	2.7
55.05507	11.2
56.96561	1.3
57.03431	5.6
57.07084	7.0
59.04999	1.9
61.02951	3.7
63.54795	1.5
65.03938	1.9
65.96949	1.3
67.05168	2.4
67.05512	37.7
69.03432	16.8
69.07073	18.2
70.03751	3.3
70.04086	27.5
70.06578	2.4
70.93604	2.8
70.93946	2.7
71.01362	1.9
71.04398	1.5
71.04990	6.6
73.02913	2.0
79.05493	12.2
81.03423	3.6
81.07061	69.5
82.04080	7.2
83.04968	2.7
83.08609	6.9
85.02917	20.4
85.06543	14.9
86.03249	2.7
87.04484	7.1
91.05473	9.5
93.07057	34.7
95.04987	12.4
95.08611	37.0
97.02895	13.5
97.06535	5.3
97.10176	4.0
98.03223	2.0
98.20819	1.6
99.04454	1.7
100.05134	7.3
104.32023	1.4
105.07024	20.2
105.07662	1.8
106.07371	3.0
107.04949	2.3
107.08604	22.1
109.02923	3.0
109.06510	4.8
109.10165	73.9
111.08096	3.1
111.11732	2.1
115.03960	9.1
116.04241	2.8
119.08584	19.6
120.08929	2.9
121.06518	2.4
121.10144	36.1
123.08026	2.0
123.11724	27.4
125.13291	2.5
127.03915	5.0
127.07594	1.9
127.11182	3.2
131.08578	4.7
132.08931	3.0
133.04968	8.7
133.10141	14.1
134.10483	4.0
135.08072	1.8
135.11681	11.0
135.18388	1.4
137.06035	6.9
137.09660	1.9
137.13277	6.0
139.11179	3.1
145.04926	2.1
145.10132	6.8
147.04388	1.8
147.11700	27.6
148.12051	12.4
149.06001	2.0
149.13249	16.2
151.03938	2.4
151.11189	3.2
153.12753	2.0
154.08640	3.4
155.10616	1.9
158.97653	17.9
159.11699	8.6
159.97966	10.1
160.76863	1.4
160.97340	30.3
161.09621	1.6
161.13284	5.3
163.07507	1.7
163.11227	2.9
163.14780	3.5
165.12802	4.6
167.07068	1.9
169.05003	7.7
169.12210	2.1
173.13235	13.7
174.13599	10.5
174.23103	1.5
175.14835	11.8
176.15160	10.2
177.05542	3.6
177.09146	2.5
177.12813	4.2
177.16405	2.3
181.12289	3.8
184.07329	6.8
186.97128	6.3
187.13300	2.4
187.97452	3.1
188.96799	12.4
189.16368	2.5
191.14323	15.8
192.14665	15.7
195.13797	7.6
211.16858	1.8
213.16486	2.7
256.00406	46.3
257.00732	38.0
258.00125	100.0
262.61545	1.5
269.22607	4.6
275.23587	2.5
277.25256	4.7
287.23654	18.7
293.24707	7.7
299.06473	1.7
305.24768	40.9
311.25812	4.5
323.25888	20.6
346.45706	1.6
358.07251	15.5
359.07544	41.7
360.06952	84.5
416.19785	1.6
511.49875	1.7
521.12689	1.8
522.12177	3.9
541.27844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1659
Annotation	Quercetin 5,7,3',4'-tetramethyl ether 3-galactoside
Peak:m/z	Relative Intensity
55.01812	0.3
57.03392	0.4
57.28839	0.2
61.02860	0.6
67.05447	0.5
69.03345	1.0
69.06989	0.3
69.83338	1.6
70.06509	0.3
71.04932	0.3
79.05423	0.3
81.03355	0.6
81.06957	0.7
85.02807	3.0
91.05417	0.3
93.06976	0.4
95.04911	0.4
95.08509	0.6
97.02872	1.2
107.08580	0.2
109.02796	0.5
109.10051	0.3
113.50951	0.3
119.26752	0.2
121.02791	0.5
123.11649	0.3
127.03866	0.6
133.10049	0.2
137.05934	0.3
149.02208	0.3
149.13145	0.3
151.03825	0.4
157.79416	0.2
165.05417	0.4
167.03462	1.6
179.03377	0.5
227.07022	0.3
243.06601	0.3
245.08066	0.9
255.06487	0.9
256.00360	0.3
257.00702	0.4
258.00037	0.3
258.05151	0.7
267.06085	0.3
269.07642	0.2
272.06799	0.4
273.07553	2.0
283.06058	2.5
285.07712	1.2
286.04788	1.5
297.03845	0.8
298.04886	0.6
298.08475	0.5
299.05493	1.2
300.06104	0.5
301.07089	18.9
302.07233	0.3
305.24615	0.4
311.05551	0.5
313.07025	1.2
314.04266	0.3
315.08737	1.5
316.09329	0.5
328.05817	0.8
329.06567	13.7
330.07208	0.7
343.08118	5.1
344.08920	41.7
345.09134	0.6
359.11267	100.0
360.11652	0.6
494.36572	0.2
521.20038	0.9
521.30035	0.3
549.39459	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11055	0.1
55.05511	0.2
56.05043	0.3
57.03463	0.1
58.06383	0.1
58.06637	0.4
59.07392	0.2
60.08164	5.1
67.05500	0.4
69.07051	0.1
71.07368	1.9
71.13361	0.3
74.24274	0.1
81.07052	0.5
86.09708	23.9
95.08614	0.4
98.98455	1.4
104.10754	2.4
125.00008	15.0
143.01115	0.2
151.76988	0.2
184.07343	100.0
185.07739	0.3
193.32288	0.1
280.97092	0.1
385.73285	0.2
502.32916	1.1
520.34003	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	520.3402
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05505	1.3
56.05035	0.8
57.00771	0.3
57.03410	0.4
58.06599	1.3
60.08163	14.9
67.05499	3.6
69.07047	1.2
69.84462	1.6
69.84876	0.7
71.07378	5.6
76.19070	0.3
79.05491	1.0
81.03417	0.5
81.07058	3.2
83.08582	0.4
86.09705	43.2
91.05467	1.2
91.16570	0.4
93.07033	1.5
93.86562	0.4
95.08621	2.4
97.10168	0.6
98.98463	3.2
104.10744	80.0
105.07027	0.7
105.11056	0.4
107.08604	0.9
109.06483	0.5
109.10151	1.0
119.08592	0.8
125.00007	25.2
133.10143	0.6
163.01582	0.6
166.02731	0.4
183.36063	0.4
184.07343	100.0
258.11050	1.0
264.40369	0.4
337.27124	0.6
502.32965	6.4
520.33990	34.9
521.34222	0.9
530.58167	0.5
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
53.03940	1.2
55.05512	8.4
57.03443	5.8
57.07072	1.3
60.04496	0.8
60.08167	4.6
60.66266	0.7
65.03940	1.5
66.85949	0.7
67.05512	29.2
69.03436	1.1
69.06766	0.8
69.07079	6.7
70.66077	1.4
70.66428	1.4
71.04988	0.8
71.07366	2.7
79.05499	15.2
81.07066	25.7
83.04961	1.0
83.08630	2.6
85.06578	0.7
86.09211	1.4
86.09714	21.9
87.10046	5.9
88.04000	5.1
91.05481	8.2
93.07053	14.8
95.04961	1.7
95.08615	19.0
97.10197	1.3
98.98483	6.9
104.10748	2.0
105.07038	3.9
106.05022	1.7
107.08594	6.6
109.06469	1.1
109.10161	7.3
112.62455	0.7
113.09760	0.8
114.10331	0.7
117.07062	1.4
119.08598	2.8
121.10155	5.6
123.11723	1.5
125.00016	16.6
126.00379	2.7
127.00440	3.6
131.08578	2.5
133.10144	2.1
135.11685	2.8
137.63589	0.7
140.67473	0.8
145.10159	1.5
147.11681	1.4
149.09663	1.0
149.13237	1.4
158.95995	0.8
161.05229	0.8
161.13242	1.4
173.02138	1.5
173.58632	0.7
184.07359	59.0
185.07709	25.3
185.09361	1.3
186.07809	17.0
212.27831	0.8
223.13542	0.8
261.22076	1.8
266.60837	0.7
291.19339	0.9
296.99274	0.7
335.25833	100.0
336.26184	1.5
348.25369	1.3
502.32242	1.3
520.33026	3.5
521.27759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01870	1.1
55.02978	1.1
55.05490	1.9
57.03435	4.8
57.07058	2.0
58.32482	0.5
59.04982	0.8
61.02900	1.8
65.03930	0.6
67.05502	6.7
69.03431	18.0
69.07076	2.9
70.04082	15.5
71.04964	0.5
71.59667	0.5
71.60043	0.7
73.02939	1.1
75.04479	0.6
79.05483	1.8
81.03445	2.9
81.07066	3.4
82.03650	0.5
82.04064	6.4
83.04948	0.7
83.08599	0.9
85.02905	20.3
85.06147	0.5
85.06542	5.9
87.03991	0.8
87.04472	10.9
89.03906	0.9
91.05447	3.8
93.07042	3.4
95.04951	1.4
95.08604	2.5
97.02283	0.9
97.02891	15.6
97.06540	1.2
99.04441	1.3
100.05109	5.2
101.02383	0.5
105.07033	16.5
107.08606	4.1
109.02835	1.9
109.06503	1.1
109.10145	2.5
111.04368	0.6
115.03932	20.1
117.06965	0.7
119.07795	1.0
119.08580	12.0
121.10145	5.1
123.08022	0.9
123.11707	1.0
127.03899	3.6
128.04587	0.7
131.08568	9.0
133.04971	16.9
133.10135	12.5
135.08067	1.8
135.11682	1.1
137.05925	1.2
139.03877	0.6
143.08571	0.8
145.04959	3.0
145.10129	5.3
147.04407	0.8
147.11690	44.3
149.09685	0.9
149.13263	0.9
151.01843	1.1
154.21964	0.6
158.10870	0.7
158.97636	33.0
159.11617	0.7
159.98001	1.4
163.05971	0.6
163.11151	0.9
163.14787	1.4
167.05513	1.1
167.06935	0.7
171.28424	0.6
173.13271	27.2
175.14827	27.7
177.05501	1.0
185.98615	0.7
186.97144	13.7
191.14313	43.0
191.32993	0.6
200.00084	0.5
209.15366	3.2
228.99376	0.9
256.00403	100.0
257.00742	3.4
259.08096	1.5
277.09192	0.8
295.10168	2.2
299.06030	0.6
305.24789	0.8
358.07211	69.4
359.07596	3.2
371.20505	0.5
419.28796	0.5
437.43207	0.6
520.12231	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	519.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.5
62.39898	1.4
66.82761	1.4
67.05506	14.3
68.23572	1.4
69.07074	30.7
69.75245	5.2
69.75671	4.8
79.05492	6.8
81.07054	10.0
83.08618	1.7
91.05484	5.5
93.07043	5.0
95.04992	2.1
95.08601	4.6
97.10175	2.3
98.29187	1.3
105.07034	3.2
107.04954	3.1
107.08582	3.0
109.06512	2.8
109.10178	8.2
111.08037	1.9
117.07027	1.4
119.08605	3.6
121.06509	2.5
121.10137	4.0
121.10951	1.5
123.04413	13.9
123.08094	3.3
125.09545	1.4
131.08562	4.3
135.08060	1.9
137.05980	22.1
145.10136	3.1
147.04413	7.9
147.08006	2.2
148.05203	2.2
149.05965	7.1
149.35307	1.4
151.07555	25.9
155.08478	1.8
159.29845	1.2
160.05229	2.3
161.05980	18.9
163.07530	7.5
163.49588	1.2
163.98232	1.3
167.05591	3.4
171.07991	1.7
173.05975	8.0
173.09633	1.9
173.11780	2.0
174.06804	2.1
175.07555	7.0
177.09099	11.6
187.07541	5.4
188.97250	1.5
189.07397	2.8
189.09105	38.2
191.10680	6.0
201.09093	25.8
203.10683	23.7
213.09132	3.1
215.10663	15.0
217.12283	4.9
220.53726	1.6
229.12254	10.5
243.13875	4.0
257.15466	8.0
291.19489	7.9
299.06137	3.9
449.27011	4.1
451.28464	9.3
459.00244	1.8
463.28455	100.0
498.50684	1.6
511.70334	1.3
519.33997	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	519.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01844	0.8
55.05499	2.1
56.46230	0.6
56.96568	0.8
57.03438	3.9
59.83383	0.6
67.05492	2.1
69.03425	2.3
69.07057	2.3
69.59431	5.1
71.04997	28.9
74.56243	0.6
75.04465	1.3
78.95244	0.6
79.05481	2.0
81.03427	1.1
81.07063	9.1
81.55638	0.6
83.04987	3.4
83.08633	1.2
85.02908	34.9
87.04449	0.7
91.05417	3.3
93.07052	4.4
95.04946	1.3
95.08615	11.5
95.68964	0.7
97.02890	1.9
98.97598	0.6
99.08097	2.5
103.65559	0.6
105.07037	10.9
107.04968	0.8
107.08598	6.8
109.02839	0.7
109.10168	2.9
111.04431	2.6
113.09605	0.8
117.06996	1.5
119.08586	35.0
121.10149	2.2
123.11685	2.4
127.03903	2.2
127.90063	0.7
129.05479	12.4
131.08597	0.9
133.10130	42.9
133.16811	0.7
135.11691	8.4
137.06021	0.7
145.04903	0.7
147.06491	3.5
147.11665	2.4
163.03920	0.7
167.05598	1.7
175.14832	100.0
193.05026	1.2
193.15869	12.3
201.15123	0.7
211.16982	8.1
265.08603	0.7
299.06158	2.0
303.23434	0.9
317.06616	1.5
341.07245	1.1
357.13367	1.0
391.03198	1.6
429.18219	0.8
434.51572	0.7
519.23828	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	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25277	1.1
55.05504	1.3
55.21113	1.0
58.06605	1.6
58.77965	1.0
60.08167	11.5
61.02931	1.1
67.05505	4.2
69.07085	1.6
70.06606	0.9
71.07373	2.8
71.24571	2.2
72.50216	0.9
79.05499	3.5
81.07062	3.7
83.08623	1.1
85.02923	1.3
86.09715	37.9
86.10240	2.1
91.03970	0.9
91.05452	2.3
93.07043	1.7
95.08597	2.1
98.98467	2.6
104.10755	54.8
104.81699	0.9
105.07068	1.6
107.08604	1.4
109.10156	1.8
121.10172	1.4
125.00010	25.6
163.03973	1.1
163.11208	1.2
184.07353	100.0
282.89993	1.1
291.19699	1.4
299.06088	1.6
484.54575	1.1
500.31406	6.0
518.32507	21.8
519.32690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
58.06610	0.4
60.08170	6.3
67.05495	0.6
71.07383	2.8
71.11868	0.6
79.05502	0.3
81.07047	0.8
85.51539	0.2
86.09711	28.7
95.08620	0.3
97.36283	0.2
98.98490	2.6
104.10757	2.9
105.29465	0.2
110.06496	0.2
125.00014	19.5
184.07355	100.0
185.07658	0.5
378.67957	0.2
500.31259	1.0
518.32629	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	518.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01876	9.0
55.05515	1.8
57.03445	2.3
57.07085	6.9
67.05501	7.2
69.03439	8.7
69.07067	10.7
70.02942	6.0
70.06589	4.2
71.04994	2.5
71.08116	2.0
72.04511	20.0
72.08137	1.5
73.02917	12.4
74.02381	1.3
81.03421	17.7
81.07060	2.5
83.04979	6.7
84.08148	3.5
85.02910	8.6
85.06545	7.2
86.06067	2.9
86.09701	5.8
87.04482	3.7
87.08096	2.5
87.11279	1.3
90.05562	36.1
93.07059	2.0
95.04950	12.0
95.08606	2.8
96.08122	2.7
97.02891	11.5
97.06537	1.4
98.02438	12.2
98.97507	1.5
99.04462	5.0
100.03976	7.5
103.03947	1.6
103.07576	3.6
109.02879	25.6
109.10149	3.7
112.07605	2.6
113.06004	5.7
115.50220	1.3
116.03465	25.2
116.07059	1.7
116.98616	1.3
121.10149	2.3
123.51009	1.3
124.07594	30.9
127.03912	15.8
130.04999	2.1
130.08682	2.9
131.07036	2.3
132.06560	9.6
135.04439	1.4
136.11743	1.3
137.02292	3.0
137.05992	2.4
138.05603	1.7
142.08627	18.4
145.05003	8.5
153.05502	1.5
156.10199	1.8
160.09636	6.9
163.03830	1.7
166.08676	6.3
167.07132	2.0
172.09669	3.6
174.11272	5.3
175.14755	1.6
176.03505	1.8
181.04909	3.1
184.09703	31.8
198.07643	4.6
199.06023	2.9
202.10753	100.0
203.11453	3.3
211.09669	10.9
216.08737	6.1
217.07143	3.3
220.11804	20.8
226.10831	1.7
230.10254	13.5
234.09775	10.6
244.11795	3.2
262.12891	22.2
299.06137	1.6
306.60202	1.3
308.14499	4.5
310.12842	13.1
328.13919	60.7
346.14871	9.7
364.16025	17.2
373.47025	1.5
388.12488	1.9
518.19214	1.9
518.22974	1.8
518.30835	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	518.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01860	2.5
55.05516	2.0
57.03432	11.4
57.07091	1.3
59.04990	2.4
60.04522	2.0
61.02917	4.1
65.03935	1.4
67.05486	4.9
69.03079	1.7
69.03432	32.7
69.07056	4.0
70.06580	3.4
71.24442	3.0
73.02897	3.2
75.04469	1.8
79.05492	14.7
81.03417	10.3
81.07038	5.1
85.02906	42.4
85.06544	19.1
87.04471	22.3
91.03968	1.9
91.05485	23.2
92.59620	1.3
93.07037	4.0
94.07398	1.3
94.70702	1.3
95.04954	5.2
95.08608	6.7
97.02887	32.1
99.04436	4.0
105.03400	23.6
105.06998	2.3
107.04961	2.2
107.08569	2.4
109.02866	5.2
109.06526	1.9
109.10128	5.0
110.10457	1.9
111.08095	1.6
111.11755	2.3
112.68364	1.2
115.03153	2.4
115.03925	33.5
118.64283	1.4
119.04095	2.1
119.04948	32.1
121.06560	1.9
121.10161	3.8
123.04436	51.8
123.05322	3.2
123.08062	1.8
125.68358	1.3
127.03918	11.7
129.18793	1.4
131.04826	1.4
132.04451	6.0
133.04964	31.4
133.06493	1.7
133.10143	2.3
135.11673	2.3
137.05933	1.7
139.03894	2.0
139.11179	3.3
145.02834	1.8
145.04976	16.6
145.10098	1.5
147.04404	26.7
150.07631	4.0
150.33388	1.3
151.07648	1.5
153.09158	1.9
155.10640	1.3
157.04004	1.6
158.23959	1.3
163.03883	1.4
163.06013	3.0
167.07056	2.6
175.03915	47.5
177.05418	2.5
181.12225	2.1
189.09088	11.3
199.09662	5.6
199.13245	1.7
207.06532	100.0
217.10689	1.3
229.10771	2.7
263.98581	1.4
268.16965	1.4
285.09592	3.0
351.10675	5.8
369.11786	5.6
396.13632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01873	5.5
55.05511	29.0
65.03943	1.9
67.05509	29.9
69.07057	13.9
69.79861	5.5
69.80271	4.4
71.05015	3.7
72.05511	1.5
79.05056	2.9
79.05494	35.5
81.03421	6.7
81.07056	32.0
83.04981	7.4
83.08624	23.5
85.06530	2.3
91.05479	33.3
93.06463	3.2
93.07047	43.9
95.04973	28.2
95.08611	20.0
97.06519	5.2
97.10175	3.5
98.20837	3.2
105.06379	2.5
105.07039	31.1
107.04945	9.7
107.08595	19.2
107.83457	1.5
109.06531	6.0
109.10142	7.4
109.53031	1.5
111.08078	6.4
111.31013	1.4
117.07014	10.3
119.08587	26.4
120.87737	1.6
121.06514	7.6
121.10148	11.7
123.08051	5.4
123.11716	1.7
125.09610	5.0
129.07028	5.7
131.08578	14.3
133.06490	2.5
133.10141	21.6
135.08075	4.8
135.11702	6.3
137.09650	3.4
141.07007	2.3
143.08597	4.6
145.06488	3.1
145.10124	25.3
147.08057	2.4
147.11702	27.3
149.09615	18.6
149.13269	1.9
151.11194	4.7
155.08577	3.7
157.10115	3.4
159.11703	11.6
161.09602	2.4
161.13287	7.0
163.04051	1.5
163.11177	27.0
165.12773	5.6
169.10130	1.9
171.11703	11.8
173.09633	4.1
173.13275	4.7
175.14848	1.9
177.12750	2.2
183.11703	3.3
187.11176	1.7
189.11208	3.2
189.12779	4.0
197.13303	3.3
205.12402	1.9
207.13821	16.0
223.13300	16.5
229.19556	5.3
235.67662	1.7
239.17989	7.5
247.20578	2.7
257.19022	14.6
266.17505	1.5
275.20068	100.0
276.20291	1.9
293.21127	47.7
454.45886	1.6
517.38635	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
55.01875	3.8
55.05515	23.2
64.82653	1.8
66.79576	1.8
67.05509	26.9
69.07075	11.3
69.95197	9.3
71.04992	5.4
79.05502	31.3
81.03421	8.3
81.07068	31.5
82.45644	1.8
83.04974	7.2
83.08624	24.8
91.05488	30.3
91.86067	1.7
93.07053	39.8
95.04984	27.7
95.08607	19.4
97.06561	3.4
97.10187	4.8
105.07047	36.1
107.04966	10.6
107.08607	15.2
109.06512	6.2
109.10163	5.9
111.08072	3.8
117.07027	12.1
119.08588	23.7
121.06486	3.7
121.10146	15.9
123.08083	5.7
123.11768	2.3
125.09623	3.8
129.07024	6.6
131.08560	10.8
133.10133	19.4
135.08095	3.3
135.11705	7.5
137.09605	3.5
143.08585	5.1
143.82852	2.1
145.10150	26.0
147.08046	2.9
147.11697	23.1
149.09634	16.6
151.11243	3.7
155.08562	3.4
157.10085	2.7
159.11693	11.0
161.13271	6.0
163.11203	27.8
165.12798	4.3
169.10107	3.5
171.11629	12.8
173.09636	4.0
173.13315	5.0
175.11192	3.8
183.11659	2.3
187.11270	2.9
189.11217	3.6
189.12787	4.6
191.10652	2.0
197.13271	3.0
205.12248	2.0
207.13795	17.6
223.13235	18.7
229.19456	2.2
239.17889	11.8
247.20714	3.2
257.19019	11.5
263.16656	1.9
275.20093	100.0
293.21140	54.5
407.26129	1.9
432.53864	2.2
434.67285	2.1
442.21866	2.3
517.37805	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	516.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01863	6.1
55.05265	2.0
55.05515	40.1
56.96553	1.6
57.03445	11.5
57.07063	1.7
58.99586	1.9
59.04995	5.3
61.02924	6.6
64.24849	1.7
67.05507	81.1
69.03429	11.1
69.07065	9.9
70.06592	6.2
71.01363	2.2
71.04993	6.8
71.58437	2.6
73.02914	3.5
73.95695	1.5
74.06082	2.0
76.02236	4.6
77.07037	1.4
79.05492	19.8
81.03426	9.9
81.07059	23.6
83.04987	6.5
83.08612	19.2
84.04510	2.6
85.02908	32.6
85.06554	4.4
86.09694	3.3
87.04486	9.4
91.03973	4.0
91.05455	12.0
93.07052	8.4
95.04988	4.5
95.08617	14.9
97.02906	10.6
97.06552	2.4
97.09551	2.2
97.10169	38.3
98.97617	2.7
99.04493	2.2
101.06005	2.1
103.03970	3.9
105.07026	6.5
107.04955	4.2
107.08601	17.4
109.02886	5.0
109.10156	78.9
111.04459	2.3
111.08109	3.3
116.07046	1.8
116.55527	1.8
116.98602	1.7
119.08566	7.8
121.06570	2.0
121.10117	2.9
123.04417	2.4
123.08115	1.9
123.11732	1.8
125.09631	44.2
127.03951	5.7
127.10264	1.5
131.04939	3.8
131.08592	1.9
134.99666	1.6
135.11720	2.9
136.07597	1.9
137.05995	4.7
137.09595	5.0
138.05357	2.7
139.03851	1.8
143.10684	11.9
145.04935	3.0
145.10138	3.1
149.09622	1.8
150.05540	2.0
151.03899	1.7
151.07524	1.8
154.26849	1.7
155.10640	8.4
161.05994	2.3
162.02327	2.0
163.03891	2.0
163.07565	1.9
163.11148	9.3
166.05038	2.7
167.07104	2.3
169.27023	1.7
173.11737	49.8
173.12927	2.1
175.11865	1.6
177.19215	1.5
179.04874	9.1
179.07089	1.8
182.11742	3.0
186.09851	1.6
189.09109	5.1
190.09351	1.9
191.10718	2.2
199.13391	3.9
207.06506	1.9
209.11801	3.3
217.14436	5.1
219.02097	2.1
219.10251	1.9
223.09099	1.8
227.12828	7.1
229.14363	100.0
238.32088	1.9
241.12598	2.2
283.15347	4.3
301.16434	10.1
304.11923	2.5
305.09814	3.3
308.09058	2.1
308.22122	1.8
319.17542	30.3
354.63031	1.7
386.10098	2.1
387.10333	2.3
441.20853	1.9
463.21613	9.2
516.18054	1.6
517.13110	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	516.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01879	3.9
55.05511	27.2
57.03442	10.1
57.03683	1.9
58.98550	1.2
59.05001	3.2
61.02922	3.4
67.05510	81.2
69.03429	6.2
69.07072	6.7
69.29100	13.8
70.06591	5.8
71.04985	5.9
72.08131	3.3
73.02924	2.6
75.17492	1.1
79.05495	13.8
81.03416	6.2
81.06638	2.1
81.07063	19.8
83.04975	3.6
83.08629	16.0
84.04511	1.5
85.02915	17.0
85.06527	3.9
86.06091	1.2
86.09715	6.3
87.04481	7.3
90.22415	1.4
91.03958	1.7
91.05474	6.1
92.55537	1.4
93.07046	6.0
95.04955	2.6
95.08604	7.5
97.02893	5.1
97.06538	2.2
97.07701	1.2
97.10178	20.7
98.97602	2.1
99.04459	1.6
103.03955	4.0
105.07029	3.2
107.04961	1.9
107.08587	9.4
109.02902	2.8
109.10166	79.2
111.04456	1.8
111.08092	2.3
113.05928	1.7
116.07107	1.3
116.98631	1.8
117.06989	2.0
119.08613	6.6
121.10143	2.9
125.09642	23.1
127.03895	1.5
131.08577	1.4
133.10165	1.8
137.06017	2.4
137.09621	3.9
143.10675	4.1
145.04955	1.8
145.10118	1.7
147.04317	1.8
150.05560	6.5
155.10648	7.3
159.06616	1.6
163.11223	4.7
167.03381	1.4
167.06999	1.7
173.11748	53.3
179.07008	1.8
185.16553	2.8
193.12256	1.6
199.13277	3.0
199.67892	1.2
209.11751	4.2
213.16139	1.8
217.14317	3.8
227.12872	2.1
229.14371	100.0
236.37506	1.2
247.88724	1.5
266.85974	1.3
283.15356	2.2
301.16504	3.6
304.14874	1.4
319.17538	7.1
354.14453	2.0
412.22867	1.6
463.21469	7.8
481.22589	2.0
516.21826	1.6
516.30194	3.6
516.37769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.5
55.05519	23.7
56.96558	6.8
57.03433	11.9
61.02919	10.0
65.03960	4.4
67.05169	7.0
67.05509	99.7
69.03425	21.3
69.07074	29.0
70.18768	17.7
71.04989	10.2
73.02902	8.9
79.05497	75.4
81.03403	15.5
81.07066	100.0
83.04984	9.0
83.08620	8.9
85.02905	15.2
85.06561	3.8
86.42927	3.5
91.03943	7.7
91.05492	43.0
93.07053	73.7
95.04972	12.6
95.08054	6.0
95.08614	81.7
97.02907	9.1
97.06524	10.1
97.10179	8.4
99.08060	6.0
103.03925	5.4
105.07055	38.1
107.08601	42.9
109.06537	7.3
109.10146	31.6
117.07022	19.5
119.04973	5.0
119.08598	32.2
121.06513	8.3
121.10143	41.4
123.04312	4.0
123.11695	15.3
127.03914	7.6
129.07005	10.7
131.08586	36.9
133.10155	25.1
135.11699	36.3
137.09624	5.6
137.13226	5.4
143.08603	10.2
145.06467	4.5
145.10130	27.5
147.04395	8.6
147.08064	8.5
147.11696	20.0
149.01219	16.2
149.09679	8.0
149.13271	22.1
151.11244	5.0
156.03558	6.1
157.10127	10.1
159.11707	14.5
161.13263	14.7
163.11230	4.8
163.14832	12.9
167.02249	5.4
171.11700	7.1
173.09627	6.7
173.13264	15.3
175.14723	5.7
185.09744	6.0
185.13290	7.4
187.14830	10.1
195.11826	4.5
201.12813	4.5
203.02208	3.6
215.17911	6.1
233.22787	5.5
243.21227	24.3
261.22183	69.1
277.63974	11.5
285.21951	6.3
301.21561	5.6
303.23160	5.1
315.23163	4.9
317.18057	4.3
327.23267	6.0
335.25815	15.0
341.24847	5.2
345.24435	5.5
353.26913	25.0
358.16534	51.2
358.66614	72.8
359.16769	23.0
359.66934	4.8
369.24341	13.3
377.27087	6.8
387.25211	6.8
405.26337	11.3
419.27740	8.8
427.74252	4.2
461.28778	8.7
479.29797	10.0
497.31076	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01857	2.7
55.05512	23.4
57.03445	8.4
57.07069	4.5
58.02844	1.6
61.02925	4.4
61.66520	1.5
65.03930	2.2
67.05508	91.5
68.05835	1.9
69.03417	7.3
69.07067	18.0
70.28307	3.2
70.28693	4.7
71.04992	4.5
73.02910	3.1
79.05495	58.1
81.03405	6.5
81.07062	100.0
83.04952	4.1
83.08619	10.6
85.02915	7.6
85.06520	2.4
91.03947	2.6
91.05481	31.3
91.06013	2.8
93.07047	72.2
95.01328	2.1
95.05006	8.8
95.08614	75.9
97.02893	7.0
97.06538	6.2
97.10178	5.1
99.04503	2.0
99.08123	4.2
105.07038	25.3
107.04976	2.3
107.08601	40.8
109.06534	5.8
109.10160	40.6
111.08096	2.9
117.07043	13.3
119.08582	26.2
121.06504	2.3
121.10147	39.2
123.08086	4.1
123.11707	19.8
125.09665	2.7
127.03909	1.9
128.06367	1.7
129.05443	1.5
129.07010	4.6
130.07852	1.7
131.04907	1.8
131.08575	24.4
133.10139	18.1
135.11697	33.4
137.13257	7.1
139.11230	2.1
143.08591	3.2
145.10141	23.4
147.04422	4.5
147.11679	13.3
149.13260	21.5
151.07640	1.9
151.11166	3.4
157.10103	3.1
159.11697	19.7
161.13260	12.3
163.03940	2.5
163.11211	3.1
163.14793	15.0
165.12799	3.4
169.10115	2.3
171.11673	1.9
173.13272	19.5
175.14832	5.1
177.12807	2.5
177.16434	6.8
179.14374	3.0
185.13297	2.7
186.34657	1.8
187.14812	10.0
191.14279	3.5
201.09068	1.9
201.16478	3.0
233.22693	2.4
243.21088	28.4
261.22153	90.6
267.07614	2.2
277.21912	2.0
279.23224	7.0
303.23322	3.1
335.25775	26.9
345.24219	5.4
353.26929	24.6
353.30978	3.0
369.24225	3.2
377.26599	2.3
383.80554	1.7
387.25378	2.8
405.26660	2.5
419.27808	2.6
443.27792	2.4
461.28906	3.3
497.31216	9.6
497.37079	1.8
515.31537	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
51.78720	3.3
53.03940	4.8
55.01863	3.5
55.05510	16.5
55.66686	3.5
67.05504	77.3
67.05865	3.8
69.03417	5.5
69.07066	19.4
71.05008	6.7
71.08639	3.5
71.21891	8.4
73.02895	3.1
79.05498	62.9
80.86810	2.9
81.03410	5.9
81.07056	92.5
83.08616	10.6
85.02892	7.0
85.06559	4.6
91.05493	33.7
93.07043	69.0
93.32717	3.3
95.04977	7.8
95.08610	72.3
97.02894	3.8
97.06512	4.1
97.10181	8.5
99.08038	3.0
105.07024	25.9
107.04946	6.6
107.08591	35.3
109.06487	4.5
109.10147	39.9
111.04450	4.4
113.09638	3.8
117.07029	17.7
119.08577	21.4
121.10125	35.4
123.11714	18.2
129.07025	4.8
131.08577	23.1
131.26450	3.4
133.10143	20.4
135.11679	30.9
137.13240	5.4
143.08549	5.3
145.10129	23.3
147.11688	18.1
149.13264	22.2
157.10135	4.5
159.11705	21.8
161.13225	16.4
163.14807	16.0
173.13268	24.4
173.79900	3.6
175.14842	6.5
177.16350	5.4
179.14241	3.9
187.14819	8.0
208.29929	3.6
233.22664	3.7
243.21078	31.6
261.22134	100.0
335.25903	16.5
353.26877	20.9
377.26743	4.7
443.27939	4.2
461.29514	4.8
478.56387	3.9
479.30273	4.9
497.30658	7.0
515.37482	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	515.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54572	3.2
52.27242	3.8
53.03931	6.4
55.05518	28.6
56.96555	5.3
57.03421	11.1
61.02921	8.4
62.12399	3.4
67.05177	5.4
67.05511	83.8
69.03417	15.6
69.07064	25.2
71.04990	7.8
71.31985	6.9
73.02916	5.3
79.05493	53.1
81.03413	10.6
81.07063	100.0
83.04972	8.8
83.08608	11.3
85.02906	11.5
91.03984	6.2
91.05486	45.9
93.06472	4.7
93.07049	71.3
95.04961	13.0
95.08612	81.2
97.02888	14.5
97.06531	8.4
97.10189	8.2
99.08086	4.8
105.06503	3.3
105.07047	35.6
107.04964	5.9
107.08600	42.5
109.06526	9.8
109.10172	33.0
111.08138	3.8
117.07024	15.6
119.08598	22.6
121.06496	6.2
121.10165	29.4
123.08043	5.7
123.11707	12.4
125.09607	5.0
127.03956	8.5
129.07050	6.9
131.08577	27.1
133.06560	4.6
133.10144	23.3
135.08025	5.2
135.11723	29.6
137.13268	5.9
142.07756	3.9
143.08508	7.4
145.10132	22.3
147.08060	4.0
147.11699	17.3
149.01212	7.7
149.13284	24.3
157.10109	5.0
159.11691	20.7
161.13239	9.7
163.14798	9.4
165.12788	4.0
169.09995	4.6
173.13261	20.3
175.14836	5.7
177.12669	4.0
179.14291	4.3
185.09843	4.2
185.13368	4.4
187.14789	5.5
201.12404	3.4
217.15976	4.9
243.21010	19.1
261.22177	44.9
269.17279	4.3
279.23282	4.7
301.21875	5.4
303.23206	8.4
323.23434	3.8
335.25861	17.9
345.24118	6.8
353.26904	26.9
358.16428	8.7
358.66696	19.1
359.16614	11.3
359.66666	15.2
360.16153	21.1
369.24054	10.3
387.25247	5.0
405.26361	7.0
419.27780	10.1
461.28961	10.2
463.64493	4.2
479.30267	5.8
497.31052	19.3
515.25934	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	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
53.49407	1.0
55.01871	2.0
55.05514	4.3
57.03432	4.9
58.27620	1.0
61.02922	2.5
67.05505	8.9
69.03430	3.6
69.06096	1.2
69.07068	3.0
69.42772	4.1
69.43201	5.5
70.06602	2.7
71.04984	2.0
77.77265	1.0
79.05495	10.0
81.03423	100.0
81.07057	8.0
83.04989	5.6
83.08624	26.6
85.02876	5.0
87.25569	1.0
91.03934	1.3
91.05500	9.9
93.07047	7.1
95.04977	30.4
95.08593	2.5
97.02880	4.0
97.06503	1.5
97.10162	1.4
98.09683	1.7
98.71458	1.2
105.07032	10.5
107.04945	5.0
107.08584	3.2
109.02868	1.1
109.06519	1.8
109.10138	1.3
111.04465	2.8
111.08069	11.1
117.07024	1.6
119.08600	8.8
121.06516	1.7
121.10142	5.0
123.04487	1.5
129.07036	7.2
131.08592	6.8
133.06470	4.1
133.10117	4.1
137.05992	1.3
137.09651	1.3
138.00923	1.3
142.07822	2.6
145.10075	1.6
147.08075	3.6
147.11685	8.4
149.09624	5.2
149.76775	1.0
155.12793	1.3
157.10149	13.9
165.12764	1.5
167.07060	1.8
175.11176	15.7
193.12257	73.2
209.97650	1.1
211.13350	7.5
235.13338	4.4
267.15933	49.4
285.16986	98.7
287.05560	1.2
290.15646	1.5
301.14050	1.2
302.39612	1.4
309.17017	10.8
339.04794	1.4
347.07889	1.3
351.18173	1.5
360.48428	1.1
363.18063	4.4
373.13824	1.2
375.17752	1.9
393.18829	1.7
428.36435	1.1
429.21198	6.5
514.27142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1896
Annotation	Kadsuphilol G
Peak:m/z	Relative Intensity
52.70591	0.2
55.05507	0.4
69.03446	0.4
70.06593	0.7
70.99957	0.6
71.00291	0.6
73.51285	0.3
81.07087	0.8
85.02920	0.4
91.05474	0.4
93.07054	0.4
102.27351	0.3
105.07091	0.4
107.08626	0.5
109.10169	0.4
129.78766	0.3
137.05983	0.4
139.03934	0.3
147.04456	0.7
152.49666	0.2
161.06055	0.4
175.11945	0.4
177.09192	0.4
179.03384	0.3
252.47951	0.3
365.13751	0.5
383.14752	0.7
515.19006	100.0
516.19482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3068
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03957	2.6
55.05519	13.2
57.03432	5.8
57.07067	2.3
61.02932	9.9
67.05511	23.7
69.03427	6.7
69.07077	10.0
69.31409	7.3
69.31834	15.3
69.67945	2.2
70.06592	4.1
71.05025	3.2
72.08141	2.0
73.02927	5.2
79.05504	26.0
81.03388	4.9
81.07062	28.7
83.08633	7.7
85.02928	14.2
85.06534	2.0
91.03954	6.8
91.05494	27.2
93.07049	35.6
95.04961	7.3
95.08610	22.4
97.02899	7.8
97.06542	2.4
97.10193	3.2
98.17131	2.5
99.04450	4.5
105.07037	25.8
107.08607	26.0
109.02818	2.1
109.06505	3.4
109.10155	9.8
117.07052	4.8
119.08595	28.5
121.06483	4.3
121.10156	20.1
123.04463	2.2
123.11712	3.4
127.03928	5.5
129.05533	2.5
129.07002	3.9
131.08565	14.5
133.10158	25.0
135.08002	2.4
135.11719	21.2
143.08632	5.3
145.10143	13.3
147.08087	2.3
147.11699	20.1
149.09561	2.3
149.13300	15.5
152.44142	2.0
157.10138	5.8
159.11687	11.3
161.09627	5.0
161.13252	16.0
163.11159	3.4
163.14801	4.8
171.11688	9.5
173.13287	8.1
175.11276	2.8
175.14809	12.1
180.19127	2.3
183.11734	2.6
185.13301	9.1
187.07536	2.3
197.13321	2.5
211.99123	2.1
217.19756	2.3
231.21198	3.1
241.19543	16.7
242.97409	2.4
259.20593	38.3
271.20593	2.4
277.21664	6.7
333.24289	8.3
349.23721	6.1
351.25345	100.0
367.22632	2.8
375.25284	4.8
441.26468	4.2
477.28641	3.4
492.40155	2.1
495.29388	6.4
513.29602	9.9
525.12659	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.21488	1.3
53.03964	1.7
55.05521	9.1
57.03436	8.2
57.07070	1.8
61.02930	13.0
65.03921	1.4
67.05511	25.8
69.03441	6.3
69.06738	1.7
69.07060	9.0
69.93889	6.0
70.70285	1.1
71.04998	2.3
71.08648	5.7
71.08991	1.2
72.45658	1.1
73.02922	5.3
74.65107	1.3
79.05051	2.6
79.05496	30.8
80.77045	1.4
81.03426	3.3
81.07059	33.4
83.04991	2.8
83.08621	5.2
85.02908	11.6
85.06558	1.8
87.04474	1.5
89.58379	1.2
91.03969	7.3
91.05487	24.9
93.07052	38.2
95.04984	3.9
95.08620	20.9
95.47443	1.3
97.02891	9.5
97.06534	1.7
97.10188	2.5
98.21578	1.6
99.04453	1.6
99.08111	4.3
101.85792	1.1
104.64803	1.1
105.06375	2.6
105.07034	30.6
107.04974	2.1
107.08596	24.6
109.10155	10.0
111.08053	2.2
117.06332	1.2
117.07005	7.9
119.08586	26.5
121.10153	21.2
123.08065	1.7
123.11718	2.3
127.03935	3.8
129.07010	3.7
131.08571	10.1
133.10133	23.3
135.08109	1.7
135.11693	19.9
137.09630	1.4
142.07814	1.3
143.08592	5.3
145.04965	1.6
145.10103	13.0
145.10954	1.2
147.10608	2.6
147.11678	19.9
149.09755	1.2
149.13264	12.6
151.11224	3.1
157.10141	3.6
159.11690	9.1
161.09642	3.6
161.13248	16.5
163.11203	3.8
163.14810	5.8
163.36197	1.3
165.12814	1.3
169.10188	1.5
171.11682	10.3
173.13286	7.4
175.14853	9.1
177.12805	2.8
179.14326	15.5
183.11662	1.7
185.13335	6.7
185.81932	1.2
187.14891	2.3
189.12819	2.0
189.16550	1.3
199.14833	4.4
213.16458	2.5
217.19568	1.8
231.17470	2.1
231.21213	2.3
235.16888	1.9
241.19531	16.3
259.20596	36.7
271.20599	1.4
275.20352	1.5
277.21619	18.6
277.24435	2.2
301.21790	1.3
333.24402	4.4
349.23868	4.0
351.25320	100.0
352.25845	1.5
363.25418	2.2
367.23044	1.3
375.25375	2.0
441.26321	4.3
451.24277	1.6
459.27380	4.8
477.28186	2.6
495.29590	5.8
513.30408	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	512.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.5
57.07079	100.0
59.05004	13.2
65.57619	1.3
67.05518	1.6
69.07076	3.3
70.06595	1.8
71.08636	67.5
71.61141	1.2
74.34845	1.3
83.08617	3.1
85.10189	55.9
87.04483	3.5
88.07626	2.5
89.06036	66.5
97.10163	1.7
99.11733	9.8
103.07587	4.7
107.07051	2.0
109.10240	1.4
113.13278	3.6
130.08656	4.8
131.07057	3.3
131.10785	1.3
133.08615	47.5
155.17947	8.9
165.74501	1.2
177.11230	32.6
177.12679	2.3
213.22159	9.1
219.12294	1.3
221.13811	2.3
227.47229	1.2
239.14899	4.2
247.08092	1.2
256.26294	6.1
257.24808	4.0
265.16525	2.4
283.17548	34.3
283.26324	5.3
323.20538	2.0
327.20163	3.9
341.21854	3.5
394.36603	1.4
494.84402	1.3
495.39215	10.1
505.89014	1.4
512.42053	3.4
512.50360	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	513.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.0
54.55933	1.1
55.01870	8.1
55.05506	1.4
56.51573	1.3
57.03418	1.0
57.07081	6.7
59.04994	2.2
61.02931	1.3
65.03944	1.6
67.05502	6.6
69.03430	8.6
69.07066	8.7
70.02978	5.4
70.03292	1.1
70.06582	4.0
71.04993	2.8
71.59074	1.2
71.59459	1.3
72.04517	26.6
73.02915	12.0
79.05499	1.3
81.03416	15.6
81.07070	1.8
83.04979	6.6
84.08147	1.6
85.02911	9.4
85.06541	7.5
85.71138	1.2
86.09697	5.2
87.04466	1.5
87.08127	2.6
89.03878	1.1
90.05558	32.2
93.07033	2.2
95.04977	7.2
95.08606	3.2
97.02898	10.6
97.06580	1.3
98.02418	12.3
98.97597	1.7
99.04453	5.1
99.08089	1.3
100.03976	7.2
103.07594	3.3
104.05029	1.8
107.04960	2.1
107.08627	1.4
108.05331	1.5
109.02889	22.7
109.10126	1.3
112.07623	1.7
113.06008	5.5
114.10311	2.5
115.03942	2.0
116.03455	21.7
119.87251	1.0
121.10145	1.1
122.05996	1.3
124.07591	19.5
125.21577	1.2
127.03925	14.7
130.08638	1.4
131.04865	1.8
131.07036	2.0
132.04454	45.1
132.06540	7.4
132.10240	2.0
137.05988	2.7
138.05511	2.6
139.03943	2.2
140.78806	1.0
142.08656	16.3
145.04951	8.8
151.03908	1.2
156.10167	2.2
158.04445	1.4
160.09677	6.1
161.05954	2.8
161.09673	1.8
162.06319	1.5
163.03963	1.9
163.07562	1.5
166.08647	4.4
167.06999	4.4
172.09666	3.7
174.11259	6.2
175.54378	1.2
176.19398	1.1
177.05432	2.0
180.06618	1.3
181.04961	6.8
181.08507	2.0
184.09680	31.5
187.06126	2.1
189.09097	3.2
190.09436	2.8
191.03334	1.9
193.08530	1.4
198.07574	4.2
199.06018	3.9
202.10750	100.0
203.11626	2.0
205.06947	1.4
207.10152	3.3
208.10500	3.0
211.09654	8.2
216.08676	6.1
217.07098	4.3
219.10173	1.4
220.11839	20.5
226.10689	2.0
230.10243	13.1
234.09705	12.1
239.11679	1.8
240.12129	1.9
244.11859	4.2
250.11426	1.7
258.19421	1.3
262.12900	20.6
282.13254	1.7
300.14297	1.6
310.12845	12.2
327.13373	1.4
328.13904	71.0
333.06143	2.9
346.14978	14.2
364.16031	40.9
382.16833	1.7
383.14420	3.8
469.22034	1.7
495.19644	4.5
513.19641	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	512.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09767	0.6
53.09333	0.5
53.93636	0.5
55.01868	3.3
55.05511	1.7
57.03431	2.1
58.77036	0.5
61.02912	2.2
62.57284	0.6
67.05503	7.7
69.03426	1.2
69.07064	1.6
69.68465	0.5
70.06606	1.4
70.91234	0.7
70.91578	1.6
71.04981	0.9
73.02916	1.0
79.05500	4.9
81.03420	1.1
81.07068	4.9
83.04987	11.1
83.08607	1.3
85.02916	3.8
85.06562	0.9
86.30900	0.5
87.04443	1.1
91.03956	0.8
91.05477	3.7
93.07043	7.1
95.04973	1.5
95.08600	2.1
97.02869	1.7
97.06512	1.9
99.04470	2.5
99.08106	1.3
99.39222	0.6
105.07021	1.7
107.04952	1.1
107.08587	4.0
109.06539	0.6
109.10152	5.4
111.04446	29.0
111.08086	7.1
115.03949	4.8
117.07051	1.9
119.08575	3.1
121.06516	1.1
121.10143	7.8
125.05975	1.3
127.03903	1.0
129.07051	1.1
131.08549	2.4
135.11703	7.6
137.05966	1.5
145.10132	7.0
147.11685	2.1
149.02304	0.8
149.09673	2.9
150.12778	1.9
151.13138	0.7
153.12747	12.4
155.08641	0.6
163.03928	8.3
163.11194	21.5
173.09647	4.3
177.13947	1.0
181.04739	0.6
181.12238	22.5
191.10675	20.6
198.95293	0.5
209.11732	10.3
213.52670	0.6
223.13309	0.7
227.10535	0.9
227.12788	23.3
241.14369	6.3
283.15421	23.5
301.16589	3.2
315.18036	100.0
316.18576	1.0
333.18915	0.6
334.05939	0.9
348.07916	0.7
350.08505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01855	1.3
55.05501	1.5
57.03423	2.0
59.04975	1.3
59.74926	0.5
61.02925	3.0
67.05511	1.2
69.03426	6.3
69.07072	2.7
70.06576	1.9
70.22115	0.5
71.04646	0.9
71.04997	12.0
71.60265	0.6
73.02908	1.6
73.06548	2.2
79.05486	2.4
81.03425	3.1
81.07062	15.2
83.04958	0.7
85.02911	43.6
86.06069	0.9
86.09716	0.5
87.04472	0.8
91.03952	2.5
91.05467	2.4
93.07053	11.1
95.04977	1.2
95.08057	0.7
95.08588	3.1
97.02904	10.7
97.06547	1.5
99.04444	1.2
103.05451	1.0
105.07025	1.5
107.04955	1.2
107.08602	8.5
109.02890	4.6
109.06512	0.8
109.10165	2.0
111.08086	0.8
115.03932	0.8
116.07092	0.6
119.05005	0.7
119.08578	0.8
119.15891	0.5
120.90694	0.6
123.04445	0.8
127.03924	13.0
133.06496	1.7
135.04431	1.0
135.08127	0.7
135.11700	16.5
137.05983	8.0
139.03949	1.1
145.02863	1.0
145.04970	24.1
147.04419	1.1
147.08064	0.6
147.11777	0.6
151.03897	1.1
151.07562	0.9
152.07016	0.7
153.01877	0.9
153.05484	3.5
153.12755	100.0
155.21060	0.7
161.05983	0.9
161.09561	0.8
163.03934	9.1
163.06044	10.8
163.07568	1.9
167.07039	4.8
171.13828	1.8
175.07442	0.7
177.05522	0.8
179.07034	0.7
184.07407	0.9
193.08606	2.8
211.09717	3.4
264.90686	0.6
280.54111	0.6
289.09241	0.9
295.13190	0.7
305.83176	0.7
319.04553	5.1
325.11438	3.8
327.15921	1.3
329.02826	0.6
330.80487	0.5
367.47980	0.6
512.22064	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	512.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01880	1.0
57.03432	1.0
65.03922	0.5
67.05512	0.6
69.03449	0.6
69.07079	0.5
69.63430	1.6
69.63837	0.8
71.04996	4.7
75.04489	0.7
79.05497	3.0
81.03438	0.8
81.07049	0.8
83.04973	0.8
85.02912	6.7
87.04447	0.3
88.66936	0.3
91.05482	4.4
93.07041	0.6
95.04984	1.2
97.02893	0.6
102.84354	0.3
103.05475	2.5
105.07032	12.3
107.04976	1.3
108.05746	0.8
109.02897	0.5
109.06516	0.9
109.10103	0.5
111.04442	1.0
115.05457	0.7
116.49699	0.3
117.06986	0.3
118.04166	4.0
119.04945	5.1
120.05726	0.8
121.06495	1.0
122.07315	0.8
123.04443	0.4
123.08071	1.3
123.11731	3.1
124.05215	0.9
125.05968	0.4
127.03963	0.4
129.05476	2.7
130.04091	0.6
131.04910	1.1
132.05713	0.4
133.02859	0.4
133.06502	13.7
134.07291	0.8
135.04446	1.7
135.08096	2.3
136.05193	0.5
137.05978	7.2
142.93777	0.4
145.02803	0.7
145.04900	0.4
146.03656	1.3
147.04416	4.8
147.06467	1.8
148.05217	0.6
149.00497	0.6
149.05994	2.0
150.06769	8.1
151.07533	3.7
151.11166	0.9
152.08340	1.1
157.90057	0.3
159.86621	0.3
161.05978	2.2
162.06760	0.5
163.03926	6.3
163.07553	1.2
165.07765	0.5
165.09125	8.9
167.07057	6.5
169.12199	0.6
177.07849	0.6
178.06207	0.8
179.07033	3.9
181.04926	0.4
181.08678	0.4
183.10388	0.3
183.59627	0.3
193.03229	6.7
193.04897	0.8
193.08614	44.1
211.09660	100.0
212.10013	0.6
282.08014	0.9
292.85760	0.3
297.17062	1.9
307.08368	0.5
315.17969	0.8
323.15091	0.4
334.06296	1.2
335.06540	0.9
336.06940	1.5
341.13751	1.4
373.16403	0.7
512.18182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
55.05496	2.5
56.30173	0.9
56.35499	0.7
57.03426	1.4
61.63990	0.7
66.04719	1.1
67.05504	5.0
67.07506	0.8
69.03426	3.0
69.07072	4.2
70.06583	2.1
70.41715	0.9
71.04987	1.0
71.58791	1.8
72.26025	0.9
79.05505	5.0
81.03414	3.9
81.07058	6.4
83.04975	2.3
83.08624	2.2
85.02888	2.5
86.09702	1.0
86.16543	0.8
91.05489	8.7
93.07042	5.2
94.04175	3.5
95.04968	4.0
95.08601	3.8
97.02884	2.5
97.06546	2.3
97.10159	1.4
103.05463	3.7
105.07050	6.0
107.04984	1.8
107.08582	2.9
109.06499	2.9
109.10136	3.0
111.04471	1.0
111.08094	1.1
115.05467	1.9
117.07001	2.2
118.98267	0.9
119.04929	3.9
119.08587	3.6
121.06510	2.2
121.10117	2.3
121.98755	0.8
122.03648	8.8
123.04408	1.4
123.08060	1.2
123.11669	0.9
124.07703	0.9
127.03905	1.4
128.06209	1.7
129.06976	2.1
131.04922	6.2
131.08574	2.2
133.06494	2.8
133.10126	2.6
135.08031	2.2
135.11662	1.4
137.05986	100.0
138.06345	1.5
139.03882	1.4
141.06960	1.1
143.08557	1.9
145.06541	2.1
145.10164	2.2
147.04401	3.2
147.11714	1.6
149.05986	3.2
149.09628	1.5
151.07542	21.0
151.08659	1.7
152.06232	1.3
153.05571	1.3
153.06921	0.9
161.06023	4.1
161.13316	1.1
163.07579	12.9
163.11197	1.1
165.06982	3.6
165.09157	1.4
167.07066	3.8
167.08598	3.3
171.08037	2.1
174.06784	2.1
175.07564	4.3
177.09120	1.6
179.08546	1.7
181.04984	1.4
181.06467	1.1
182.07295	1.5
187.07561	2.0
189.09152	4.7
189.12701	1.0
193.06473	3.6
193.12166	0.9
195.08055	4.3
197.09674	1.6
201.09187	1.6
203.10600	5.0
207.08228	1.2
207.10284	1.2
209.09752	1.0
210.06790	2.5
211.07861	1.1
211.13217	1.3
213.09207	1.9
215.10869	1.0
221.05957	4.1
223.07533	1.9
224.08353	2.5
225.09123	3.5
227.10666	4.7
237.09111	1.1
238.06255	1.0
251.10742	1.8
253.08635	5.6
255.10207	6.0
267.10043	4.3
270.08844	1.2
281.11560	1.1
285.11212	12.9
287.12778	14.9
307.05963	1.2
313.14307	2.8
325.14383	1.6
337.14011	1.3
347.07596	1.5
348.07834	1.1
349.08096	2.9
349.23590	2.4
351.15826	4.3
415.18912	2.8
443.18060	1.3
475.21045	1.9
475.27121	1.3
493.11368	1.4
493.28018	2.2
511.13641	3.2
511.22787	1.3
511.29236	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	512.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46129	0.2
52.51194	0.2
53.03947	0.3
53.73383	0.3
55.01876	0.7
56.15404	0.3
57.03440	1.2
58.37999	0.3
58.99573	0.3
61.87582	0.3
62.44847	0.2
65.03942	0.3
66.12675	0.2
67.05507	0.6
69.03449	1.0
69.07076	1.0
70.06586	0.8
71.04994	5.0
71.57406	0.4
73.02913	0.4
75.04488	0.9
79.05484	2.9
81.03424	1.0
81.07062	1.1
81.54668	0.3
81.72517	0.3
83.04986	1.0
85.02908	9.7
87.04498	0.3
91.05487	3.9
93.07039	0.7
94.04198	0.3
95.04984	1.4
95.08616	0.3
97.02882	0.7
97.06523	0.3
99.04498	0.3
103.05465	3.3
104.06268	0.3
105.07034	12.1
106.85499	0.3
107.04958	1.3
107.08605	0.9
108.05756	0.5
109.02883	0.5
109.06533	1.1
109.10163	0.5
109.99023	0.3
111.04468	1.0
115.05460	0.8
115.73788	0.3
117.07043	0.4
118.04160	4.5
119.04948	5.2
120.05742	0.8
121.02884	0.5
121.06511	1.2
122.03645	0.3
122.07302	1.1
123.04453	0.5
123.08072	1.2
123.11718	4.0
124.05222	1.2
125.06033	0.5
127.03915	0.5
129.05493	3.4
131.04918	1.2
132.05690	0.6
133.02827	0.5
133.06499	13.6
134.07271	1.1
135.04401	2.6
135.08051	2.8
136.05200	0.4
137.05980	7.6
145.02895	0.6
145.04811	0.3
146.03633	0.4
146.06100	0.3
147.04414	5.5
147.06494	1.5
148.05217	0.6
149.00597	0.7
149.05984	1.9
150.06772	7.9
151.07545	4.0
151.11186	1.5
152.08331	0.7
153.05452	0.4
153.12749	0.3
161.05991	2.3
162.05482	0.4
162.06720	0.5
163.03920	6.0
163.06110	0.3
163.07552	1.1
165.05486	0.4
165.09117	10.4
167.07059	7.0
169.12227	0.6
177.05461	0.3
178.00830	0.8
178.06226	1.1
179.07040	4.6
181.04973	0.5
181.08539	0.5
183.61530	0.3
191.03787	0.3
193.03227	6.7
193.04907	1.1
193.08614	45.8
194.08911	0.4
211.09659	100.0
212.10011	1.1
269.59537	0.3
279.15970	0.4
282.07959	0.6
297.17059	1.2
315.17899	1.2
323.14862	0.5
333.05884	0.5
334.06284	1.1
335.06583	0.9
336.06781	1.6
341.13943	2.3
373.16312	0.6
512.18079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01926	1.3
55.05524	5.3
57.03430	4.7
57.07079	44.6
60.08144	3.3
61.02938	2.4
67.05505	12.0
69.07067	10.0
69.43749	5.9
69.44173	5.3
71.07388	1.4
71.08231	1.9
71.08634	35.4
75.04471	1.2
81.07061	17.0
83.08619	12.7
85.02898	3.4
85.10183	20.8
86.09708	10.3
88.91766	1.1
93.07063	1.8
95.08612	25.1
97.02903	2.5
97.10168	5.0
98.20636	1.3
99.11732	1.8
103.07617	1.2
104.10751	16.4
109.10158	14.7
110.04285	1.1
111.11707	1.4
119.04889	1.6
123.11700	5.0
125.00031	5.9
129.61246	1.1
137.13243	2.4
147.04454	5.3
160.81842	1.2
184.07339	19.1
198.60432	1.2
221.22688	2.1
239.23723	26.5
257.24866	5.8
298.27319	1.4
313.27374	100.0
314.27606	2.5
331.28421	18.1
339.28662	1.3
351.05917	1.2
406.89145	1.3
492.34079	1.5
510.35461	8.4
522.56317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	2.5
57.69790	0.8
58.06601	1.2
58.30358	0.7
67.05500	1.3
69.03461	1.0
70.06598	11.0
71.59595	0.9
71.60001	1.3
72.08147	1.4
79.05519	1.0
81.07076	1.5
84.08144	1.5
85.02943	0.8
86.09716	3.4
88.07631	1.9
89.06059	0.8
91.05470	1.1
93.07027	1.2
95.04985	1.0
104.02667	0.9
108.56477	0.8
118.42014	0.8
121.03978	0.7
125.86436	0.8
132.10194	5.9
133.90582	1.0
139.03868	1.0
146.11787	5.9
147.86333	1.0
149.02356	45.4
149.03389	2.0
152.12396	0.8
175.11867	1.0
188.48659	0.9
189.04346	0.9
193.04976	48.8
212.23703	1.7
237.07585	61.4
238.25328	1.9
256.26407	2.1
281.10336	1.3
292.03351	0.9
300.28989	25.5
448.30624	3.0
510.24530	2.9
510.34305	100.0
511.34644	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.6
57.03454	5.1
57.07082	100.0
61.02927	3.6
61.41995	2.5
67.05511	30.7
69.03436	12.1
69.07076	22.1
71.08640	77.4
71.61639	3.8
75.04494	4.0
81.03431	9.8
81.07063	41.9
83.08635	27.2
85.02904	22.4
85.10191	43.8
91.82494	2.2
93.07063	3.4
95.08613	57.1
97.02905	12.3
97.10189	17.6
99.04465	4.7
99.11764	3.4
109.02884	6.7
109.10168	35.4
111.11751	4.0
123.11735	10.2
125.13293	2.7
127.03938	19.6
132.01456	2.9
135.11719	2.4
137.13284	5.3
145.04967	13.4
147.04440	3.2
151.14857	2.3
160.70047	2.6
200.50360	2.2
221.22722	3.2
239.23724	72.5
257.24692	4.5
258.16910	2.7
298.27448	2.5
313.27390	89.8
329.26944	4.6
331.28381	18.3
339.29126	4.1
368.56607	2.4
383.27985	40.8
401.28973	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23746	0.4
53.03924	1.1
55.01658	0.4
55.01871	4.0
55.05513	13.7
57.03439	4.5
57.07061	1.9
62.06080	1.2
65.03922	0.5
67.05505	15.1
69.03440	2.0
69.07073	5.9
69.40318	4.4
71.04984	1.9
71.08635	10.3
78.07413	0.5
79.05064	0.5
79.05496	8.6
81.03408	1.5
81.07057	20.4
83.04976	3.2
83.08624	11.6
85.02898	0.9
85.06528	1.7
85.10195	2.3
91.04969	0.6
91.05484	8.7
93.07052	9.2
95.04971	2.5
95.08613	9.3
96.08134	0.5
97.06519	3.7
97.10161	1.8
98.98466	2.5
99.08099	7.2
105.07040	7.3
106.07349	0.5
107.04949	1.4
107.08598	6.4
109.06522	1.7
109.10165	4.6
111.08080	7.0
113.09652	2.8
115.05455	0.7
117.07020	0.9
119.08596	7.4
120.31168	0.4
121.10143	5.7
123.08073	1.5
123.11710	4.0
125.09615	1.2
127.03889	0.6
127.07553	0.5
127.11157	0.6
129.07008	1.7
131.08582	1.7
133.10133	5.5
133.72435	0.5
135.08040	0.7
135.11700	2.9
137.09610	0.7
137.13255	0.8
139.11157	1.4
143.08559	0.8
145.10127	1.9
147.11693	9.4
149.09625	1.8
149.13268	4.1
151.11179	3.3
152.93567	0.5
153.12740	1.1
157.10120	1.8
159.11638	1.0
161.13275	2.2
163.11176	1.8
165.12770	5.7
167.14334	0.7
173.02100	0.7
173.11742	0.5
173.13269	0.7
175.11186	2.0
175.14767	0.9
177.12773	0.5
179.14316	2.5
185.13321	0.8
189.12825	0.7
193.12233	0.7
198.97151	0.5
216.06310	1.1
226.79976	0.5
231.20935	0.7
241.19550	0.7
249.22153	1.2
259.20590	1.7
274.19409	0.6
277.21628	16.0
295.22729	5.4
320.25873	1.4
338.26932	1.3
351.25327	15.9
369.26367	100.0
370.26648	0.7
378.33176	0.4
431.22031	2.4
441.72504	0.5
474.26266	1.3
492.27347	1.4
510.28116	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
53.29163	0.3
55.01875	3.2
55.05512	13.1
55.05782	0.6
57.03437	5.1
57.07071	2.2
60.03630	0.3
62.06089	0.9
65.03939	0.4
67.05505	14.4
69.03436	1.5
69.07070	6.3
69.77637	2.1
70.32513	0.3
71.05002	1.7
71.08631	9.9
73.43181	0.4
79.05063	0.5
79.05493	8.5
81.03417	1.7
81.07057	20.3
83.04966	2.8
83.08618	11.7
85.02923	0.8
85.06551	1.4
85.10182	2.0
91.05477	8.9
93.06465	0.6
93.07045	10.1
95.04977	2.5
95.08604	9.2
95.09063	0.2
97.02930	0.6
97.06528	3.7
97.10160	1.3
98.06064	0.6
98.98472	2.3
99.08085	6.4
105.07027	7.9
106.27953	0.4
107.04932	0.8
107.08595	6.4
109.06522	2.3
109.10149	3.9
111.08078	5.7
113.09624	2.5
117.07014	1.0
119.08580	7.3
121.10146	5.4
123.08064	1.2
123.11722	3.9
125.09626	0.9
127.07615	0.4
127.11191	0.7
129.05521	0.4
129.07007	1.2
131.08568	2.5
133.10133	5.1
133.17207	0.3
135.08070	0.7
135.11702	2.9
137.09634	1.1
137.13243	0.8
139.11177	1.5
143.08649	0.7
145.10115	1.4
147.08052	0.4
147.11688	8.2
149.09607	1.6
149.13261	3.2
151.11163	3.4
153.12704	0.7
157.10138	1.8
159.11697	1.3
161.09677	0.4
161.13266	2.4
163.11200	1.4
165.12773	5.1
167.14317	0.6
171.11687	0.9
173.02051	0.6
173.13271	0.4
175.11159	1.7
175.14828	0.9
177.12762	0.8
179.14284	1.8
185.13202	0.4
191.14256	0.3
193.12260	0.4
195.13815	0.6
198.05247	0.5
207.13785	0.4
216.06366	1.3
231.21075	0.9
241.19565	0.9
249.22130	1.3
259.20575	1.8
277.21622	15.7
295.22684	6.1
320.25864	1.4
338.26932	1.5
346.68399	0.5
351.25290	16.8
369.26349	100.0
370.26724	0.6
431.21964	2.5
474.25912	1.3
492.27145	1.5
510.28134	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	510.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01871	2.1
55.05528	0.9
57.03230	0.4
57.03447	5.2
57.07076	0.9
59.05005	0.9
61.02930	8.5
61.15987	0.4
63.79517	0.4
67.05511	2.6
69.03434	19.3
69.07069	26.6
70.06593	1.0
71.04993	2.2
71.60176	0.7
73.02911	4.0
79.05477	1.3
81.03423	8.4
81.07065	9.4
83.05006	0.7
83.08665	0.5
85.02908	100.0
85.06490	0.5
86.03236	0.8
87.04465	2.6
88.03986	2.4
91.03965	5.3
91.05476	3.5
93.07052	1.4
94.69831	0.5
95.01332	0.5
95.05003	0.8
95.08602	3.1
97.02897	28.5
98.06049	0.6
98.27515	0.4
99.04456	4.9
100.11311	1.2
101.02385	0.6
103.03972	1.0
105.07034	1.1
107.08597	1.5
109.02885	8.9
109.06554	0.8
109.10158	3.6
111.04418	0.7
115.03923	1.1
117.03419	0.6
119.04961	6.7
121.06529	0.5
121.10135	0.6
123.11713	35.3
125.05949	1.3
127.03928	28.1
128.06287	0.6
133.10138	1.0
137.02361	0.5
137.05951	1.1
144.06581	0.8
145.04965	43.8
147.04417	29.8
147.05635	0.6
151.11189	34.5
153.01825	1.5
153.05511	4.0
154.06244	0.7
162.07607	0.5
163.06026	14.4
167.03436	1.3
167.07076	1.1
168.03763	1.1
169.12265	3.3
175.11885	0.5
177.05457	3.0
185.08119	5.7
204.08734	0.8
233.04601	0.8
258.05176	0.9
259.05753	2.3
260.06470	0.8
271.08151	0.6
276.05853	0.7
287.05038	1.1
288.05579	0.9
289.03500	2.0
289.09097	0.7
290.03778	2.5
303.04901	1.8
304.05518	3.5
305.06146	2.4
305.57642	0.5
313.16479	3.3
315.04987	1.2
316.05283	1.3
325.11365	0.7
331.04529	1.5
332.05151	18.1
333.05612	31.8
334.05859	1.7
347.07623	22.1
348.07980	61.9
349.08255	3.4
510.13235	28.8
511.13516	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65189	0.4
53.03934	1.6
55.01878	2.5
55.05516	0.8
57.02976	0.5
57.03438	4.8
57.07064	0.9
59.05006	0.5
61.02933	8.7
65.03911	0.7
67.05506	2.2
69.03074	1.0
69.03431	16.2
69.07066	24.2
70.04103	0.5
70.06601	1.0
71.00170	0.8
71.04993	2.7
73.02912	3.7
79.05490	1.1
81.03422	7.3
81.06590	0.6
81.07056	8.4
83.04982	1.0
83.08616	1.1
85.02906	100.0
85.06596	0.6
86.03238	0.6
87.04468	2.4
88.03978	1.9
91.03949	5.9
91.05483	3.5
93.07050	1.3
95.04970	1.6
95.08615	2.5
97.02892	28.5
98.06058	0.7
99.04461	4.5
100.11262	0.8
101.02401	0.7
103.03926	0.8
105.07022	1.2
107.04912	0.6
107.08607	1.4
109.02879	8.2
109.06563	0.8
109.10164	3.7
114.09129	0.8
115.03932	1.3
117.03355	0.6
119.04956	5.7
119.08583	0.5
121.06540	1.0
122.10490	0.5
123.04480	0.6
123.11711	38.1
125.05978	1.5
126.05530	0.6
127.03920	29.5
135.11688	0.6
137.05994	1.2
139.03934	0.6
142.28751	0.4
144.06589	1.5
145.02863	1.8
145.04962	48.7
145.32274	0.5
146.05261	0.7
147.04408	24.6
151.11185	37.3
153.01807	0.6
153.05473	3.2
154.06215	0.7
162.07648	0.7
163.06027	15.3
163.07338	0.5
167.03387	1.6
167.07050	0.9
168.03720	1.0
169.12239	3.3
177.05490	4.4
181.04884	0.7
185.08087	4.7
204.08621	1.0
209.08287	0.5
231.06296	0.6
234.04866	0.7
256.21790	0.5
258.05243	0.6
259.05780	1.6
260.06387	0.6
288.05984	1.0
289.03485	1.6
289.09503	0.7
290.03793	2.8
303.04901	1.3
304.05307	2.4
305.06195	1.7
313.16434	4.5
315.04926	0.8
316.05371	1.1
316.08881	0.6
325.11340	0.9
331.04462	1.4
332.05164	13.8
333.05609	23.7
334.05621	0.9
347.07590	17.6
348.07968	47.8
349.08173	2.4
350.65533	0.5
390.09467	0.6
510.13257	22.6
510.34592	1.3
511.13614	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51893	0.1
55.05508	0.1
55.41486	0.1
57.03415	0.5
61.02919	0.1
63.78315	0.1
67.05502	0.3
69.03418	0.3
69.42435	0.4
69.42844	0.8
70.06583	0.4
71.04980	0.2
73.02921	0.7
79.05492	0.4
81.03416	0.3
81.07041	0.3
83.04958	0.1
85.02900	0.9
91.05473	0.7
93.07017	0.2
94.04180	0.1
95.04961	0.2
95.08601	0.3
95.61813	0.1
97.02911	0.3
97.06528	0.1
99.23124	0.2
103.05476	1.2
105.03323	0.2
105.07018	0.4
107.04984	0.7
107.08585	0.3
109.02917	0.3
109.06522	0.2
109.10163	0.2
114.10326	0.2
115.03906	0.2
115.05447	0.2
117.07005	0.4
119.04939	0.6
119.08610	0.3
121.02872	0.2
121.06476	0.4
121.10101	0.2
122.03621	0.5
123.04424	1.1
126.03083	0.2
127.03945	0.2
129.07036	0.3
131.04929	2.4
131.33069	0.1
132.04449	0.3
133.06480	0.5
133.10123	0.2
135.04414	0.2
135.08067	0.3
137.02353	0.8
137.05984	6.3
138.02739	0.2
139.03870	0.3
140.04752	0.2
143.08530	0.3
145.04903	0.1
145.06491	0.2
145.07610	0.2
147.04408	0.3
149.05980	0.9
150.03116	1.6
151.03503	0.9
151.06407	0.3
151.07547	3.7
151.08774	0.2
151.11116	0.2
151.84105	0.1
152.04205	0.2
153.01840	3.9
154.02197	1.4
154.06267	0.2
157.06458	0.3
157.07620	0.4
161.05991	0.8
161.09665	0.2
162.06647	0.3
163.03918	1.2
163.07544	7.9
164.04239	0.6
166.02594	0.2
167.03394	0.5
167.07066	0.3
167.08574	0.4
168.03793	0.3
171.09158	0.7
175.03905	0.3
175.07558	0.7
175.14856	0.2
176.15172	0.3
177.05659	0.4
177.09114	18.9
178.02635	0.6
178.05835	0.2
178.09410	0.2
179.03207	0.6
180.03925	0.4
184.03279	0.2
189.09106	1.1
190.09615	0.2
191.03339	0.3
192.03923	0.2
194.02071	0.2
195.08038	0.4
195.10167	0.3
199.08678	0.9
203.10730	0.2
205.05003	0.5
206.05377	0.2
207.06490	0.7
207.10181	0.3
216.04124	0.2
217.04768	0.4
218.05449	0.2
219.02776	0.2
219.10052	0.2
221.05942	0.4
221.09700	0.2
221.11725	3.7
222.68860	0.2
223.07414	0.2
225.09122	0.2
227.10678	0.8
229.04913	0.5
230.05417	0.6
231.06131	0.4
233.04497	0.8
234.04774	1.1
241.04814	0.2
243.02974	0.5
244.03438	0.7
245.04222	0.5
246.04845	0.3
249.09073	0.2
253.08578	0.5
253.12265	0.7
255.10179	1.0
256.03442	0.2
257.04422	0.5
258.05161	2.2
259.05634	2.5
260.06366	0.4
261.03973	2.6
262.04297	2.9
263.04462	0.3
265.08478	0.2
266.08841	0.2
267.10077	0.2
269.04263	0.3
269.08167	0.2
270.04752	0.5
271.02423	0.2
272.02975	0.3
273.03632	0.7
274.04288	0.5
275.05505	0.3
276.05969	0.2
281.11664	0.4
285.11105	0.9
286.04581	1.5
287.05161	2.3
287.12875	1.6
288.05811	0.8
289.03439	2.5
290.03802	3.9
297.11176	0.2
300.02475	0.3
301.03336	1.0
302.03821	1.4
303.04926	0.9
304.05453	2.1
305.06085	1.4
311.12717	0.4
313.03412	0.2
313.14227	1.5
314.03806	0.6
315.04807	0.9
316.02036	0.3
316.05264	1.3
317.02893	4.7
318.03256	7.9
319.03384	0.4
331.04507	2.0
331.15427	5.7
332.05170	22.3
333.05612	36.7
334.05844	2.7
343.15430	0.6
347.07629	38.4
348.07962	100.0
349.08179	7.0
361.13708	0.2
379.15149	0.2
423.01523	0.2
510.13080	1.6
510.19000	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	510.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
70.65493	2.3
70.65861	2.6
73.02923	3.3
73.51611	1.2
81.07076	1.4
85.02937	1.9
91.05507	3.5
93.07011	2.2
102.50326	1.0
103.05476	4.7
105.07069	1.5
107.08565	1.7
109.06593	1.3
117.07021	2.2
119.05009	1.8
121.10143	1.8
131.04935	14.8
136.03951	2.6
137.05980	26.2
145.02742	1.7
145.06499	1.2
151.03967	1.4
151.07550	13.5
154.05052	2.4
161.05946	2.8
162.06819	2.3
163.07545	39.7
164.07843	1.2
175.07553	2.6
177.05531	4.5
177.09117	100.0
178.09538	1.5
189.09105	4.0
193.06558	1.6
195.08051	2.1
195.10164	2.6
210.06633	1.4
221.06142	1.1
221.11716	19.5
227.10724	4.0
255.10121	2.7
285.11386	2.3
287.12772	6.9
311.13007	1.5
313.14407	3.3
331.15399	17.3
343.15591	3.0
424.02487	1.2
510.22650	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01877	3.1
55.05518	9.5
57.03429	2.4
57.07076	31.4
65.03950	1.5
67.05504	37.8
69.03422	2.1
69.07069	14.0
70.08611	7.4
71.04998	3.8
71.08632	21.9
79.05508	10.8
81.07060	42.7
83.04975	3.8
83.08602	9.8
85.02926	1.4
85.06536	6.0
85.10191	9.7
91.05483	19.8
93.07043	11.1
95.04927	2.4
95.08616	20.5
97.06509	2.2
97.10159	2.8
99.04434	2.5
99.08142	1.6
105.07026	22.0
107.08589	22.1
109.06537	3.1
109.10159	53.4
111.11752	1.5
113.06051	2.4
123.11718	10.4
127.07568	2.6
133.10130	54.5
147.04417	2.9
151.11183	38.4
169.12274	12.5
215.12820	6.1
239.23753	5.0
253.14362	51.2
261.39551	1.6
284.20984	1.4
332.55133	1.7
372.64874	1.7
509.38400	100.0
510.38992	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01875	5.2
55.05513	25.2
57.03417	8.6
57.07080	13.4
67.05511	37.7
69.03427	9.5
69.07069	59.9
70.03732	9.5
70.04082	56.9
70.06577	5.4
71.04396	2.9
71.04971	2.6
71.08633	5.2
79.05494	21.2
80.11421	2.2
81.03417	13.0
81.07059	100.0
83.04987	5.0
83.08624	40.2
85.02910	19.5
85.06538	8.9
87.04462	3.4
91.05491	21.5
93.07055	27.8
95.04977	14.8
95.08613	94.7
97.02892	7.0
97.06521	7.6
97.10178	22.1
98.20771	4.8
98.97585	3.2
99.04461	2.6
99.08099	12.3
105.07055	13.7
107.04941	10.6
107.08598	26.8
108.73738	2.3
109.06546	6.0
109.10162	61.2
111.04474	2.5
111.08071	7.4
111.11724	21.3
113.51476	2.5
115.07601	4.1
117.06953	3.0
119.08567	10.4
121.02872	2.6
121.06496	7.4
121.10126	19.5
123.08040	5.7
123.11711	40.7
125.05962	3.8
125.09621	4.8
125.13271	15.1
127.03954	4.9
129.07011	4.4
131.08566	5.9
131.92204	2.3
133.05026	3.0
133.06461	5.5
133.10146	8.4
135.08058	4.1
135.11700	10.1
137.05981	17.2
137.13263	43.2
139.07629	2.8
139.11195	2.6
139.14798	4.7
140.27951	2.4
145.04919	3.7
145.10098	7.2
147.08067	3.1
147.11688	4.0
149.06001	3.6
149.09595	3.2
149.13287	24.1
151.07597	5.6
151.11212	2.6
151.14824	10.5
153.12666	2.7
153.16412	2.7
155.14284	4.0
159.08115	2.5
161.05998	6.7
161.09540	3.0
163.11224	8.1
163.14853	4.4
165.09044	3.7
165.16426	6.4
167.06950	3.6
167.14304	10.6
169.15912	2.8
173.09558	2.5
175.07626	3.8
175.11150	3.7
175.14798	2.3
177.05490	4.1
179.17932	5.7
181.04880	2.9
181.12306	4.0
193.12285	5.2
193.19553	5.2
195.10159	3.1
211.13281	4.0
219.21164	2.9
227.12656	4.1
255.09001	2.5
274.16031	2.9
275.27264	11.0
279.57184	3.1
281.28577	3.5
291.67892	2.5
293.28391	47.5
297.10941	2.5
311.29337	8.3
314.67429	2.3
332.05243	3.1
343.17603	3.5
347.07535	13.7
367.22604	2.9
385.23746	3.1
459.27255	2.8
473.14203	2.4
487.09637	2.6
509.16882	5.3
509.27347	18.7
509.33609	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	509.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	22.3
57.07088	20.0
64.85718	3.3
67.05510	23.1
69.07067	19.5
71.05011	5.3
71.08631	9.3
71.50603	8.6
79.05495	17.3
81.03407	7.6
81.07053	27.7
83.04983	10.3
83.08647	11.9
85.10172	22.4
89.06036	10.5
91.05489	14.1
93.07059	17.6
95.04979	15.4
95.08585	23.4
96.54889	3.8
97.06521	5.1
97.10173	8.0
98.50487	3.5
105.07027	12.2
107.04974	10.2
107.08606	14.8
109.06516	4.7
109.10170	12.5
113.09628	24.9
114.45525	3.9
119.08585	9.0
121.10161	7.1
125.09626	7.0
129.07024	6.2
133.08652	7.3
133.10141	15.6
135.11711	6.0
145.10123	4.6
147.11623	6.0
149.09660	4.7
151.11223	10.0
153.09256	4.9
163.11157	9.6
165.12735	28.5
169.12338	5.2
189.11229	5.2
275.20203	5.3
277.21646	44.3
293.21222	21.4
295.22696	100.0
509.37521	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	509.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	0.8
57.03457	0.3
69.03498	0.5
70.77854	0.4
70.78199	0.6
73.79534	0.3
81.03469	0.4
85.02983	0.8
97.02916	0.5
106.06618	0.3
108.04529	0.5
110.06062	0.3
123.41842	0.3
134.06099	0.3
137.03625	0.3
137.06032	0.7
138.05557	0.3
152.03503	0.8
160.04056	0.3
161.04851	0.3
162.05576	0.6
172.07646	0.3
176.07135	0.8
178.05040	1.7
180.11195	0.4
185.10820	0.3
187.05119	0.7
197.71036	0.3
199.08727	1.5
200.09679	0.3
201.06668	1.1
201.10306	0.8
204.06664	0.4
205.06229	0.8
210.09187	0.4
211.08737	0.5
212.10931	0.4
213.06703	1.9
213.10205	1.8
215.11813	0.5
219.07632	0.5
223.08780	0.6
227.08148	3.5
227.11887	0.9
229.09741	1.6
229.13440	0.4
231.07620	2.0
237.10405	1.2
238.08682	1.0
240.10312	0.5
241.06065	0.5
241.09747	2.7
243.11325	0.6
245.09311	0.6
251.08275	0.6
255.07722	5.5
255.11345	3.0
256.09805	0.3
257.09323	1.1
257.12924	0.8
259.10992	0.6
265.09747	2.2
266.08163	0.5
267.07751	1.2
269.09238	4.2
273.08740	3.6
275.10364	0.4
275.13928	0.5
283.07571	0.5
283.10767	9.6
286.04791	0.7
287.10291	2.2
293.09207	3.5
301.11862	2.4
301.58905	0.3
311.10272	22.5
314.04300	0.5
319.12912	1.1
329.11334	38.3
330.11496	0.4
331.04520	0.6
332.05392	0.8
347.12372	100.0
348.12671	1.3
396.22620	0.3
409.45316	0.4
509.11349	1.8
509.18082	0.9
512.10175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
57.03421	1.0
59.29891	0.5
61.02910	0.5
63.60629	0.6
64.95857	0.6
67.05511	1.3
67.52003	0.5
69.03416	1.6
69.07082	0.7
70.06585	1.3
71.12385	1.0
72.08154	1.0
73.02904	0.8
73.13399	0.6
78.04701	0.6
79.05476	1.1
81.03426	4.4
81.07042	2.2
83.30740	0.5
85.02935	3.1
85.03362	0.5
89.03933	5.6
91.05490	2.9
93.07038	1.0
95.04961	1.2
95.08602	1.3
97.02892	1.2
103.05444	0.8
105.07085	0.5
107.04971	1.4
107.08595	1.2
109.02906	1.3
109.10147	1.1
111.04430	1.6
111.41528	0.6
114.10299	1.1
117.03393	16.9
119.04919	0.8
121.06562	0.8
121.10127	0.9
123.04372	0.7
123.11708	0.7
125.09676	0.7
127.03926	1.7
133.02887	0.7
134.03650	1.7
135.04431	1.2
137.05974	3.2
139.03908	2.3
145.02855	42.7
146.03337	0.7
147.04425	0.6
149.05994	6.3
149.13277	0.6
151.03851	1.0
153.01866	1.1
153.05507	0.7
155.03386	2.2
156.03772	0.6
161.06015	3.0
161.09669	0.6
163.03909	1.7
163.07516	0.9
167.06989	1.4
170.05757	7.4
171.06161	3.3
175.04034	0.6
177.05475	100.0
178.05745	1.6
179.19714	0.6
186.02893	0.6
186.05510	1.3
187.17397	0.6
189.09137	1.5
195.06572	2.3
207.06517	2.3
207.10124	1.5
223.05992	0.7
237.02844	0.6
237.07768	1.1
258.34692	0.5
261.07568	1.9
277.65802	0.7
279.08640	0.8
286.04974	0.6
287.05383	0.8
317.02942	1.7
321.09787	4.9
331.04401	0.6
332.05194	3.7
333.05991	1.3
339.10782	4.2
347.07617	18.0
347.11801	1.1
466.89984	0.6
480.88708	0.6
509.12210	0.8
510.18936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1295
Annotation	8,3',5'-Trihydroxy-7,4'-dimethoxyisoflavone 6-O-glucoside
Peak:m/z	Relative Intensity
50.59888	0.4
50.91093	0.4
53.03937	0.9
55.01868	0.6
61.02919	0.8
69.03419	1.6
70.06588	0.6
71.57611	0.7
79.05498	0.5
81.03419	1.3
84.08152	0.5
85.02916	4.8
91.05514	0.9
95.04967	0.7
97.02887	1.9
107.04922	0.6
109.02875	0.8
120.08109	1.0
124.07640	0.5
127.03932	1.4
131.04959	0.4
137.05977	1.4
139.03944	0.8
145.04967	0.6
147.04401	0.4
149.05956	0.5
150.03134	1.2
151.03952	0.7
151.07579	0.7
153.01820	3.0
159.07921	0.4
162.03026	0.4
164.07111	0.5
167.03502	0.4
167.06998	0.8
177.05450	0.6
178.02609	1.0
181.04973	1.0
187.07535	0.5
189.09164	0.7
192.07799	0.6
193.12273	0.8
230.05855	0.6
233.04572	0.7
233.08136	0.5
243.03064	0.7
257.04443	1.0
258.05267	1.8
261.03918	3.4
285.03827	0.7
286.04602	2.1
287.05536	1.0
289.03513	3.2
299.13989	0.5
301.03488	1.2
303.05014	1.7
304.05899	1.5
315.04889	1.1
317.02954	5.8
331.04568	3.1
332.05283	38.7
333.05621	0.8
347.07632	100.0
348.08096	1.3
435.75684	0.5
509.17432	1.1
509.25751	1.7
536.56616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1295
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.03930	0.3
55.01851	0.3
57.03397	0.7
61.02895	0.8
62.69162	0.2
67.05462	0.8
69.03435	3.4
69.07043	0.5
70.18063	0.9
71.04982	0.3
73.02887	0.5
79.05459	0.2
81.03419	1.3
81.07027	0.9
85.02444	0.3
85.02909	5.8
85.06502	0.2
87.04429	0.7
91.03927	0.4
91.05455	0.5
93.02037	0.2
93.07020	0.3
95.04928	0.3
95.08577	0.6
97.02904	2.1
99.04443	0.4
100.11256	0.3
101.13219	0.2
103.03924	0.3
107.08554	0.4
109.02882	1.1
109.10215	0.3
121.02857	0.2
123.11670	0.4
125.62581	0.2
126.03087	0.6
127.03973	1.1
135.08064	0.3
135.32747	0.2
137.02240	0.3
137.05954	0.5
140.04724	0.3
145.04903	0.5
147.04358	0.7
151.03905	0.5
151.11223	0.3
153.01833	2.1
165.01668	0.2
166.02602	0.3
167.03436	3.3
179.59171	0.2
180.04129	0.4
189.09076	0.2
193.04973	0.3
202.06213	0.3
205.04956	0.3
207.02843	0.4
219.06577	0.5
220.07310	0.3
222.05177	0.3
230.05750	0.8
233.04456	2.1
245.04634	0.3
247.05893	0.3
248.06908	0.3
249.90216	0.3
257.04520	0.6
258.05258	2.6
259.06024	1.4
261.03995	0.4
273.03848	0.3
275.05411	1.2
285.04047	0.3
286.04678	1.4
287.05505	1.4
289.03433	6.0
301.07025	0.7
302.04178	0.5
303.05020	5.1
304.05762	4.0
315.05002	3.8
331.00610	0.4
331.04510	6.7
331.08365	0.4
332.05280	53.7
333.05725	1.2
345.06021	0.4
346.06857	0.5
347.07617	100.0
348.08038	1.5
389.08896	0.5
499.12933	0.2
509.12943	34.9
509.34436	0.9
509.40933	0.5
510.13370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1294
Annotation	8,3',5'-Trihydroxy-7,4'-dimethoxyisoflavone 6-O-glucoside
Peak:m/z	Relative Intensity
50.16530	0.3
63.16732	0.3
67.05483	0.8
69.03414	0.7
69.07038	0.3
69.46756	2.9
70.06580	0.8
71.97306	0.3
79.05494	0.7
81.03417	0.6
81.07037	0.9
85.02900	1.1
91.05461	0.9
92.38960	0.3
93.07052	0.5
95.04979	0.3
95.08603	1.0
97.06507	0.4
103.05454	0.3
105.07063	0.7
107.04933	0.6
107.08585	0.5
109.02850	0.5
109.10171	0.5
121.10146	0.4
123.04430	0.4
123.08060	0.4
127.03911	0.7
131.05003	0.3
132.04437	1.0
137.05983	1.7
137.09547	0.4
149.05968	0.5
150.03087	1.8
151.03876	0.7
151.07471	0.4
153.01834	3.1
161.06039	2.1
161.09735	0.5
165.01823	0.5
175.07477	0.3
177.05481	0.9
178.02676	0.5
181.04930	0.4
189.09096	1.5
207.10118	1.2
217.05035	0.6
230.05713	0.4
233.04500	0.4
243.02835	0.5
244.03719	0.4
252.30325	0.4
257.04550	0.6
258.05151	2.5
259.05975	0.8
261.03983	3.0
269.04309	0.5
273.03769	0.5
285.03925	0.5
286.04678	2.3
287.05508	0.7
289.03470	4.0
294.07886	0.3
301.03436	1.6
303.05075	1.2
304.05789	1.2
315.04980	1.0
316.02017	0.5
317.02927	7.7
331.04471	4.4
332.05264	37.0
333.05774	0.7
347.07605	100.0
348.07935	1.6
425.45316	0.4
509.12552	1.0
509.19690	0.5
510.13834	0.7
532.11835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1288
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
50.54224	0.2
53.03928	0.6
55.01857	0.5
57.03442	1.0
61.02923	1.5
62.16862	0.2
63.74053	0.2
64.60131	0.2
67.05454	0.2
67.62946	0.2
69.03429	4.7
69.98861	1.0
71.01323	0.3
71.04977	0.4
71.18555	0.2
73.02889	0.9
81.03413	1.4
85.02908	8.4
87.04435	0.8
89.03906	0.2
91.03947	0.4
91.05473	0.3
95.04934	0.4
95.76012	0.2
97.02297	0.2
97.02891	2.9
98.21481	0.2
99.04419	0.8
103.03935	0.3
103.10016	0.2
107.04930	0.2
109.02883	1.4
117.03389	1.0
119.04951	0.5
121.02856	2.4
127.03916	1.6
129.15369	0.2
137.02296	0.3
137.05954	0.4
139.03883	0.8
145.02835	2.2
145.04926	0.8
147.04366	0.6
149.05977	0.3
151.03943	0.4
153.01794	1.9
153.05435	0.3
162.78979	0.2
163.03909	0.4
165.01859	0.4
167.03394	0.3
167.07028	0.3
175.03854	0.6
177.05466	4.7
179.03282	0.3
181.04982	0.7
191.03452	0.7
205.04977	1.2
207.06516	1.6
216.04060	0.2
219.02902	0.3
229.04959	0.4
231.06485	0.3
233.04453	2.3
243.02982	0.3
244.03638	0.5
255.17088	0.2
257.04428	0.5
258.05270	1.0
259.05969	0.5
261.03952	7.0
265.07080	0.3
269.04410	0.2
285.03839	0.3
286.04688	0.7
287.05576	1.0
289.03421	6.4
299.02032	0.4
301.03427	0.6
302.03912	0.3
303.04941	1.0
314.04233	0.7
315.04971	1.6
317.02921	39.2
318.03256	0.6
319.08337	0.2
331.04550	2.2
332.05267	25.2
333.05753	0.7
341.02826	0.2
345.06012	0.6
347.07608	100.0
348.07941	1.3
356.05283	0.2
371.07587	0.3
389.08646	1.1
509.12857	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	509.1292
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03941	0.7
53.26436	0.4
53.92334	0.4
55.90685	0.4
57.03426	0.6
61.02926	1.4
69.03413	1.9
71.11948	0.7
71.12283	0.8
73.02922	0.7
74.36521	0.4
75.58589	0.5
78.64417	0.4
81.03406	0.5
85.02905	6.8
91.03928	1.0
97.02893	2.2
107.04887	0.4
109.02892	0.9
111.36269	0.4
121.02854	0.6
121.50718	0.4
126.03165	0.5
127.03910	1.0
137.02359	0.7
139.03896	2.3
140.75005	0.4
145.04982	0.6
150.03156	0.8
153.01833	5.7
153.05447	2.8
154.06258	0.7
165.01881	2.2
178.02538	0.5
181.04979	0.9
207.06439	0.6
213.05458	0.8
216.04219	0.6
229.04953	1.2
230.05714	0.5
231.06454	1.0
243.02902	0.5
244.03758	0.8
257.04462	0.7
258.05231	4.3
259.06076	2.0
261.04062	0.7
269.04446	0.8
272.03018	0.5
283.02390	0.5
285.03979	1.2
286.04761	3.5
287.05542	6.7
289.03381	1.3
291.08609	1.2
297.04141	0.6
301.03482	1.1
302.04263	0.6
303.04913	2.0
304.05774	0.8
314.04269	1.2
315.04922	2.8
316.05542	0.5
317.02829	2.5
318.07248	0.7
331.04453	5.2
332.05240	10.8
347.07602	100.0
348.07932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0929
Annotation	Patuletin 3-glucuronide
Peak:m/z	Relative Intensity
50.79784	0.7
54.15116	0.7
54.62866	0.8
55.05497	1.7
57.03433	1.3
61.01139	0.7
67.05517	4.4
69.03423	1.6
69.65833	2.5
69.66264	3.2
70.06537	0.8
71.01350	1.6
71.04984	1.2
72.08145	0.7
73.02933	3.9
74.99049	1.8
79.05507	1.0
85.02910	11.8
86.09725	1.0
95.01340	1.2
95.04984	4.9
95.67200	0.7
97.02897	1.8
100.11252	2.2
101.04266	2.4
103.03897	1.1
109.02887	2.0
111.00790	1.2
111.04385	1.0
113.02359	2.4
113.05971	1.5
115.05817	0.8
117.46818	0.8
120.08086	1.0
121.02892	1.6
121.10127	1.0
123.04421	1.0
127.03902	1.4
131.03394	2.8
133.10110	0.7
137.02356	1.5
139.03908	2.5
141.01855	1.3
143.05284	5.0
151.03925	2.9
153.01779	5.3
159.02905	1.4
159.04802	2.1
163.03941	2.3
165.01869	2.1
167.03450	1.6
167.07066	0.9
177.05728	1.0
181.04962	0.8
182.15349	0.8
193.04991	0.7
207.05078	7.3
214.63448	0.8
217.04971	1.7
219.00853	0.8
219.02951	2.1
233.04565	1.4
237.14342	1.8
238.16045	0.9
244.03731	1.8
245.04478	2.8
246.14894	4.0
246.65048	1.6
271.91461	0.8
273.03882	4.1
277.07040	1.1
287.05417	1.4
289.03247	1.8
290.04361	1.1
300.02548	1.3
301.03510	5.6
310.13461	0.7
318.03720	8.5
333.06061	100.0
334.06476	2.0
347.07666	2.4
509.17389	0.9
509.25952	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61572	0.3
55.05493	0.7
56.05040	0.4
60.08170	5.8
67.05492	0.6
67.73228	0.4
69.07056	0.9
71.07380	2.3
72.32587	0.3
75.76601	0.4
81.07062	0.8
83.08620	0.6
86.09710	29.9
95.08604	1.0
98.21446	0.9
98.98464	2.9
104.10757	3.0
121.02839	0.3
125.00012	17.9
147.04482	0.4
184.07349	100.0
325.27582	0.4
340.42734	0.4
490.32840	1.1
508.33990	4.0
518.81348	0.4
519.37878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	7.0
55.01850	12.4
55.05521	32.7
57.03431	23.7
65.03927	5.7
67.05511	84.5
69.03408	6.5
69.07069	70.5
69.33719	36.2
69.34138	17.1
70.06599	8.8
70.07401	5.6
71.04994	8.1
79.05495	65.6
81.03417	13.7
81.07056	100.0
82.03728	5.6
83.04977	16.0
83.08617	19.7
85.02895	10.6
85.06546	9.9
91.05493	60.3
93.07053	66.9
95.04968	23.0
95.08609	48.3
97.06529	23.8
97.10194	9.7
98.06075	8.2
98.98476	5.8
100.07618	5.3
105.07043	45.3
107.04987	14.2
107.08605	44.8
109.06523	13.2
109.10179	24.5
111.04469	7.5
111.08095	8.0
117.07027	18.6
119.08596	33.8
121.06551	9.7
121.10167	22.8
123.08053	7.4
123.11710	6.4
129.07034	10.0
131.08568	25.0
133.10165	25.0
135.08095	6.1
135.11707	22.8
143.96794	5.2
145.10158	25.0
147.11725	17.7
149.09599	14.9
149.13293	13.1
156.49153	5.4
157.10155	9.0
159.11693	18.1
163.11162	9.0
169.10201	9.1
171.11653	9.1
173.13286	7.1
177.12808	6.3
179.14317	9.2
193.12311	6.1
195.13919	5.5
220.17036	11.5
238.17999	7.9
239.18066	6.3
255.15981	29.3
257.19223	10.8
269.17450	55.0
275.19986	27.2
318.24417	7.8
331.22861	37.7
345.09854	5.7
346.10034	13.0
349.23779	83.2
367.24847	81.7
374.17502	12.9
378.16577	9.1
392.18341	39.1
401.07996	5.4
416.21579	7.1
472.24564	20.6
508.22501	10.8
508.29822	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	508.2673
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
53.03936	1.5
55.01878	3.0
55.05263	0.7
55.05512	8.2
57.03182	0.5
57.03445	5.4
63.54521	0.4
65.03937	1.2
65.92427	0.5
67.05508	18.4
67.78284	0.4
69.03428	1.1
69.07071	14.7
69.52148	3.9
71.04990	1.4
79.05496	15.7
81.03413	1.6
81.07063	46.7
83.04985	2.8
83.08616	6.4
85.02922	1.0
85.06526	1.5
91.05489	11.6
93.07052	12.4
95.04972	4.5
95.08054	0.8
95.08617	13.1
97.06547	3.8
97.10178	1.4
98.06043	0.7
98.98466	2.2
99.08086	1.0
105.07032	10.8
106.42327	0.5
107.04976	3.0
107.08601	7.4
109.06531	8.0
109.10171	4.7
111.08103	2.6
117.07026	2.7
119.08592	10.0
121.06521	1.6
121.10149	6.4
123.08058	3.7
123.11708	4.0
124.01685	0.8
125.09692	0.9
129.07080	1.2
131.08600	5.3
133.10156	7.3
135.08023	1.8
135.11703	3.7
137.05977	0.6
137.09615	1.9
137.13260	0.9
143.08575	1.1
145.10136	4.0
147.08073	0.8
147.11702	9.4
149.09666	3.1
149.13240	3.4
151.11150	1.1
154.22279	0.6
155.00960	0.6
157.10114	2.4
159.08098	0.6
159.11705	3.5
161.09668	1.1
161.13239	1.2
163.11195	2.6
165.12779	2.7
169.10231	0.8
171.11705	1.2
173.13274	1.4
175.11227	1.8
177.12767	1.4
179.14444	0.7
183.11736	0.5
183.25697	0.4
187.11189	0.7
187.14774	0.9
191.14336	0.7
193.12279	0.6
195.13765	1.0
197.13257	0.5
198.05334	0.7
207.13835	0.5
216.06316	1.2
219.13826	0.8
229.19539	0.8
239.17957	0.8
247.20558	1.5
257.19022	2.0
260.21997	0.5
275.20081	15.7
293.21170	5.4
318.24399	1.1
328.28610	0.5
336.25415	1.2
346.09634	0.8
347.07919	0.5
349.23746	17.0
367.24814	100.0
368.25232	1.3
403.10458	0.5
429.20517	1.2
472.24680	0.9
490.25589	0.9
508.26755	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17437	0.4
53.22422	0.3
54.01834	0.4
66.97575	0.4
69.03428	1.3
69.94063	1.2
69.94466	1.0
70.06591	0.8
72.08134	0.4
77.23171	0.4
81.03435	0.8
84.04496	0.7
85.02889	1.4
88.56892	0.3
91.05466	0.7
95.04986	0.7
96.75137	0.4
97.02871	1.0
100.47044	0.4
111.04449	0.6
119.04967	0.7
123.04458	1.1
132.04485	0.6
137.06038	0.4
139.03891	0.6
145.02615	4.1
147.04440	1.1
153.01730	0.5
153.05302	0.5
158.99844	0.4
166.08643	0.5
167.07047	0.7
169.04861	0.9
213.09201	0.6
215.05324	0.5
359.09500	13.3
377.10529	0.8
386.10629	2.7
453.13821	0.6
481.13202	1.7
491.59760	0.5
508.14291	100.0
509.14401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01438	0.9
53.03934	1.1
54.96017	0.9
55.01872	2.5
55.05273	1.0
55.05511	13.4
57.03431	3.1
64.76736	1.1
65.21487	0.8
67.05171	1.1
67.05505	15.6
69.03410	3.8
69.07069	8.9
71.04986	2.0
71.08286	1.1
71.08633	14.6
71.58071	1.6
79.05491	10.4
81.03400	3.8
81.07059	12.3
83.04958	2.7
83.08623	4.9
91.05479	7.6
93.07034	8.1
95.04993	4.4
95.08606	5.4
97.02873	1.0
97.06516	1.5
97.10183	8.6
98.98468	2.8
99.08086	10.4
105.07030	4.9
107.04948	2.0
107.08592	6.3
109.06483	1.1
109.10162	5.3
111.08038	1.1
117.07018	2.2
118.85253	0.8
119.08585	3.0
120.95429	0.9
121.10126	2.3
125.09626	6.5
131.08574	1.3
133.10104	3.5
135.08057	1.6
135.11688	2.0
137.09584	1.5
145.10124	1.6
147.11604	1.0
149.09592	1.5
149.13303	1.1
151.11162	1.7
163.11224	2.0
167.10719	1.8
177.12659	1.4
189.11171	2.9
193.12328	1.3
227.12712	1.6
229.65749	0.9
232.80132	0.9
247.20465	1.4
267.15851	1.0
275.20065	4.7
282.50134	1.1
293.21103	52.5
336.25275	2.1
347.04007	0.9
349.23587	1.7
366.01816	1.2
367.24792	100.0
385.08600	1.0
429.20422	2.8
447.21381	1.4
460.26343	1.0
490.25555	1.1
508.25940	4.9
509.27634	1.6
509.52673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49067	16.1
55.05506	49.6
59.01846	14.4
67.05509	96.8
69.07085	35.1
70.04090	82.8
71.07453	16.2
71.08642	23.5
79.05510	73.2
81.07068	100.0
83.08613	39.4
85.06615	16.5
91.05506	51.6
93.07047	73.6
95.04955	21.4
95.08604	43.8
105.06998	44.5
107.08589	47.2
109.10171	26.0
111.08060	23.4
119.08616	15.5
121.10208	29.2
130.05069	18.4
131.08580	25.8
133.10130	31.8
135.11676	26.7
136.80853	16.7
138.82314	18.3
139.58215	16.7
145.10129	21.7
147.11627	18.1
149.13252	29.3
151.11218	21.8
163.18948	15.9
171.11690	20.4
195.13824	23.1
235.25223	15.7
277.21613	44.3
295.22678	43.7
393.26807	14.5
427.25949	16.0
429.26297	16.2
507.29013	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02662	0.8
53.03943	1.0
55.01863	2.3
55.05510	7.7
55.56187	0.7
57.03441	1.6
57.07070	2.0
65.03945	1.4
67.05505	11.9
69.03413	2.6
69.07075	10.7
70.06593	1.1
71.04984	1.7
71.08630	2.3
71.57782	0.9
72.08169	1.3
77.72315	0.8
79.05497	7.6
81.03413	3.4
81.07062	28.6
83.04977	2.7
83.08624	7.9
85.02918	5.3
85.57343	0.9
91.05484	6.0
93.07047	10.9
95.04981	3.3
95.08614	22.9
97.02865	1.0
97.06535	1.7
97.10172	5.0
99.04478	0.8
100.11245	1.1
105.07040	4.8
107.04953	2.1
107.08595	10.0
109.02914	1.0
109.06497	1.7
109.10163	15.3
111.04444	2.8
111.08106	2.0
111.11726	2.6
117.06986	1.3
118.78860	0.7
119.04880	1.2
119.08570	4.5
121.06517	1.7
121.10136	7.4
123.11731	8.0
125.09625	2.1
125.13356	0.8
129.07007	1.4
131.08565	1.5
133.10150	3.2
135.11690	6.5
137.06004	2.8
137.09634	1.2
137.13246	3.5
140.25409	0.8
143.08412	0.8
145.06560	1.1
145.10109	2.4
147.04379	0.9
147.11681	3.7
149.05894	1.2
149.09692	0.9
149.13295	5.0
151.03883	2.4
151.14790	1.8
153.12859	0.9
161.09622	1.1
161.13277	1.3
163.11194	1.9
163.14819	3.4
165.12741	1.6
167.03494	1.6
167.07054	1.8
170.53064	0.9
175.11118	0.9
175.14738	1.1
177.12860	0.9
177.16415	1.3
181.04962	2.2
182.15359	1.2
187.07527	1.1
189.05412	0.9
191.07037	0.9
191.10722	1.2
191.18034	0.9
193.12325	1.4
196.13405	0.9
208.63702	0.9
210.14957	0.9
217.19421	1.8
223.13310	0.9
231.06523	2.4
234.67842	0.9
259.06076	5.0
263.27325	1.3
273.25830	3.8
275.20126	1.5
275.82169	0.9
277.29599	0.8
287.05606	8.3
291.26822	5.4
298.24960	1.0
301.07080	2.3
302.07721	1.4
309.27847	4.7
313.06989	0.8
315.05020	13.4
316.05466	1.3
329.06549	12.1
330.07349	46.1
331.07864	4.6
345.09705	100.0
346.09952	6.2
349.23611	1.1
367.24841	7.1
415.20929	1.9
433.22073	1.6
461.88849	0.8
507.14798	5.6
507.29163	2.4
507.39261	2.0
526.60809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19907	1.1
53.03938	1.9
55.05511	8.8
57.03438	2.3
57.07081	11.2
59.30497	1.0
60.18560	0.9
67.05507	32.5
69.07066	9.4
69.45900	3.6
69.46329	5.8
71.04996	1.2
71.08630	7.9
79.05499	9.5
81.03429	3.0
81.07060	27.3
82.03793	1.1
83.04980	2.2
83.08632	9.7
85.06544	1.6
85.10176	3.0
91.05463	9.1
93.07055	14.8
95.04966	2.6
95.08617	18.1
97.06560	1.6
97.10155	5.7
105.07037	6.0
107.08593	8.8
109.10159	13.2
110.61575	1.1
111.08067	1.5
117.07043	4.1
119.08606	4.7
121.10133	5.3
123.04472	1.8
123.11722	4.6
125.09628	1.4
131.08600	3.2
133.10112	5.5
135.11655	4.9
145.10097	1.9
147.11676	2.3
149.09592	1.2
149.13274	5.7
159.11717	3.3
163.07571	3.1
173.11781	2.6
173.13246	1.9
177.09105	1.1
177.12706	1.5
195.13829	2.0
217.01373	1.1
227.12782	2.7
229.14394	9.6
229.46582	1.1
239.23701	2.6
261.22202	5.1
264.35190	1.1
269.65952	1.0
272.01074	1.2
275.34109	1.0
335.25775	5.5
372.51511	1.1
397.31067	2.7
412.06546	1.1
415.32028	1.2
433.33646	1.2
451.28619	1.1
471.34851	2.2
489.35788	13.4
507.27292	100.0
507.40567	36.8
508.27359	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	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.01895	5.8
55.05510	23.9
56.96572	4.2
57.03437	5.1
57.07072	13.5
67.05499	44.5
69.03420	10.4
69.07066	52.3
69.36662	39.1
70.06590	6.0
71.08631	5.8
79.05498	38.2
81.03429	12.4
81.07054	100.0
81.07520	6.3
83.08617	23.8
85.02910	20.9
91.05463	28.6
93.07051	49.6
95.04972	14.6
95.08610	97.0
97.02896	8.3
97.06533	8.8
97.10168	20.1
98.21477	6.6
105.07027	32.4
107.05000	8.2
107.08591	36.6
109.10150	62.7
111.04453	4.3
111.08058	6.8
111.11726	8.4
115.67258	4.8
117.07026	8.7
118.33961	3.9
119.08605	12.8
121.06476	6.4
121.10146	31.9
123.04506	5.9
123.08083	9.0
123.11723	36.8
125.09641	5.2
125.13271	9.1
131.04890	5.9
131.08569	9.2
133.10135	15.8
135.11699	39.9
137.05975	18.1
137.09679	4.2
137.13268	19.8
139.11108	4.6
141.74699	4.2
145.10141	6.7
145.16414	5.3
147.11682	23.0
149.13239	30.8
151.03864	6.8
153.12733	6.5
159.11723	4.4
161.13225	6.1
163.07574	7.4
163.14838	14.8
165.16449	6.7
167.07050	7.7
169.10126	4.3
175.07585	5.6
177.05536	6.1
177.16428	9.3
183.13966	4.6
184.07394	5.1
191.10692	5.4
191.17972	8.2
203.07394	4.7
203.17940	4.9
204.07170	5.2
217.19553	10.6
247.24187	6.1
273.25851	22.6
291.27002	23.0
309.27872	8.2
329.06564	9.9
331.08124	6.3
345.09537	34.1
349.23718	9.6
359.48093	4.9
367.24982	5.1
374.18164	5.3
397.20105	6.0
475.26837	5.7
489.25272	5.2
507.21738	57.9
507.28760	9.7
508.22739	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	507.3321
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
53.03945	5.5
55.01868	10.8
55.05519	26.2
57.07080	32.7
59.04982	6.1
67.05513	34.1
69.07060	15.5
71.08636	25.0
71.58998	6.7
77.15954	3.4
79.05498	35.6
81.03408	13.0
81.07063	67.4
83.04975	13.0
83.08627	20.2
85.10184	19.6
89.06026	27.0
91.05468	18.9
93.07050	39.3
95.04993	19.2
95.08617	21.4
97.10168	16.6
105.07030	17.5
107.04953	6.5
107.08606	26.9
109.06489	7.8
109.10175	17.2
111.04418	4.7
111.08111	5.1
117.07043	10.8
118.80949	3.4
119.08593	23.8
121.06526	6.6
121.10145	15.6
123.08096	11.0
123.11752	5.9
125.09644	16.4
126.83660	4.1
129.06985	5.5
130.43027	3.7
131.08572	13.4
133.08589	14.5
133.10136	10.6
135.08032	4.6
135.11731	19.9
143.08565	8.0
145.10141	16.8
147.08099	9.2
147.11679	4.5
149.09637	7.6
153.09157	4.4
159.11829	5.2
161.09686	6.4
163.11206	14.3
165.09093	7.0
171.11678	3.9
177.11226	7.0
181.12279	8.6
189.11255	9.2
200.18309	3.5
223.13152	5.5
227.12909	5.9
251.52928	4.0
255.17421	4.8
273.18573	20.0
275.19974	20.6
277.21719	4.3
291.19547	100.0
303.90244	6.9
309.20761	5.1
435.71118	3.9
459.02725	3.9
489.36041	4.6
507.32889	47.9
507.39639	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	507.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05504	6.9
57.03440	4.8
57.07076	17.6
59.04996	0.9
67.05168	1.4
67.05508	19.1
69.03437	0.9
69.07075	9.5
69.36483	0.9
69.50847	7.8
71.04999	2.2
71.08638	11.6
79.05497	7.8
81.03425	3.6
81.07062	23.8
83.04977	3.0
83.08619	8.3
85.10176	5.7
91.05489	11.7
93.07057	10.5
95.04966	6.8
95.08607	13.9
97.06535	2.5
97.10175	3.1
105.07037	10.9
107.04946	3.6
107.08604	8.7
109.06543	6.9
109.10171	14.4
111.08086	1.7
117.07057	2.4
119.08591	8.5
121.06454	1.7
121.10134	3.7
123.08105	1.5
123.11700	3.9
125.09615	2.2
129.07027	1.6
131.08565	3.4
133.10135	16.3
135.08022	2.1
135.11705	2.0
137.09660	1.3
143.08557	1.3
145.10152	3.7
147.11687	4.0
149.09583	3.6
149.13228	2.9
151.11185	10.6
157.10091	1.2
159.11652	1.9
161.13231	1.3
163.09874	1.0
163.11171	4.2
169.12245	2.8
171.11732	1.2
173.13307	1.7
174.98537	1.7
175.11168	2.0
176.99245	3.8
177.12657	1.0
179.10680	1.7
187.11124	1.0
195.00317	100.0
196.00552	1.0
211.28113	1.0
213.00143	2.5
215.12717	1.5
223.13278	4.2
239.17896	1.5
247.20590	1.1
249.14908	2.0
257.19028	3.3
257.24756	1.3
275.20071	32.7
276.20398	1.0
293.21066	13.0
313.27390	24.3
314.27756	1.2
322.29462	1.0
423.81113	1.1
471.30557	2.2
507.26822	15.8
507.39746	4.2
508.27692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1503
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
61.94889	0.2
67.05495	0.3
69.03438	0.2
69.07046	0.2
69.26385	2.3
70.06583	0.3
73.02898	0.2
81.07056	0.3
85.02908	0.5
86.09657	0.2
91.03932	0.2
91.05464	0.4
94.06515	0.2
95.04956	0.2
95.08625	0.2
97.02920	0.2
98.21470	0.3
105.07002	0.2
119.08573	0.5
120.08972	0.3
121.02882	0.2
133.10117	0.6
134.10423	0.3
137.05997	0.4
139.74706	0.2
151.03914	0.3
175.14799	1.1
176.15181	0.6
177.15546	0.5
185.05946	0.3
193.15924	0.2
196.05223	0.8
196.26630	0.2
197.05862	0.2
205.04745	0.4
207.04965	0.2
213.05460	1.3
217.04971	0.5
224.04669	0.5
225.05450	0.7
231.06532	0.3
241.04956	4.1
244.03690	0.2
252.04173	0.5
253.04974	1.3
256.07379	0.4
259.06052	1.0
269.04453	1.5
272.03223	0.3
283.06097	0.3
284.06802	23.3
285.04031	0.3
285.07220	0.4
287.05521	3.7
296.03107	0.3
297.03976	0.5
299.05481	1.4
300.02628	0.5
300.06287	0.5
301.07080	1.8
311.02310	0.3
311.05582	3.0
312.06293	6.9
313.07047	2.1
315.01984	0.1
315.04999	6.3
316.05798	1.4
329.06552	5.6
330.07355	10.8
345.09692	100.0
346.10034	1.1
507.14627	3.1
507.31497	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	507.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
54.12778	0.6
55.01870	1.3
55.93497	0.6
57.03433	2.9
61.02926	5.7
68.47852	0.8
69.03431	11.3
71.04998	1.2
71.24216	1.5
73.02898	2.6
81.03424	4.7
83.01359	0.8
84.68761	0.6
85.02909	70.5
87.04477	1.3
91.03963	5.4
92.04988	0.8
95.24592	0.7
97.02898	16.5
98.97571	1.4
99.04442	3.5
99.11597	0.7
101.02377	0.8
102.77444	0.7
107.04996	1.8
109.02898	6.1
111.04441	4.3
116.98611	1.1
118.05566	0.7
120.32426	0.7
123.04436	0.7
127.03929	20.9
130.02910	1.0
132.04494	1.3
135.04417	0.6
139.03928	6.5
145.04959	38.8
148.03940	100.0
149.04260	2.0
163.03874	2.3
163.06032	16.0
219.01811	1.0
237.02806	1.1
325.11334	2.9
418.09985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89331	0.4
55.05498	1.1
56.05025	0.7
56.47531	0.4
58.03206	0.4
58.06603	0.7
60.08166	6.4
61.02896	0.5
63.48399	0.4
67.05517	2.5
69.07078	0.6
70.06590	0.4
70.15755	0.6
70.16160	1.6
71.07372	3.1
73.35919	0.3
79.05486	0.8
81.07071	1.8
83.08636	0.5
86.09713	31.1
91.05482	0.5
93.07037	0.9
95.08628	1.2
98.98473	2.6
103.16064	0.3
104.10757	3.3
105.07040	0.6
107.08599	0.4
108.70125	0.3
109.10178	0.8
125.00015	20.0
133.03534	0.4
167.29579	0.3
184.07358	100.0
185.07826	0.4
350.17685	0.8
488.31320	1.0
506.32358	2.5
523.72461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1501
Annotation	Junipegenin B 7-O-glucoside
Peak:m/z	Relative Intensity
62.52382	0.1
66.78664	0.2
69.43225	0.2
70.12806	0.8
77.22570	0.1
78.71388	0.2
81.03421	0.2
85.02890	0.5
95.01300	0.2
109.02871	0.2
117.09544	0.2
120.07098	0.2
124.05204	0.6
137.05890	0.2
139.86981	0.2
151.03911	1.5
155.52768	0.2
167.03435	1.2
199.03792	0.3
203.07109	0.4
231.06531	1.7
241.04916	0.2
242.05779	0.4
243.06471	0.4
244.07347	0.3
257.07956	0.2
259.06021	4.6
270.80591	0.2
271.06055	0.8
283.06128	0.3
284.06738	0.3
285.07507	0.3
286.04874	0.4
287.05521	7.6
299.05539	0.5
300.02927	0.2
300.06351	0.5
301.07101	3.3
302.07837	1.5
311.05542	0.3
313.07040	0.6
314.04343	0.8
315.04984	9.7
316.05780	0.3
329.06564	12.4
330.07343	49.8
331.07742	0.6
345.09692	100.0
346.10074	1.1
414.54111	0.2
496.03476	0.2
507.14996	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	507.1504
Annotation	Mikanin 3-galactoside
Peak:m/z	Relative Intensity
55.05507	0.2
57.07045	0.3
58.01592	0.1
61.96426	0.1
62.63527	0.2
67.05483	0.5
69.03394	0.4
69.07063	0.3
69.39927	1.2
69.40336	0.4
79.05485	0.2
81.03411	0.3
81.07053	0.9
83.04936	0.2
83.08595	0.2
85.02872	0.3
89.03887	0.6
91.05447	0.5
93.07019	0.7
95.08608	0.8
97.10130	0.2
98.21507	0.3
105.07010	0.4
107.04914	0.2
107.08564	0.4
109.02853	0.4
109.10140	0.6
114.69485	0.2
115.05385	0.2
117.03369	1.5
119.04900	0.4
121.02835	0.6
121.06503	0.2
121.10103	0.3
127.03853	0.2
131.08583	0.2
133.02885	0.3
135.04463	0.2
135.08086	0.2
135.11664	0.4
137.02350	0.3
137.05960	0.3
145.02856	4.0
147.04362	0.9
147.11670	0.3
148.04758	0.3
149.05966	0.6
149.13237	0.2
153.01814	1.3
156.07664	0.2
165.01833	0.7
165.05379	0.3
167.07013	0.2
169.04915	0.5
177.05486	8.0
181.04903	0.2
183.02890	0.4
186.05565	0.2
203.03441	0.2
213.05481	0.5
229.04990	0.2
231.06488	0.5
241.04927	0.7
243.06561	0.2
258.05276	0.4
259.06097	1.9
269.01846	0.3
269.04456	2.2
271.06085	1.0
273.25702	0.2
283.02380	0.7
283.05936	0.3
284.03174	0.5
284.06830	0.5
285.03961	1.2
286.04666	0.4
287.05515	18.7
288.05936	0.2
297.03979	0.5
299.05490	1.2
300.02649	0.2
301.07080	1.0
302.07916	0.4
313.07257	0.3
314.04291	0.6
315.04993	12.4
316.05814	0.5
321.09811	0.3
329.06567	4.3
330.07349	38.6
331.07697	0.6
345.09702	100.0
346.10059	1.4
507.15109	1.3
507.32825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.05508	15.5
57.06821	3.1
57.07077	41.4
67.05511	28.1
69.07079	13.3
69.29499	14.4
69.29927	13.9
71.08635	29.4
76.50921	2.7
79.05504	15.6
81.03422	83.2
81.07063	32.2
83.05020	3.2
83.08616	22.4
85.10186	15.9
91.05477	19.7
93.07043	8.6
94.20557	2.4
95.04966	22.0
95.08617	28.2
97.10171	10.0
98.21554	4.9
105.07034	15.4
107.04958	4.0
107.08611	4.1
109.10184	13.4
111.08087	6.6
119.08621	9.1
121.06569	3.1
121.10143	3.4
123.11707	5.8
129.06999	12.1
131.08578	7.2
133.06500	4.7
133.10153	3.7
147.11720	5.5
149.09657	4.5
157.10149	11.3
175.11234	8.0
193.12256	26.3
239.23776	6.0
249.14909	6.6
505.27753	19.5
505.38937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01856	5.2
55.05285	1.8
55.05510	14.5
57.03453	6.6
61.02921	1.7
66.44866	1.3
67.05508	21.0
69.03431	5.3
69.07072	20.2
70.06585	2.8
70.91383	3.8
71.05001	2.0
72.08153	1.7
79.05492	16.8
81.03409	5.1
81.07059	20.3
83.04980	5.2
83.08616	6.1
83.42925	1.4
85.02905	1.6
91.05490	16.0
93.07049	14.4
95.04967	6.0
95.08627	7.7
97.02895	5.5
97.06539	3.2
97.10165	9.9
98.98454	1.8
105.07034	10.6
107.04955	3.9
107.08599	12.6
109.06521	1.6
109.10163	13.0
114.10262	2.1
117.07014	3.7
119.08582	6.1
121.06540	2.1
121.10136	2.7
123.08114	2.0
123.11756	2.6
125.09672	7.1
131.08582	4.8
133.06468	1.9
133.10141	9.9
135.08102	2.6
137.06033	1.3
145.10124	2.9
147.08044	1.5
147.11627	2.3
149.09615	1.7
149.13254	1.4
151.11183	6.2
157.10149	2.5
161.09724	1.8
163.11160	2.6
169.12309	2.1
189.11183	2.7
215.12750	1.3
216.06122	1.4
223.13329	12.1
227.12796	2.0
245.19072	1.5
253.14388	4.1
273.18491	5.4
291.19568	34.1
347.22217	7.6
365.23242	100.0
377.28006	2.6
447.23755	1.6
488.24167	2.4
506.33041	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	505.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11492	0.6
52.58081	0.7
53.03947	3.6
55.01869	1.6
55.05515	11.9
57.03437	1.3
57.07080	34.4
58.74984	0.6
65.03951	1.6
67.05510	23.5
69.03433	1.6
69.07070	8.5
69.95926	2.9
71.05003	1.2
71.08636	25.5
77.73743	0.6
79.05495	11.4
81.03423	67.8
81.07060	22.5
83.04980	2.8
83.08626	24.7
85.06548	1.0
85.10187	12.6
91.05488	16.2
93.07047	8.9
95.04974	19.7
95.08611	22.8
95.85980	0.5
97.02900	2.1
97.06517	0.9
97.10176	6.9
98.20758	0.7
98.98470	0.8
99.08102	0.9
99.11790	0.8
105.07035	13.1
107.04956	5.2
107.08617	3.4
109.06529	2.2
109.10164	10.3
111.04469	1.2
111.08103	5.9
111.11726	1.2
115.05474	1.4
117.07052	2.1
119.04941	0.7
119.08593	9.0
121.06525	2.0
121.10149	4.6
123.04446	1.3
123.08087	1.8
123.11708	4.1
125.09644	0.9
129.07014	7.7
131.08580	6.4
133.06512	2.4
133.10135	3.6
135.11693	1.1
137.09624	1.4
137.13245	1.7
141.06949	0.8
142.07808	1.8
145.10112	2.1
147.08080	2.8
147.11691	4.3
149.09592	3.9
149.13271	1.0
151.14832	1.2
155.08591	0.7
157.10139	6.6
159.11732	0.9
163.11247	1.2
165.12769	1.2
175.11188	7.2
193.12256	40.0
195.11641	0.6
221.22736	0.9
223.13313	1.4
231.13548	0.6
239.23682	8.2
249.14897	6.5
275.20087	4.6
293.21243	1.4
333.28122	0.8
335.25183	0.8
391.74539	0.7
487.21640	0.7
505.38943	100.0
506.39359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01862	1.2
55.05515	9.3
57.03439	0.9
57.07079	30.4
65.03943	1.0
67.05508	20.1
69.03427	1.4
69.07070	8.6
70.16412	0.5
70.19286	2.4
71.04998	1.3
71.08229	0.7
71.08634	24.3
79.05496	10.3
81.03422	68.0
81.07063	21.5
83.04996	2.6
83.08624	21.3
85.06544	1.0
85.10185	11.3
91.05488	14.7
91.06075	0.7
93.07050	7.2
95.04358	1.0
95.04973	18.6
95.08613	21.5
97.02889	1.9
97.06535	1.0
97.10180	6.1
98.98476	0.7
99.08092	0.8
99.11728	0.7
105.07036	9.3
107.04954	4.3
107.08589	3.5
109.06532	2.0
109.10157	11.0
111.04475	1.0
111.08095	5.2
111.11725	0.9
115.05445	0.8
117.07043	1.4
119.04955	0.9
119.08586	8.7
121.06537	2.0
121.10154	4.0
123.08084	1.3
123.11681	4.5
125.09644	0.8
125.13231	0.7
129.07011	7.8
131.08574	6.3
133.06519	2.3
133.10133	3.4
135.11708	0.7
137.09680	1.3
137.13264	2.3
139.05354	0.5
142.07794	2.2
145.10139	1.2
147.08089	2.0
147.11694	4.3
149.09625	4.0
151.14822	0.7
157.10153	6.5
163.11160	0.8
165.12775	1.3
165.16458	0.9
175.11218	7.3
193.12254	39.0
205.12366	0.6
213.12794	0.6
221.22751	0.9
223.13452	0.8
231.13878	0.9
239.23741	7.5
247.26187	0.6
249.14839	6.1
275.20090	2.0
289.18405	0.7
293.21179	1.0
431.34915	0.6
467.65771	0.6
505.38931	100.0
506.39218	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2647
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
53.03948	1.0
57.03454	4.6
59.05011	1.1
61.02918	1.4
65.06870	0.9
65.10116	0.9
67.05495	2.1
69.03432	10.6
69.07087	2.4
69.37441	4.1
69.37862	5.3
69.94798	0.8
73.02914	4.4
79.05501	2.4
81.07059	10.2
85.02905	9.7
87.04474	5.6
91.05502	2.4
93.07059	3.7
95.08612	12.6
95.29143	1.0
97.02892	8.8
98.20788	2.2
99.08100	2.6
99.42444	0.9
105.07024	10.0
107.08599	7.6
109.10188	1.9
110.04025	0.9
113.09643	1.7
115.03940	9.6
119.08588	38.5
121.10151	1.5
123.11648	1.8
127.03926	1.5
133.04979	6.8
133.10133	45.6
135.11691	9.3
137.09706	1.0
145.04977	1.7
147.11728	3.2
155.33994	0.9
175.14836	100.0
176.15169	1.6
193.15877	12.7
211.16966	10.6
467.42917	1.2
489.97739	1.1
524.27649	1.1
525.45386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.05506	12.0
55.19651	1.5
56.96572	2.4
57.03424	2.9
57.07060	3.9
67.05509	21.9
69.03440	7.1
69.06721	2.2
69.07070	27.0
70.04070	3.7
70.06598	1.7
70.10067	2.6
70.10460	3.7
71.04980	4.2
75.87122	1.4
79.05502	15.1
81.03407	5.5
81.07057	75.1
82.07353	2.1
83.04965	2.4
83.08617	9.7
83.93656	1.2
85.02913	10.4
85.06517	3.1
87.04431	1.5
88.45972	1.4
89.03925	2.8
91.05481	11.5
93.07042	30.1
95.04939	5.1
95.08610	53.5
97.02885	5.4
97.06574	6.9
97.10165	5.7
99.04465	1.6
99.08068	4.3
103.05435	1.6
105.07021	15.1
107.04928	1.4
107.08586	28.8
109.02895	1.9
109.06485	1.9
109.09457	2.8
109.10158	38.4
111.04464	1.7
111.08075	3.2
111.11710	5.8
115.03911	1.9
117.03397	10.6
117.07094	2.0
119.04896	2.7
119.08589	19.4
121.06519	2.1
121.10143	21.1
123.08044	2.7
123.11713	21.8
125.09609	2.6
127.03941	3.0
127.11156	1.8
131.04895	1.8
131.08551	4.4
133.10127	13.6
135.04387	2.0
135.11702	15.8
137.05988	6.4
137.09665	3.0
137.13242	8.1
139.11159	3.4
142.59369	1.4
145.02858	38.7
145.04945	2.1
145.10115	5.8
147.04391	4.9
147.11658	7.0
149.05984	5.7
149.09625	1.9
149.13261	17.6
151.11179	1.8
151.14789	3.2
153.12733	2.6
159.11685	6.3
161.06018	2.7
161.13306	6.8
163.04060	1.4
163.07571	2.7
163.11041	1.7
163.14844	5.7
165.12766	3.4
167.07007	2.2
173.13246	3.4
174.06723	1.8
175.14845	20.1
177.05475	100.0
177.16391	5.1
178.05850	3.8
179.14320	2.3
182.14691	1.6
186.05507	1.6
187.14774	1.6
189.16428	3.4
191.17958	1.7
193.15878	3.9
206.33072	1.7
211.16885	2.4
215.17929	3.0
233.18954	2.0
243.21086	1.6
245.22609	2.0
247.54276	1.4
271.24265	5.8
277.25272	5.2
279.08627	2.5
279.26410	1.6
281.15253	6.7
281.65323	1.8
289.25250	13.6
295.26324	5.6
307.26324	24.7
321.09906	2.4
325.27359	3.4
343.07928	1.8
364.72644	1.4
482.95197	1.8
484.45761	1.8
505.19199	2.9
505.25659	3.2
505.32379	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01869	1.0
55.05506	1.6
57.03438	3.7
57.07054	0.4
59.04974	0.6
61.02929	1.8
62.33244	0.4
67.05507	1.6
69.03436	9.6
69.07085	2.5
70.06612	0.5
71.01366	0.6
71.04994	0.8
71.23405	0.8
73.02550	0.6
73.02923	6.8
79.05503	1.9
81.03413	1.5
81.07066	9.3
81.25185	0.3
83.08614	0.9
85.02914	12.0
87.04475	3.4
91.03957	0.8
91.05482	4.3
93.07047	5.1
95.04951	0.9
95.08612	11.8
97.02901	9.7
97.06530	0.3
98.97602	0.4
99.04471	0.6
99.08113	2.6
103.03946	0.4
104.06273	0.4
105.07039	10.4
107.08606	6.8
109.02871	1.4
109.06528	0.6
109.10164	2.1
113.09632	1.2
115.03930	6.4
115.05482	0.3
117.06991	0.7
119.08588	40.1
121.02889	0.4
121.10147	1.8
123.08076	0.8
123.11711	1.7
127.03901	2.3
130.06537	0.4
131.08569	1.1
132.04431	0.8
133.04977	6.6
133.10136	43.4
135.10675	0.6
135.11703	9.8
137.02348	0.6
137.06047	0.5
137.09578	0.8
145.04962	3.0
145.10182	0.4
146.10873	0.6
147.11726	3.3
159.11719	0.3
163.05890	0.7
169.05046	0.5
173.13246	0.4
175.14836	100.0
176.07062	0.4
176.15205	0.6
193.15894	11.0
211.16928	10.9
222.19048	0.3
223.06026	0.5
238.16003	0.3
238.66216	0.4
241.07071	0.7
246.14978	0.4
255.81476	0.3
259.08163	0.7
307.19144	0.4
487.89233	0.4
505.13016	3.7
505.21329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61854	0.2
53.03946	0.2
55.01873	0.3
55.05509	1.1
57.03427	0.4
57.07078	0.3
63.02367	0.4
67.05503	2.4
69.03419	1.1
69.07068	3.0
70.06583	0.4
70.25538	0.5
70.25949	0.9
71.05004	0.3
73.02927	0.2
79.05489	1.4
81.03423	1.3
81.07059	6.8
83.04945	0.3
83.08614	1.1
85.02890	1.0
85.06540	0.6
89.03919	4.4
91.05479	1.0
93.07060	2.7
95.04951	0.9
95.08609	5.6
96.96823	0.2
97.02879	0.6
97.06564	0.4
97.10176	0.4
98.20827	0.3
99.08083	0.3
103.05472	0.4
105.07032	1.6
107.08592	2.5
109.02863	0.6
109.06553	0.4
109.10159	3.6
111.08091	0.9
117.03378	15.2
119.04962	0.3
119.08562	1.7
121.06527	0.3
121.10134	2.0
123.08138	0.3
123.11716	3.2
124.05146	0.3
125.09666	0.3
127.03905	0.3
128.32353	0.2
130.06419	0.3
131.08556	0.3
132.04459	1.1
133.04993	0.4
133.10115	1.8
134.03645	1.0
135.04414	1.2
135.11685	1.9
137.05981	1.0
137.13246	0.7
139.11253	0.3
145.02847	41.7
145.10075	0.6
147.04399	0.4
147.11687	0.9
149.05978	5.6
149.13278	1.5
151.23512	0.2
158.06006	0.4
159.11702	0.6
161.06050	0.6
161.13228	0.6
163.03873	0.6
163.07596	0.4
163.14836	0.4
175.14839	2.6
177.05472	100.0
177.16373	0.3
178.05798	0.6
181.04962	0.4
186.05505	2.0
189.05493	0.3
189.16402	0.3
193.08771	0.2
193.15886	0.3
195.06519	1.1
207.06615	0.3
211.16946	0.5
216.56703	0.3
221.08044	0.3
271.24173	1.0
277.25403	0.3
279.08728	1.3
289.25262	1.8
295.26248	0.3
307.26303	2.8
321.09708	1.0
325.27350	0.3
338.52164	0.3
339.10693	1.5
455.62979	0.3
456.74286	0.3
472.76096	0.3
488.21906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46414	2.7
55.01873	16.2
55.05519	15.3
57.07075	3.4
64.34795	3.3
67.05515	33.9
68.99789	4.2
69.07072	14.9
71.08633	4.2
71.14668	4.3
71.15012	6.2
78.55141	3.1
79.05499	13.3
79.38217	3.0
81.03429	6.8
81.07063	29.0
83.04996	5.4
83.08630	16.9
85.06544	3.5
85.10188	5.3
91.05481	13.8
93.07038	13.6
95.04987	8.5
95.08627	19.1
97.02897	4.2
97.06534	6.9
99.08118	3.5
105.07034	11.6
107.04958	4.3
107.08624	19.3
109.06513	6.3
109.10163	12.1
111.00809	3.4
111.08081	27.1
113.09646	7.2
117.06987	3.7
119.08544	15.0
121.10165	13.0
123.11757	3.7
129.01851	9.9
131.08583	4.2
133.10139	19.5
135.11694	3.4
139.11194	4.7
145.10139	8.0
147.11703	13.9
149.09615	4.5
149.13268	7.4
151.11253	5.9
157.10135	4.1
159.77184	2.9
161.13239	8.6
163.11252	4.3
165.12775	37.1
175.11269	5.1
179.14366	7.4
191.14345	3.6
193.12331	5.6
259.20563	8.1
275.20044	5.3
276.20554	5.2
277.21634	100.0
285.10028	4.7
295.22699	83.8
405.22681	31.3
423.23871	7.6
451.23196	34.1
475.58704	3.9
504.34973	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	504.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01876	7.9
55.05511	3.0
56.96577	2.5
57.03438	3.9
57.07082	4.7
59.04998	2.3
64.40839	2.0
65.03944	2.0
67.05510	7.1
69.03437	14.8
69.07078	10.5
70.02962	5.6
70.06589	5.0
71.04998	4.3
71.60204	4.0
72.04515	25.2
72.08139	3.7
73.02924	16.3
73.03281	2.2
81.03423	20.4
83.04978	7.4
84.04526	2.0
85.02905	12.3
85.06547	8.2
86.06106	3.1
86.09721	4.9
87.08099	2.3
90.05559	37.7
90.52692	1.7
91.05481	5.4
95.05000	12.7
96.08156	3.2
97.02903	14.9
98.02425	13.4
98.97623	3.1
99.04478	7.3
100.03995	8.0
103.03983	2.9
103.07605	5.5
107.04955	2.0
107.08559	1.8
109.02884	29.9
109.10181	2.1
113.06010	7.3
116.03461	23.7
123.04473	1.8
124.07604	24.3
127.03931	17.7
128.81775	2.0
130.08658	2.4
132.06567	12.6
133.28868	1.9
137.05998	2.5
138.05542	3.6
139.03987	1.8
142.08675	16.6
145.04984	9.1
147.04413	2.5
148.09575	2.1
157.04982	3.2
157.23071	2.0
160.09705	6.0
166.08702	3.8
167.13144	1.9
169.04936	1.9
172.09715	4.1
174.11327	5.3
184.09706	38.1
191.08366	2.9
197.98021	1.8
198.07657	3.4
199.06007	4.7
202.10770	100.0
203.11569	2.7
211.09689	10.8
216.08640	6.6
217.07155	2.2
219.01872	2.1
219.10274	2.4
220.11862	21.7
230.10263	13.1
231.06514	4.0
234.09746	8.6
244.11873	5.7
246.28679	2.1
262.12802	23.2
300.06070	1.9
310.12918	9.6
324.11124	2.6
328.13922	63.4
346.14920	11.0
364.15948	20.2
484.22409	2.5
496.30685	2.2
504.20209	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	503.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92438	2.4
53.03938	6.2
55.01860	6.9
55.05513	28.4
57.03428	2.6
57.07078	3.5
65.03937	4.6
67.05505	50.9
67.32174	2.0
69.07067	22.7
70.55094	1.8
71.04999	4.5
71.08650	3.6
71.59067	3.6
76.42773	1.9
79.05498	43.2
81.03422	22.6
81.07060	100.0
83.04977	5.7
83.08630	21.5
85.06546	2.9
89.00574	2.0
89.06024	6.8
91.05482	34.2
93.07050	34.1
95.04983	17.6
95.08604	19.8
97.06537	7.7
97.10183	12.2
98.98484	4.2
99.08134	2.6
105.07032	25.2
107.04956	14.3
107.08602	18.9
109.06528	35.8
109.10161	10.8
111.08106	4.7
115.05503	2.0
117.07014	15.4
119.04874	2.9
119.08582	24.1
121.06509	8.3
121.10127	16.4
123.08087	10.2
123.11676	2.7
125.09667	5.6
128.06303	3.1
129.07028	10.2
131.08569	19.9
133.06496	7.7
133.10138	18.5
135.08078	9.4
135.11719	9.5
143.08553	6.4
145.06529	3.1
145.10130	20.1
147.04391	2.6
147.08058	7.3
147.11687	6.9
149.09598	6.5
149.13300	6.5
151.11130	2.2
155.08548	5.6
157.10155	11.3
159.08060	3.9
159.11665	9.6
161.09633	7.6
161.13268	2.0
163.11179	5.1
165.09119	2.2
169.10181	3.0
171.11690	6.1
173.09619	6.4
173.13278	2.7
175.11189	5.0
177.12787	5.1
181.12376	1.8
185.09599	2.4
185.13214	2.7
187.11186	2.1
189.11238	2.8
191.10674	6.5
193.12280	8.1
195.11806	3.5
195.13751	3.7
197.13292	4.3
199.11266	2.1
222.65990	1.9
227.12833	4.1
245.19038	4.1
249.18562	2.8
255.17480	2.9
273.18518	28.4
275.20187	7.4
291.19571	48.4
309.20642	3.4
325.21899	3.4
331.26321	5.0
341.24704	3.2
343.22665	6.8
355.22604	2.3
359.25784	2.8
361.23810	4.7
379.24670	5.1
449.30576	5.8
467.31711	16.4
485.32553	22.4
503.27539	4.0
503.36920	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	503.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62194	1.7
53.03945	6.7
55.01867	5.8
55.05510	27.0
57.03440	2.4
57.07066	4.2
58.70677	1.6
59.04988	2.8
59.55929	1.8
62.76842	1.6
65.03933	3.2
67.05165	3.5
67.05507	44.4
68.59281	1.8
69.03448	2.0
69.07068	24.5
69.83765	8.2
71.04989	5.2
71.08624	2.6
79.05056	3.1
79.05496	41.5
81.03415	22.2
81.07056	100.0
83.04975	6.2
83.08627	20.2
85.06546	5.2
89.06036	4.5
91.05482	27.7
93.07040	34.1
95.04974	14.3
95.08616	23.4
97.06520	7.2
97.10179	9.4
98.98499	2.4
103.05475	2.3
105.07030	30.7
107.04940	16.6
107.05505	1.7
107.08588	20.3
109.06519	41.6
109.07253	2.8
109.10169	10.4
111.08089	4.7
113.09631	2.1
115.05421	2.8
117.07021	15.7
119.04971	2.1
119.08585	21.1
121.06532	5.2
121.10130	12.8
123.08098	9.8
125.09620	4.7
129.06996	9.6
130.07759	2.1
131.08562	21.7
133.06480	2.8
133.08569	3.6
133.10141	14.8
135.08055	8.6
135.11682	8.9
137.09639	2.5
141.06958	2.4
143.08559	6.8
145.06468	5.6
145.10118	19.7
147.04433	4.3
147.08076	5.1
147.11670	7.3
149.09627	11.7
149.13240	5.3
153.09085	2.0
155.08545	6.4
157.06407	2.3
157.10130	8.3
159.08202	2.9
159.11722	11.7
161.09636	8.4
161.13237	3.1
163.11171	9.7
165.09109	3.4
169.10124	2.3
171.11708	6.0
173.09662	7.9
175.11194	5.4
177.12711	6.0
179.14343	3.9
181.10037	2.1
183.11705	4.2
185.09610	3.1
185.13243	3.9
187.11201	4.6
189.12762	2.9
191.10670	6.3
193.12289	8.7
195.13780	5.0
197.13242	3.0
199.14748	2.1
205.12155	2.5
209.11653	3.5
213.12823	2.4
224.73730	1.8
227.12709	2.8
235.16992	2.2
245.19095	4.0
249.14691	3.1
249.18628	2.3
255.17532	2.9
273.18524	28.1
275.20157	8.9
291.19559	48.0
291.22818	3.5
309.20734	4.8
313.21841	2.2
325.21875	2.5
331.26337	4.9
339.22876	2.4
343.22336	4.3
359.21381	2.2
359.25720	2.5
360.20944	2.9
361.23666	4.3
377.26801	3.0
379.24725	4.4
405.30060	4.2
431.29517	2.6
439.31897	2.5
449.30579	6.7
457.33105	2.1
467.31525	15.4
485.32645	23.5
503.27069	3.0
503.33847	12.9
503.37137	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	503.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29358	1.4
52.65983	1.5
55.01872	3.7
55.05511	9.0
55.11715	1.5
57.03437	4.3
57.07074	2.8
59.04995	1.3
60.42109	1.4
64.35873	1.7
67.05509	25.2
69.03437	3.1
69.07074	10.8
71.04986	2.9
71.08636	6.8
71.58957	1.8
75.04482	3.1
79.05494	14.5
81.07061	32.4
83.04971	2.3
83.08611	7.6
85.06547	2.9
91.05476	14.3
93.07053	15.5
95.04967	3.7
95.08607	20.8
97.06546	3.1
97.10176	2.4
98.98471	73.2
99.08096	2.4
105.07041	13.2
107.04920	1.8
107.08611	17.6
109.06522	20.0
109.10175	15.0
110.95193	1.7
111.08094	2.7
116.99552	3.1
117.07028	3.7
119.08583	14.2
121.10136	8.3
123.08080	34.7
123.11700	3.7
129.07004	2.9
131.08566	6.3
133.10107	13.2
135.08054	20.2
135.11739	4.6
137.09627	4.1
143.08569	3.0
145.10132	8.4
147.11707	6.8
149.09650	4.9
149.13300	3.1
157.10104	2.8
159.11674	4.5
161.13295	3.2
165.12816	2.7
167.14287	2.2
171.11736	1.7
173.02086	11.2
173.13309	2.4
175.14883	5.6
177.12788	6.0
179.14320	47.6
191.14375	3.9
193.12268	1.9
193.15863	3.4
197.88393	1.6
198.83992	1.7
205.15863	7.5
231.01891	1.7
233.19048	2.4
247.20554	2.5
257.18964	2.1
263.20032	3.7
275.20081	8.5
289.21704	5.0
289.25177	1.4
293.21133	4.1
303.26871	6.8
313.25241	2.0
319.22903	1.8
331.26343	100.0
332.26657	2.9
337.36496	1.5
346.66602	3.5
349.27435	15.6
369.27866	2.7
387.29016	7.1
405.29984	67.4
423.30963	3.9
485.26544	4.5
485.32526	3.1
503.27625	45.4
503.33600	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	503.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.01880	2.1
57.03440	3.0
58.37712	0.3
61.02927	3.4
62.45057	0.4
63.72936	0.4
65.42059	0.3
67.77334	0.3
69.03432	18.8
69.54108	1.4
69.54531	1.7
70.06568	1.2
71.04999	5.7
72.08148	0.4
73.02930	1.9
81.03421	21.6
83.01344	0.4
83.04974	0.4
84.08131	0.5
85.02908	20.3
86.09673	0.5
87.04443	1.4
89.05984	0.4
91.03922	0.7
91.05443	0.6
97.02892	7.4
99.04451	7.5
109.02891	2.4
116.07063	0.7
116.98611	0.4
117.05479	1.3
119.04942	1.5
123.04460	0.4
127.03925	4.6
129.01874	1.9
129.31912	0.4
132.04430	0.6
133.07628	3.0
134.05997	0.9
134.79865	0.4
135.09119	0.5
135.11122	0.4
137.05946	1.2
139.03896	1.0
145.04977	3.1
147.02861	0.4
147.03267	0.4
147.04405	3.0
157.01379	0.6
160.07610	0.6
161.05923	0.7
161.07095	6.1
163.03914	0.7
163.08693	4.8
167.06995	0.5
175.02493	0.5
178.07454	0.6
179.08221	1.0
189.06592	4.9
191.08182	6.2
206.06877	0.6
207.07654	99.4
208.08020	1.0
219.07680	1.2
221.09329	0.5
229.09627	0.8
231.07771	0.7
231.11317	0.5
237.02744	0.4
247.10670	0.7
249.08807	1.2
259.10764	0.4
287.10272	1.1
299.06122	0.7
301.05508	0.5
305.08197	0.6
305.11102	2.0
311.13721	0.6
319.06772	0.5
323.12384	31.3
341.13452	100.0
342.13742	1.0
409.89633	0.5
503.15494	0.7
507.83200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.8
55.05507	11.3
57.03417	3.5
57.07055	3.3
67.05179	1.6
67.05502	21.8
69.07063	10.9
71.00417	1.5
71.00750	1.6
71.04964	1.5
71.08627	5.2
75.04470	1.3
79.05493	10.9
81.07054	24.0
83.04969	1.5
83.08618	5.6
85.06512	3.1
91.05470	8.6
93.07040	14.6
95.04944	2.5
95.08043	1.8
95.08601	17.4
97.06516	3.0
97.10185	1.3
98.98463	69.5
99.08070	3.6
105.07030	11.0
107.08596	13.8
109.06507	17.2
109.10147	9.4
111.08091	1.1
112.19878	0.9
116.99496	2.8
117.06984	1.7
119.08572	13.1
121.06499	2.2
121.10138	9.2
122.07238	1.3
122.60163	1.0
123.07180	2.0
123.08059	33.0
123.11703	5.1
125.09655	1.0
126.45196	1.0
131.08548	5.1
131.44785	1.0
133.10141	10.5
135.08038	19.6
135.11665	3.7
137.09595	3.2
140.01048	1.7
143.08627	1.7
145.10107	7.1
147.11679	6.3
149.05968	1.1
149.09608	5.2
149.13242	2.6
155.01073	1.4
159.11682	6.4
161.09569	2.9
161.13213	2.4
163.07465	1.1
163.11165	1.6
165.12724	1.9
167.14287	2.5
171.11760	1.1
173.02092	10.3
173.13234	2.2
175.14859	6.1
177.12709	6.3
178.12381	1.0
179.12712	2.2
179.14299	45.7
185.13286	1.1
191.14296	3.0
193.12270	2.0
193.15779	1.7
199.53491	1.1
205.15860	6.2
233.18871	1.2
247.20595	2.2
263.20044	3.0
271.20557	1.2
275.20068	9.6
289.21658	5.8
289.24637	1.1
293.21039	3.1
303.26691	8.6
306.31726	1.1
313.25259	2.2
327.09006	1.0
331.26300	100.0
349.23727	1.5
349.27390	13.1
357.27448	1.2
361.27185	1.8
369.27896	1.1
375.28882	2.4
377.23456	1.2
387.28940	6.0
405.29977	65.6
423.30850	2.8
485.26422	4.4
503.27493	41.0
503.33743	6.1
507.83542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01862	2.9
55.05515	17.4
56.96574	2.0
57.03416	1.8
62.54411	1.5
67.05505	21.9
69.03415	4.7
69.07072	7.0
70.08356	6.3
71.36763	1.5
73.02900	1.6
79.05489	19.9
81.03406	6.8
81.07060	22.0
83.04978	6.7
83.08617	18.6
85.02892	2.8
91.05480	16.5
93.07040	18.2
95.04971	26.6
95.08601	14.6
97.02889	2.2
97.06520	2.9
97.10150	5.4
99.08016	1.5
105.07022	23.6
107.04957	6.3
107.08598	14.3
109.06526	3.8
109.10165	6.6
109.29323	1.5
111.04438	5.3
111.08061	3.0
117.06998	8.0
119.08585	22.4
121.06509	3.4
121.09355	1.5
121.10146	10.8
123.08094	2.8
125.09617	5.0
129.05504	3.7
129.07018	2.3
130.07777	1.5
131.08568	10.6
133.10130	16.8
135.08052	2.3
135.11705	3.3
137.09630	3.1
145.06480	2.2
145.10100	16.2
147.08121	1.8
147.11661	8.0
149.09633	18.0
151.11215	1.8
155.08549	3.8
157.10078	2.7
159.11725	6.9
161.09674	2.0
161.13210	2.9
163.11162	19.2
165.12730	3.1
169.10088	2.7
171.11707	3.1
173.09624	2.7
173.13217	3.1
181.58687	1.4
183.11818	1.6
187.11270	1.6
189.11209	4.7
191.14351	1.8
193.07082	1.7
197.13286	2.5
201.12827	1.9
205.12206	2.4
223.13277	22.3
229.19633	2.2
239.17923	8.1
247.20636	2.0
257.19006	11.5
275.20074	100.0
276.20389	2.8
293.21106	49.4
470.50281	1.8
474.06351	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01871	3.0
55.05519	28.1
57.03442	18.3
57.07064	8.5
60.38313	2.7
61.02929	47.4
67.05513	35.2
69.03437	23.0
69.06783	3.1
69.07072	38.0
69.92866	9.9
69.93266	4.3
71.01363	3.4
71.04991	3.6
71.08620	6.5
72.18368	3.1
73.02911	22.4
75.04465	2.9
78.12274	3.2
79.05495	15.2
81.03433	19.5
81.07063	39.0
83.04955	2.5
83.08637	25.1
85.02909	45.8
85.04403	2.7
85.10195	4.5
91.03970	26.6
91.05499	4.8
93.07069	16.1
95.08611	35.7
97.02359	4.3
97.02901	45.6
97.06535	5.2
97.10169	16.0
97.57948	2.8
98.17007	2.8
99.04446	10.9
99.93123	2.6
101.02367	13.1
103.03924	8.0
105.06054	2.8
105.07031	4.8
107.08601	11.1
109.02851	11.7
109.10156	11.6
111.04469	2.8
111.08089	3.4
116.04663	2.7
119.08587	3.8
121.10118	16.0
123.11802	3.3
127.03947	16.6
129.05460	5.6
131.08521	3.1
133.10150	4.0
135.11674	11.6
144.54306	3.2
145.04982	9.4
147.04446	5.3
147.08098	3.1
149.13223	8.5
153.12743	4.2
155.25699	2.8
163.03894	4.5
183.06538	6.2
201.07570	5.6
247.24210	11.4
265.25308	29.9
327.74536	2.9
339.28961	100.0
367.28659	3.5
483.33057	8.1
501.34616	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	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01864	3.6
55.05519	19.6
57.03426	1.4
67.05512	18.9
68.99775	1.6
69.03423	1.7
69.07075	6.6
70.20343	3.5
70.20735	2.1
73.03002	1.2
76.28674	1.2
79.05066	1.4
79.05503	17.5
81.03420	5.5
81.07055	19.2
83.04990	7.3
83.08632	17.5
85.02890	1.6
85.06525	1.6
88.98284	1.5
91.05476	17.0
93.07044	16.1
95.04979	29.6
95.08629	12.6
97.06533	4.2
97.10171	5.1
105.07030	19.6
107.04956	8.4
107.08596	14.1
109.06531	4.5
109.10199	7.3
111.08096	3.8
111.51886	1.3
117.07037	7.8
119.08591	15.9
121.06533	2.2
121.10149	10.1
123.08075	3.1
123.11736	1.4
125.09624	6.6
129.01880	6.7
129.07004	3.7
131.08542	10.1
131.09290	1.0
133.10150	16.1
135.08069	4.4
135.11710	7.3
137.09557	3.2
137.80727	1.2
139.00261	1.8
141.07013	1.5
143.08641	1.5
145.06537	1.3
145.10143	16.9
147.02916	2.0
147.08060	2.0
147.11684	7.3
149.09610	19.1
149.13243	1.9
151.11166	2.6
154.38765	1.4
155.08572	2.3
157.01331	1.6
159.11693	9.5
161.09630	2.8
161.13326	3.5
163.11194	20.1
169.10106	2.6
171.11652	2.4
173.09665	2.3
173.13286	2.4
175.14934	1.5
177.12798	2.5
187.11107	3.3
189.11176	6.8
191.14407	1.3
193.12457	1.4
197.13313	2.2
205.12373	2.1
211.13336	2.6
211.67525	1.3
213.16388	1.5
223.13307	37.6
229.19518	2.2
239.18011	8.3
247.20540	1.7
252.09204	1.4
257.19006	16.1
275.20081	100.0
293.21136	61.1
306.92645	1.7
311.22064	2.0
318.19138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43893	3.0
53.03940	5.1
55.01872	10.4
55.05513	27.6
61.02903	3.5
62.00174	2.8
62.59714	3.3
65.03960	3.5
67.05509	28.9
69.03419	8.6
69.07054	17.9
69.28580	28.2
70.06588	3.5
79.05486	34.2
80.79823	4.0
81.03419	12.4
81.06593	5.6
81.07061	93.5
83.04990	18.2
83.08642	16.4
83.09064	2.9
85.02908	6.7
91.05471	22.0
93.07056	32.2
95.04961	18.8
95.08626	33.5
97.06523	9.7
97.10169	19.2
98.20769	5.7
99.04486	3.2
105.07024	25.8
107.04947	5.8
107.08608	26.0
109.02915	4.7
109.06521	9.9
109.10163	17.6
111.04449	16.7
111.08084	6.2
117.07036	12.3
119.04930	3.5
119.08584	24.7
121.06525	6.9
121.10133	18.4
123.04361	3.1
123.08052	12.5
123.11706	9.6
125.09658	20.4
127.03913	6.7
129.07027	8.7
131.05006	3.4
131.08566	14.1
133.06534	5.1
133.10136	10.6
135.08018	6.3
135.11688	14.8
137.05991	3.7
137.09605	4.7
139.11171	4.2
143.08551	3.9
145.10120	17.8
147.08060	10.8
147.11697	8.8
149.06038	3.7
149.09630	6.9
149.13287	9.1
151.07536	5.3
153.09169	4.8
153.12766	7.1
157.10074	3.6
159.07999	3.4
159.11702	11.7
161.05948	3.9
161.09622	8.6
161.13249	5.2
163.11209	13.9
163.14862	3.8
165.09140	9.0
167.07040	5.5
171.11732	4.2
173.09619	3.9
175.07610	4.2
176.14360	3.6
177.05473	5.9
181.12305	10.7
189.11186	15.4
191.10678	8.3
202.70078	3.3
209.11742	4.5
223.13231	7.1
227.12650	15.3
227.18069	5.9
249.14990	3.8
255.17537	3.9
273.18481	42.5
275.23645	3.5
291.19562	100.0
293.24921	4.3
303.23114	6.9
309.20740	17.2
339.12418	4.7
371.40762	3.2
435.03888	3.5
501.18869	7.1
501.30106	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	501.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05506	0.9
55.71940	0.6
56.96297	0.8
56.96564	11.2
57.07066	0.6
60.05650	6.1
67.05497	1.8
69.03426	0.7
69.07073	0.7
69.53766	5.4
70.06246	1.0
70.06596	12.7
71.04977	1.0
71.95285	0.8
72.08150	2.4
79.05482	1.7
81.03423	1.5
81.07052	4.4
84.96034	7.5
85.02887	1.7
91.05474	3.6
93.07059	1.7
95.04971	1.7
95.08604	1.2
97.02880	1.1
97.07659	1.0
98.20754	1.2
98.97582	15.2
102.97054	1.0
105.07020	1.3
107.04980	0.7
107.08579	1.1
109.06478	0.8
109.10134	1.1
110.97571	1.6
112.08707	1.7
112.99158	1.3
114.10303	2.1
116.07092	5.4
116.98620	12.0
117.03374	1.1
119.04927	2.8
119.08548	1.7
121.06535	1.2
121.10117	0.8
123.11633	0.9
124.99131	1.0
128.98650	4.4
130.09767	3.0
131.00139	3.5
133.10081	0.8
134.99669	6.4
135.08025	0.8
137.06013	1.5
140.00186	1.5
140.98610	0.7
143.00151	7.4
144.98099	1.8
145.01819	0.8
145.02847	3.2
145.10088	1.1
146.99615	3.9
147.04416	16.0
149.01208	4.2
150.03134	1.8
151.03908	0.8
153.00690	1.0
155.00142	0.9
158.01279	0.8
158.09219	2.1
158.99658	5.1
161.01208	18.9
162.99139	2.9
163.07559	0.9
165.00668	0.8
165.05460	1.2
167.00169	0.9
167.07076	0.7
170.99677	1.2
173.01155	0.7
175.11914	34.2
177.00717	9.8
177.05469	4.1
178.02612	13.6
179.02261	4.9
179.06943	0.6
184.02824	1.9
185.01208	6.5
187.02763	1.5
189.00734	2.3
191.02153	0.9
193.04973	100.0
195.01797	1.3
200.02281	0.8
201.00706	4.9
203.02295	9.9
207.01805	1.0
210.99200	0.8
213.00676	0.9
215.02290	1.4
217.03923	1.4
219.01761	18.9
221.03371	1.3
226.03914	0.9
227.02332	0.7
229.00211	8.6
237.02802	10.1
242.03339	2.1
243.01711	1.2
245.03308	4.3
247.01236	2.1
252.01764	0.9
253.00191	1.3
254.17456	1.2
256.19131	1.3
257.03394	1.0
260.04449	0.7
261.02914	0.7
271.01178	1.7
273.02921	1.8
275.04419	0.9
285.02780	0.8
287.04446	2.1
289.05887	1.6
291.19531	1.6
297.02576	1.1
305.05420	0.7
329.05331	1.0
337.02368	2.4
339.08578	1.3
347.06488	7.2
355.03369	4.4
359.23172	1.3
365.07489	5.4
388.09241	1.6
399.06107	3.9
441.07056	2.4
483.08353	4.4
483.31735	2.0
501.08975	11.6
501.14252	6.9
501.33063	8.1
519.10242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.5
57.03437	2.9
59.04994	3.2
64.36520	2.3
65.03955	4.6
67.05515	27.7
69.03429	14.0
69.06732	2.3
69.07076	34.7
69.38980	24.1
70.06592	4.4
71.04987	4.6
73.02927	3.5
79.05489	8.1
81.03425	11.5
81.07063	37.8
83.04989	8.7
83.08649	2.5
85.02892	12.5
91.05483	8.7
93.07046	16.9
95.04961	10.7
95.08618	18.7
97.02916	15.9
97.06523	5.1
97.10183	6.0
98.21600	2.5
99.04429	4.1
103.03915	2.6
105.07026	13.9
105.61533	2.6
107.04955	4.0
107.08607	26.2
109.02879	7.4
109.06512	7.0
109.10164	100.0
111.04447	12.6
111.08040	4.9
113.06030	2.9
117.07023	3.4
119.08567	11.4
121.06500	4.2
121.10147	8.8
123.08031	3.1
123.11724	35.5
125.05909	2.8
125.09652	2.3
127.03909	8.4
127.11195	29.5
131.04886	2.5
133.06476	2.5
133.10155	6.5
135.08081	2.9
135.11670	5.2
137.05969	8.5
139.03909	32.2
139.11166	3.9
141.46684	2.2
145.04953	3.6
145.10124	3.7
147.04431	3.5
147.11700	7.0
149.05975	2.5
149.09669	5.6
149.13271	4.6
151.11169	20.3
159.07947	2.3
161.05968	4.4
161.09666	4.2
163.03848	3.7
163.11147	3.2
165.09062	5.5
167.07089	4.6
169.12251	17.6
170.05695	3.5
171.06505	31.2
175.07619	3.1
177.05530	5.2
181.04997	3.8
183.06438	2.3
187.13330	5.2
189.09418	3.2
193.12157	2.8
195.06508	3.6
201.09044	3.0
213.07523	3.4
233.08096	2.4
237.07677	3.6
245.10124	3.6
261.07648	11.1
262.27081	2.3
277.14291	3.4
279.08643	6.3
295.15302	7.1
297.11282	2.9
303.23206	6.2
313.16412	6.6
321.24380	6.2
339.12564	2.8
498.71194	2.8
501.30341	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	500.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90833	1.9
51.17941	1.6
53.03949	4.0
55.05507	7.1
55.14714	1.5
57.03430	4.7
60.64709	2.3
61.02924	3.0
65.03995	1.6
65.17503	1.8
67.05506	10.4
69.03430	5.0
69.07063	6.3
69.24760	1.6
70.06588	8.6
70.92432	5.1
71.05008	4.2
74.06073	1.8
79.05518	11.0
81.03425	100.0
81.07062	11.6
83.04995	6.1
83.06124	3.1
83.08620	22.8
84.04536	2.0
85.02914	10.7
86.09689	2.5
90.82513	1.9
91.05495	16.7
93.07060	7.9
95.04972	35.1
95.08643	3.6
97.02873	9.2
105.07043	7.4
107.04975	10.4
107.08610	4.0
109.02917	2.1
109.06529	2.5
110.07140	3.4
111.04461	4.0
111.08104	13.2
115.05457	2.0
119.08586	9.7
119.09357	2.0
121.06606	2.1
121.10190	6.2
123.04411	3.8
123.08152	2.5
124.07631	5.1
127.03956	3.7
129.07014	8.3
131.08571	10.1
133.06500	3.7
133.10152	6.1
134.99651	2.2
136.07571	5.0
137.05974	4.7
139.03935	5.9
140.07083	4.3
142.07794	2.5
145.04915	2.7
145.10164	2.9
147.04410	2.6
147.08066	5.4
147.11674	8.6
148.07597	2.2
149.09637	6.4
157.10092	11.4
167.07083	3.2
173.20529	1.8
175.11179	13.1
177.05600	2.6
184.07388	2.3
193.12257	82.4
197.11751	2.3
211.13281	7.3
267.15939	53.6
285.16995	88.3
300.05823	2.0
309.16962	12.0
310.33130	2.0
319.04636	3.1
320.04843	3.2
337.26776	2.1
363.18115	5.5
429.21210	5.4
456.21970	2.4
500.23230	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	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
53.33643	2.1
55.01865	6.3
55.05515	34.6
57.03191	2.0
57.03443	31.7
57.07072	8.2
59.21261	2.1
61.02929	64.5
65.03944	4.1
67.05509	84.5
69.03440	34.6
69.07077	36.4
71.01357	8.2
71.04995	5.5
71.08630	4.8
73.02923	32.6
75.04509	1.9
76.87416	2.2
79.05501	26.3
81.03423	24.6
81.07059	100.0
83.04987	9.1
83.08624	24.0
85.02908	62.3
85.06551	3.7
85.10168	3.0
87.04472	3.0
91.03960	37.4
91.05479	26.3
93.07049	33.9
95.04974	6.6
95.08614	77.1
97.02899	48.8
97.06523	4.7
97.10175	10.6
99.04446	12.0
99.08096	4.4
101.02393	13.9
101.87942	2.0
102.91378	1.8
103.03962	11.0
105.07038	24.1
107.04958	4.6
107.08598	24.4
109.02888	12.7
109.06522	5.0
109.10162	33.2
110.46185	2.2
111.04436	4.3
111.08086	6.0
111.11724	2.5
113.09673	2.0
115.03937	5.2
117.07056	4.7
119.08578	15.4
121.06531	3.2
121.10162	20.2
123.11714	15.6
125.09663	2.5
127.03922	24.1
129.05467	3.0
129.06992	2.5
131.08589	7.3
133.10167	15.1
134.52629	2.0
135.08072	2.5
135.11687	12.4
137.09586	2.4
137.13304	4.6
143.08546	2.4
145.04951	9.4
145.10126	6.6
147.11653	12.0
149.13275	7.9
151.11212	2.9
151.14832	3.1
153.12717	2.3
157.10077	2.6
159.06552	4.2
159.11659	2.9
161.13300	10.8
163.14812	10.1
171.11696	1.8
173.13246	2.4
173.71439	1.8
175.14832	6.2
177.12761	2.1
183.06581	5.5
189.16437	2.9
191.14258	2.8
194.94910	1.8
201.07535	4.5
215.69069	1.8
227.12808	2.5
245.22589	12.7
261.22134	2.0
263.23727	25.4
291.19589	2.1
291.22900	2.2
292.19772	3.5
303.23325	4.7
305.24713	3.6
306.67416	2.3
319.26224	2.2
321.24274	2.0
337.27377	97.5
338.27576	2.7
359.25403	1.9
365.26743	3.8
371.25922	6.1
389.26822	4.7
397.19275	2.3
445.29324	3.5
463.30737	4.7
481.31705	7.9
499.32745	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	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.2
53.37259	3.3
55.01877	6.4
55.05512	26.4
57.03436	26.8
57.07065	7.7
61.02930	61.4
67.05508	78.0
69.03432	36.3
69.07079	31.2
71.01356	5.8
71.04999	6.1
71.08633	5.1
73.02921	25.6
73.40562	3.0
79.05508	19.5
79.08759	3.1
81.03437	19.6
81.07061	82.9
83.04992	7.6
83.08623	23.5
85.02915	61.9
87.04498	5.1
91.03960	43.1
91.05493	16.4
93.07043	32.5
94.42177	3.1
95.08615	66.9
97.02898	55.6
97.06547	9.0
97.10165	10.3
99.04456	13.3
99.08128	7.6
101.02391	14.6
103.03943	10.6
105.07034	16.1
107.08638	18.1
108.16743	3.8
109.02901	6.4
109.10171	32.8
111.08092	5.8
115.03960	9.0
117.05537	5.9
117.07063	5.0
119.04904	3.3
119.08610	12.1
121.10142	13.5
123.11714	14.3
125.00005	3.8
127.03904	16.1
127.11227	3.1
129.05461	3.8
131.08594	6.4
133.10120	15.6
135.11719	9.3
137.13258	5.0
145.04971	8.9
145.10176	6.2
147.11707	9.9
149.13303	8.7
151.14854	6.7
155.08597	3.7
159.11845	4.6
161.13235	6.4
161.96265	3.2
163.06125	3.5
163.14915	8.4
174.50053	3.2
175.14832	5.1
183.06544	5.1
184.07370	13.7
197.13333	3.9
201.16594	3.7
207.63898	3.4
245.22670	12.4
263.23727	25.0
276.20825	5.1
337.27396	100.0
365.26910	5.5
371.25845	6.2
389.63791	3.6
481.31812	7.6
499.32697	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.3
53.21683	0.4
53.99351	0.3
55.01868	0.7
56.90495	0.4
65.03941	3.1
67.05495	1.4
69.03418	1.3
69.43700	0.7
69.44106	2.5
73.02919	0.5
79.05531	0.4
81.03422	1.0
82.04194	1.1
85.02900	2.6
88.07607	0.4
93.03416	0.6
95.04977	0.9
97.02881	0.4
97.06525	1.2
99.04446	0.4
105.07035	0.7
106.53518	0.3
108.02136	0.5
109.02881	0.9
110.03676	2.5
111.04461	1.2
114.03098	0.4
116.98652	0.4
123.04385	0.4
125.05991	1.3
127.03909	0.8
132.04489	0.5
133.06506	0.9
138.03137	0.7
139.66995	0.3
140.04704	1.0
142.02635	1.2
143.30504	0.4
147.04335	0.4
153.05373	0.4
161.05960	1.1
171.06555	4.0
181.04973	100.0
182.05309	0.6
191.00067	0.4
193.08530	0.4
209.63077	0.4
223.67461	0.3
240.58275	0.4
255.08516	0.5
273.09647	1.1
336.38739	0.4
407.06424	1.4
461.55099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
55.76857	0.8
60.05649	2.0
67.05511	2.8
69.03423	2.2
69.07060	1.4
70.06600	8.1
71.05022	1.3
71.59814	0.8
71.60316	1.2
79.05489	2.0
81.03427	1.6
81.07059	3.2
83.04995	1.3
85.02903	2.8
91.05486	2.2
91.50102	0.8
93.07051	3.9
95.04982	1.8
95.08606	3.3
97.06539	1.3
97.10223	1.0
98.97591	1.7
105.07050	2.9
107.08604	2.7
109.02891	1.2
109.10158	3.1
109.43343	0.8
112.08732	0.9
119.08585	1.4
121.06464	1.0
121.10172	1.9
123.11689	1.6
127.03945	1.0
128.07040	0.9
130.08675	2.3
131.08624	1.5
133.10156	1.7
134.18555	0.9
135.11671	0.9
137.05994	2.8
147.11693	0.9
149.09735	1.0
163.07562	1.2
172.10814	2.8
175.11906	2.9
177.09200	1.2
177.12685	0.8
185.04309	1.6
187.07722	1.0
189.13503	3.7
191.10410	1.0
193.08784	1.1
254.17508	7.3
258.11951	1.2
302.14487	2.5
314.19858	1.0
319.22879	0.9
331.10010	30.5
337.23859	1.1
338.20633	1.0
343.03125	0.9
373.24854	1.2
481.27826	1.2
499.21594	100.0
499.34924	6.6
500.21799	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	498.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
55.05518	13.4
56.96559	1.7
57.03437	2.1
58.81482	1.6
59.04999	1.6
62.31063	1.7
66.74787	2.0
67.05510	18.7
67.91753	1.8
68.01130	1.8
69.03425	2.1
69.07074	5.4
69.44410	2.0
71.59870	2.1
74.86437	1.6
79.05496	14.4
81.03425	2.2
81.07068	27.3
83.04959	4.5
83.08620	8.0
91.05479	7.6
93.07033	9.2
94.47382	1.8
95.04992	10.1
95.08611	5.8
97.06520	1.6
97.10169	10.8
97.73522	1.8
98.47885	1.7
105.07034	9.0
107.04957	2.3
107.08595	8.6
109.06529	2.9
109.10155	10.9
111.04466	3.6
117.07019	5.8
119.08574	12.2
121.06505	3.0
121.10147	4.2
123.08073	4.3
125.09647	9.0
129.07019	2.0
131.08592	5.2
133.10176	3.9
135.08058	4.9
135.11673	2.1
143.08585	1.7
145.10144	7.3
147.04350	1.8
147.07999	8.2
149.09663	4.0
153.09109	1.8
159.11751	2.3
161.09575	4.2
163.11186	5.4
165.09167	3.9
173.09634	2.2
173.11777	4.7
181.12242	3.5
189.11252	10.5
191.10713	3.8
223.13235	4.5
227.12779	5.8
245.18752	2.9
249.14894	2.7
255.17328	2.3
270.71225	1.6
273.18542	18.9
291.19550	100.0
292.19873	2.1
309.20624	7.4
445.29431	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86166	1.8
54.40557	1.5
57.07079	45.7
59.04999	4.5
60.37204	1.7
68.74481	1.7
69.07058	2.6
71.08631	39.2
71.61567	3.4
73.06548	7.0
81.07064	2.5
85.10181	34.7
87.04462	3.5
89.06036	100.0
91.07607	1.8
97.10176	3.0
99.11718	7.9
99.12307	1.6
107.07066	6.2
109.29874	2.1
117.09120	2.8
119.04987	2.4
130.08653	4.5
133.08603	53.6
135.10216	1.8
141.16399	4.7
147.04460	3.0
155.17955	3.6
177.11234	24.3
199.20609	6.3
221.13885	4.3
239.14966	2.7
243.23244	10.8
283.17538	14.5
287.25836	5.2
323.20770	2.0
324.79437	1.7
327.20151	11.8
338.66840	1.7
481.37366	23.3
498.39819	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	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.8
54.60598	6.6
55.01865	15.8
55.05513	47.8
56.71135	6.2
57.03421	16.0
57.62852	6.7
59.05006	8.4
61.02923	15.0
67.05509	90.2
69.03416	20.6
69.07081	15.6
70.06582	31.1
71.01357	8.8
71.04987	10.2
71.59892	7.8
71.60253	7.9
73.02900	14.8
79.05488	54.2
81.03426	68.1
81.07056	52.9
83.04971	26.4
83.08608	14.3
85.02909	34.8
85.06553	12.8
86.09708	32.4
90.82680	7.4
91.05473	26.6
91.97657	7.1
92.05781	7.2
93.07076	45.8
95.04952	21.5
95.08601	24.5
97.02882	34.7
97.06535	17.0
97.10165	10.0
99.04440	7.6
104.51886	8.8
105.07035	19.3
107.04949	40.5
107.08633	33.5
109.02858	12.2
109.10154	69.9
111.04446	20.1
111.08048	13.7
116.98631	7.0
117.03397	7.5
117.07001	14.6
119.08569	22.4
121.10127	23.2
123.04397	14.3
125.00005	16.3
125.09621	12.3
131.08548	13.1
133.10176	8.9
135.11674	28.7
137.05972	16.0
138.06384	8.1
139.03908	16.1
139.11098	7.5
145.02872	7.3
145.10132	22.7
147.04300	14.9
151.03883	11.5
153.05469	10.2
153.12825	34.0
155.10606	10.9
159.20535	7.4
163.03940	8.2
163.11212	75.9
167.07072	13.2
168.07430	8.2
173.09619	9.9
173.11787	39.9
175.11810	12.0
176.07216	6.6
177.05484	30.4
179.06940	7.0
181.12233	16.6
184.07335	96.1
191.10715	17.0
207.06528	14.9
209.11829	12.0
227.12880	12.6
229.14381	100.0
237.02792	7.5
242.63684	7.7
254.03801	7.0
257.04382	8.4
261.99500	6.6
288.55676	7.8
359.07718	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05848	5.8
53.03941	11.3
55.01856	15.9
55.05515	42.6
57.03426	16.2
59.04977	6.1
60.08186	5.7
61.02916	8.2
67.05510	69.1
67.70511	5.1
69.07056	17.4
69.72432	9.6
69.72849	28.3
70.06577	10.5
71.01362	8.0
71.04993	11.0
73.02919	13.7
79.05508	47.3
81.03421	48.4
81.07053	47.0
83.04983	28.3
83.08596	8.8
85.02908	22.6
85.06536	8.7
86.09689	17.1
86.99535	6.3
91.05485	35.9
93.07051	35.5
95.04948	17.2
95.08612	30.7
97.02896	42.1
97.06516	16.3
97.10155	11.2
99.04451	7.7
102.32333	5.4
105.07026	20.3
107.04957	31.4
107.08599	20.2
107.41877	6.3
109.10154	65.2
109.84169	5.3
111.04439	18.4
111.08065	7.0
116.94575	6.1
117.07000	18.3
119.04987	7.7
119.08588	22.9
121.06548	12.4
121.10133	25.0
123.04472	6.8
125.00015	13.9
125.06031	6.4
125.09614	16.0
131.08559	14.8
135.11678	33.7
137.05994	9.0
145.02907	9.5
145.10095	29.9
147.04408	15.7
147.08073	7.4
153.12767	28.8
155.08598	7.7
155.10570	6.3
155.14299	6.8
163.11159	75.3
173.09616	13.3
173.11742	39.0
177.05475	13.6
179.07111	8.1
181.12222	15.4
184.07324	71.9
191.10670	14.0
207.06490	12.1
209.11699	14.0
227.12752	12.0
229.14375	100.0
250.04173	6.2
283.15372	6.3
301.16458	8.1
445.20844	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	496.3403
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.77518	0.6
52.57566	0.7
57.07070	2.9
58.06599	2.0
60.08164	14.5
67.05505	1.1
69.07054	0.8
69.39644	0.6
70.29980	2.1
71.07379	5.6
71.08620	2.0
81.07064	1.0
83.08601	1.0
86.09711	44.9
95.08610	1.9
96.50483	0.8
98.20705	0.8
98.98472	3.2
104.10751	100.0
105.11057	0.8
109.10146	0.8
124.99076	1.2
125.00009	27.2
184.07352	95.5
185.07777	0.9
196.73419	0.7
258.11237	0.8
313.27335	2.4
358.80893	0.7
478.32950	9.6
496.34021	43.9
497.34375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29800	0.4
52.36754	0.4
53.18237	0.4
56.05039	0.4
56.44532	0.4
57.07073	0.7
60.08170	4.0
61.18301	0.4
67.05506	0.9
69.38911	3.8
71.07378	2.1
71.08646	0.6
71.82157	0.5
81.07043	0.6
84.32371	0.4
85.02840	0.4
86.09713	22.4
95.08608	1.0
98.98452	1.8
104.10762	2.8
105.07047	0.5
109.10139	0.5
112.05584	0.4
125.00014	13.7
126.62044	0.4
163.07622	0.8
184.07353	100.0
185.07526	0.5
187.29774	0.4
255.76193	0.4
344.44437	0.4
390.36572	0.5
450.53403	0.4
478.32794	1.4
496.34048	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01875	0.3
55.05512	0.4
56.96565	0.3
57.03428	0.9
69.03442	1.3
69.07063	0.4
70.06589	0.8
71.00195	0.5
71.00526	0.3
71.01344	0.2
71.04995	5.9
73.02902	0.4
78.04729	0.6
79.05491	0.5
81.03438	1.4
81.07048	0.9
83.04959	0.6
85.02421	0.5
85.02912	7.0
86.03202	0.3
86.09711	0.3
91.03913	0.3
91.05463	0.8
91.25472	0.3
93.07040	0.9
95.04943	0.4
95.08611	0.4
97.02892	2.2
97.06509	0.3
99.04449	0.6
103.05457	0.4
105.07026	0.4
107.04961	2.4
107.08590	0.4
109.02887	2.8
109.06462	0.4
109.10170	0.3
111.04429	0.7
115.03912	0.3
119.08546	0.3
121.06450	1.2
123.04481	1.3
124.05219	0.3
125.34981	0.3
127.03919	3.1
129.05505	1.3
131.04910	0.5
131.08540	0.3
134.03607	0.3
135.11757	0.5
137.05991	1.3
145.10141	0.3
147.04398	0.4
149.05974	1.0
150.05470	0.4
151.03827	0.3
152.04665	0.8
153.01743	0.3
153.12738	1.0
154.13080	0.6
163.07513	0.9
164.07921	0.3
166.06187	0.4
167.07045	100.0
168.07408	2.8
172.03958	0.2
176.04741	0.3
177.05482	7.2
181.08635	1.6
187.05984	0.3
193.08589	0.9
194.08879	0.5
209.08099	40.9
210.08546	0.5
219.06471	0.3
226.82416	0.3
227.09174	5.3
227.12665	0.3
234.12224	0.3
239.09190	0.7
251.09102	0.4
259.09641	0.4
283.15485	0.3
285.07553	0.5
299.11227	0.4
303.04974	1.2
317.10297	2.1
319.03958	0.9
320.04111	1.0
321.04547	0.9
333.05948	0.3
334.06619	1.4
335.06586	1.5
335.11279	1.6
336.06726	2.4
336.12796	0.4
347.07526	1.4
353.12341	8.4
356.15842	0.7
371.13199	0.9
377.01764	2.7
378.02179	0.5
388.18536	0.4
395.02737	0.9
405.01270	1.5
406.19159	0.4
421.04382	2.8
422.04721	0.3
424.02847	0.3
425.06317	0.4
425.56104	0.3
439.05759	1.6
444.05591	0.5
463.05304	0.4
498.12317	1.1
498.28082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.05504	0.6
56.09222	0.4
56.13790	0.3
57.03435	0.6
59.05001	0.9
61.02914	0.6
63.29595	0.4
65.03950	1.3
67.05507	1.8
69.03430	1.2
69.48662	3.2
70.06590	1.3
71.05004	0.6
73.02919	0.6
79.05499	0.6
81.03419	2.0
81.07068	0.7
82.07376	0.4
83.08611	0.4
85.02918	1.5
86.11717	0.4
87.04462	1.4
88.98198	0.4
89.03909	0.6
91.05491	15.0
95.04979	0.6
95.08624	0.5
97.02903	1.3
97.10149	0.5
98.97524	0.4
107.08586	0.7
109.02886	0.9
109.10166	1.5
110.10500	0.7
111.04446	2.7
115.01385	0.3
115.03920	0.4
119.04954	31.0
119.08560	0.5
125.09644	0.6
127.03928	1.1
135.04372	0.5
137.05988	1.7
139.03912	5.0
143.38638	0.4
145.02899	0.5
145.05081	0.5
147.04420	100.0
148.04762	0.7
149.02377	0.5
157.04012	1.5
163.03900	0.5
164.04744	0.5
165.05511	0.8
171.06560	3.9
173.11639	0.4
174.11992	0.5
175.03922	29.8
177.05502	1.6
178.09801	0.5
178.47133	0.4
179.03363	0.6
179.07040	1.3
191.03279	0.4
193.04968	0.5
204.36838	0.4
207.06544	74.0
224.08115	0.4
229.14415	0.5
291.08746	0.8
302.58493	0.4
309.09415	0.8
319.04178	0.5
332.08356	1.3
333.08954	0.5
334.05890	0.6
334.09286	1.0
351.10626	0.8
369.11676	0.6
496.24365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23276	1.0
53.03942	3.3
55.01879	4.9
55.05507	2.7
57.03439	6.1
57.07080	8.0
59.05009	6.2
61.02681	1.0
61.02926	10.4
65.03909	1.0
67.05508	6.9
69.03432	26.6
69.07063	8.1
69.59845	4.4
69.60272	2.8
70.06569	1.7
71.05004	5.4
72.06920	0.9
73.02923	6.4
79.05471	1.3
80.18961	1.1
81.03417	12.6
81.07066	5.5
83.04969	1.2
83.08614	5.1
85.02906	100.0
85.06546	6.4
85.10187	1.3
87.04464	3.9
87.81763	1.0
91.03943	3.4
91.05482	1.4
93.07045	4.1
95.04972	4.4
95.08608	53.3
97.02892	33.3
97.06518	3.7
97.69696	0.9
99.04466	4.6
99.08095	8.6
103.03911	1.5
105.07061	1.2
107.08610	6.6
109.02875	9.9
109.06525	10.9
109.10156	11.4
111.08070	5.9
111.11738	1.8
113.09645	68.1
115.03964	2.3
121.10037	0.9
125.02306	1.4
125.06071	1.0
127.03921	22.4
127.11200	20.0
133.04974	4.3
135.11702	9.7
137.06003	1.0
137.09651	1.6
137.13237	4.5
140.04712	2.0
145.04955	24.6
151.07513	1.4
153.12746	51.4
155.14301	15.8
163.06046	6.5
171.13808	48.6
177.12749	2.3
179.05544	8.5
193.53445	0.9
195.13846	3.6
213.14890	13.2
214.15204	1.2
249.14902	2.2
261.14960	1.3
267.15921	2.2
279.15973	3.7
297.16916	2.8
333.18860	5.1
372.94812	1.1
495.15314	1.4
495.23981	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2566
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
53.03939	2.6
55.05495	6.1
56.96553	1.7
57.03418	1.8
61.02951	2.0
67.05505	13.8
69.03435	3.5
69.07047	4.0
70.06573	2.0
70.79306	3.9
70.79644	2.3
72.08188	2.1
79.05469	5.6
81.03400	4.9
81.07056	13.5
83.04984	3.3
83.08578	3.7
85.02895	3.5
91.05489	7.9
93.07021	6.4
95.04952	2.3
95.08595	4.3
97.02885	3.1
101.02381	1.5
105.06989	6.5
107.04944	3.5
107.08565	5.9
109.06509	2.9
109.10127	6.2
117.07069	1.7
119.08566	4.7
121.10167	3.9
127.03858	2.1
128.07077	3.9
133.10124	3.6
135.08034	1.8
135.11681	1.6
139.07458	2.1
145.10147	1.7
147.04370	1.6
147.11662	2.2
149.09544	2.4
149.13284	1.9
149.46391	1.5
187.07535	1.7
193.12228	2.2
227.55273	1.6
333.06335	1.9
333.16382	3.6
333.20364	73.4
341.39038	1.8
438.91379	1.9
459.34769	2.4
477.27780	2.2
477.35428	3.5
495.25427	100.0
496.25552	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1841
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
53.03926	0.2
55.05510	0.4
65.71657	0.1
67.05517	0.7
68.05034	0.2
69.03429	0.3
69.07065	0.5
70.06593	0.3
71.04977	0.2
71.60000	0.2
79.05499	0.4
81.03414	0.4
81.07065	1.0
83.05001	0.3
83.08613	0.3
85.02905	0.4
85.06528	0.2
89.14545	0.1
91.05470	0.7
93.07059	0.8
95.04963	0.2
95.08589	0.4
97.02897	0.3
100.11237	0.2
105.07040	0.5
107.04967	0.3
107.08591	0.6
109.02866	0.2
109.06549	0.4
109.10166	0.4
111.04427	0.2
111.08062	0.2
114.05547	0.9
117.07045	0.2
119.04929	0.2
119.08608	0.4
119.66972	0.1
121.06575	0.2
121.10120	0.7
123.08089	0.2
123.11714	0.1
128.07086	6.6
129.05258	0.5
131.08624	0.2
133.06505	0.2
133.10153	0.2
135.08055	0.3
135.11674	0.1
137.06015	0.2
137.09586	0.1
145.10141	0.3
147.11693	0.2
149.06036	0.2
149.09647	0.5
153.05504	0.1
153.09163	0.2
161.09656	0.2
163.07596	0.1
163.11180	0.2
165.09186	0.2
167.07063	0.5
170.09285	1.1
175.01196	0.2
177.05515	0.2
189.01611	0.2
197.08112	0.2
219.13835	0.3
223.09665	0.2
245.07797	0.7
258.10693	0.1
266.02887	0.2
273.09503	1.6
277.06876	2.2
291.10516	7.9
292.10938	0.2
319.04623	0.2
333.06165	0.2
333.13116	2.2
356.45987	0.1
439.12164	3.1
439.24783	0.2
459.26761	0.2
477.30756	0.9
495.18381	100.0
496.18707	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69532	0.1
55.05524	0.2
57.03434	0.2
61.02929	0.3
64.87173	0.1
67.05508	0.4
68.99806	0.2
69.03435	0.9
69.07067	0.3
70.06570	0.3
71.31332	0.3
73.02938	0.3
78.89960	0.1
79.05495	0.3
81.03430	0.4
81.07065	0.5
85.02903	1.4
86.09713	0.4
86.65677	0.1
91.05474	0.6
93.07053	0.3
94.06601	0.1
95.04979	0.3
95.08596	0.4
97.02898	0.5
97.06547	0.2
99.04459	0.4
104.05817	0.1
105.07045	0.2
107.04964	0.2
107.08598	0.3
108.02192	0.1
109.02888	0.8
109.10173	0.6
111.04449	0.2
111.08092	0.2
112.51019	0.1
113.05785	0.3
117.07036	0.1
119.04984	0.2
119.08595	0.1
121.02833	0.1
121.06458	0.2
121.10158	0.4
123.11742	0.2
125.02375	0.1
126.03155	0.6
127.03929	0.4
131.04921	0.2
131.08580	0.2
133.02933	0.1
133.10152	0.2
137.02339	0.4
137.05995	1.1
138.06334	0.5
139.03888	0.2
144.14325	0.1
147.04338	0.1
149.13287	0.2
151.03940	0.2
151.07571	0.3
152.07898	0.2
153.01833	3.8
153.05551	0.2
163.03905	0.7
163.07524	0.3
165.01852	0.2
166.02678	0.6
167.03354	0.3
167.07063	0.3
179.03462	0.3
188.04669	0.2
191.08221	0.5
192.08517	0.2
193.01369	0.3
205.04964	0.2
205.08585	0.1
206.05806	0.2
208.03633	0.5
211.12737	0.1
216.04196	0.8
217.04893	0.1
219.02876	1.5
220.03609	0.6
230.02075	0.3
231.06490	0.2
233.04453	0.3
234.05310	0.4
241.04964	0.2
243.02946	0.3
244.03699	2.5
245.04512	1.7
249.11273	0.2
257.10031	0.2
259.05981	0.3
261.04086	0.9
261.07202	0.9
262.04681	0.3
272.03198	1.2
273.03915	1.0
275.11005	2.5
279.23123	0.2
286.04639	0.2
287.05490	0.4
289.03479	1.4
290.04214	3.6
291.04688	0.1
300.02710	0.3
300.99997	0.2
301.03448	4.5
301.06625	0.2
315.04929	0.2
316.99155	0.2
317.02933	5.7
318.03711	42.4
319.04065	2.0
333.06049	100.0
334.06412	4.5
402.87857	0.1
423.12521	0.5
468.21558	0.1
495.11285	5.8
495.18283	36.7
496.11536	0.5
496.18637	0.8
500.53793	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	495.1839
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.05501	0.5
65.74336	0.3
69.03436	0.3
70.66685	0.8
73.02907	0.4
77.86640	0.2
81.03419	0.3
85.02913	0.7
88.96679	0.2
89.54842	0.2
98.79665	0.3
98.97606	0.3
113.05782	1.0
118.36726	0.2
133.00314	0.3
145.02835	0.5
149.02380	0.4
177.05466	2.1
203.05331	0.5
228.46935	0.3
243.06343	0.7
256.07825	1.2
257.10086	0.8
261.07364	6.5
275.11014	4.3
315.11969	3.6
318.03827	0.5
333.06067	1.5
333.13025	3.4
363.07217	0.4
394.19797	0.3
423.12634	1.4
439.49411	0.3
460.65680	0.3
478.19266	0.3
495.18396	100.0
496.18680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1136
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
62.80098	0.2
62.83599	0.2
64.80612	0.2
69.03400	0.4
69.07030	0.2
70.05319	0.6
70.05726	0.5
71.32389	0.2
81.03370	0.2
81.07050	0.2
85.02869	0.6
87.99308	0.2
109.02828	0.7
109.10184	0.2
120.05871	0.2
123.04465	0.2
126.03079	0.7
127.03879	0.3
137.02420	0.3
137.05917	0.3
153.01831	3.5
163.03886	0.6
166.02600	0.4
179.03279	0.3
188.04581	0.2
191.03381	0.2
206.05690	0.3
208.03629	0.4
214.39069	0.2
216.04134	0.8
217.04984	0.2
219.02908	1.4
220.03670	0.2
223.51941	0.2
230.02084	0.4
233.04469	0.4
234.05153	0.4
240.26471	0.2
243.02864	0.3
244.03682	2.4
245.04436	1.3
247.02345	0.2
261.03946	0.9
261.07217	0.3
272.03067	1.0
273.04031	1.0
275.10965	0.2
289.03439	1.4
290.04239	3.4
301.03436	3.8
317.02939	4.8
318.03714	42.2
319.04102	0.6
333.06052	100.0
334.06265	1.4
343.49533	0.2
495.11340	7.1
495.18466	5.7
495.25903	0.4
496.12109	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	495.1135
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.03927	0.4
55.61148	0.2
57.03450	0.8
60.45611	0.2
61.02939	1.3
62.48527	0.2
68.99777	0.2
69.03434	2.8
70.92600	0.4
70.92948	0.2
71.04973	0.2
72.08107	0.4
73.02875	0.7
76.42081	0.2
77.80975	0.2
81.02984	0.1
81.03414	1.3
85.02908	5.7
87.04437	0.6
90.33066	0.2
91.03915	0.4
97.02893	2.0
99.04414	0.6
101.02383	0.2
109.02934	1.0
113.21505	0.2
126.03132	0.8
127.03919	1.4
136.01506	0.2
137.02327	0.5
137.05870	0.2
145.04916	0.6
153.01822	4.7
165.01808	0.2
166.02594	0.7
166.22583	0.2
167.03342	0.2
177.83305	0.2
179.03389	0.6
180.03743	0.3
189.05367	0.2
193.01277	0.3
205.04913	0.3
206.05760	0.4
208.03601	0.2
210.01643	0.2
216.04167	1.1
217.04942	0.4
219.02922	1.9
220.03598	0.3
229.05046	0.2
230.02028	0.3
231.03131	0.2
233.04440	0.6
234.05139	0.3
243.02962	0.2
244.03714	2.7
245.04456	1.8
247.02394	0.2
259.05978	0.4
261.03928	1.1
272.03143	1.0
273.04022	1.1
287.05450	0.6
289.03458	1.7
290.04202	3.7
300.02719	0.3
301.03433	4.6
305.06497	0.2
315.04877	0.3
316.05630	0.5
317.02884	6.1
317.06030	0.6
318.03696	44.4
319.04062	0.6
329.02966	0.2
331.04556	0.3
331.08109	0.6
332.05023	0.3
332.08685	0.9
333.06027	100.0
334.06400	1.2
375.02615	0.2
375.06879	0.8
391.46057	0.2
433.84427	0.2
495.11340	23.9
496.11636	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1137
Annotation	Myricetin 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
50.40941	0.2
57.03425	0.3
67.05476	0.4
69.03430	2.6
70.03757	0.3
70.06598	0.7
71.05013	0.3
71.60047	0.3
79.05496	0.5
81.07072	0.4
85.02907	1.5
86.09715	0.4
91.05482	0.5
95.08576	0.3
97.02878	0.5
98.97574	0.3
107.25552	0.3
109.02868	0.5
114.10225	0.3
120.08089	0.3
126.03144	0.7
127.03899	0.3
137.05965	0.9
139.03957	0.3
140.65681	0.3
145.06451	0.4
153.01830	4.3
158.99707	0.3
161.09566	0.4
163.03914	0.9
166.02657	0.8
177.05399	0.4
179.03314	0.3
181.04973	0.4
192.04160	0.3
193.15880	1.1
194.16217	1.1
205.04907	0.3
206.05644	0.4
208.03651	0.3
211.16908	0.3
212.17278	0.4
216.04153	0.8
219.02965	1.3
219.10217	0.4
220.03654	0.6
233.04416	0.5
234.05330	0.4
243.02878	0.4
244.03682	2.6
245.04497	1.8
261.03952	1.1
272.03186	1.2
273.03903	1.4
289.03320	1.2
290.04221	3.7
301.03369	4.0
307.10703	0.3
315.09717	0.5
317.02948	7.0
318.03720	43.3
319.04315	1.9
333.06058	100.0
334.06302	1.5
389.34006	0.3
495.11374	1.0
495.17416	0.5
495.70386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1135
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
57.03419	1.0
61.02935	2.6
68.99768	0.9
69.03432	2.5
69.49146	4.3
71.04998	0.6
73.02925	0.7
81.03405	1.9
85.02905	7.4
90.10695	0.4
90.60136	0.4
91.03957	1.6
97.02880	2.6
109.02882	2.0
127.03904	1.5
137.02371	0.5
139.03893	1.7
145.04956	1.2
153.01826	6.3
165.01852	1.9
167.03368	1.5
177.58212	0.5
178.02744	0.5
179.03357	0.6
184.27997	0.5
193.04947	0.7
206.05681	0.6
217.04987	2.2
219.02917	3.2
219.14684	0.7
233.04541	1.0
244.03654	1.4
245.04433	3.1
259.06116	1.1
261.04025	0.5
273.03873	3.2
277.07111	0.9
287.05511	1.1
289.03400	1.3
290.04294	1.5
301.03470	5.7
318.03687	9.2
333.06055	100.0
334.06284	0.8
507.48489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0773
Annotation	Myricetin 3-O-glucuronide
Peak:m/z	Relative Intensity
55.01864	0.5
57.03430	1.1
68.99793	1.0
69.03412	0.5
71.01364	1.6
71.24345	0.5
73.02924	2.9
83.01350	0.3
85.02911	8.9
90.98919	0.2
95.01322	1.3
97.02914	0.6
99.00820	0.7
101.02377	0.7
102.14120	0.2
103.03942	0.7
109.02862	0.7
111.00816	2.0
113.02362	3.6
121.02908	0.3
127.03945	0.4
131.03413	2.7
137.02344	1.4
139.03937	0.2
141.01842	1.7
153.01830	7.8
159.02934	2.3
161.06021	0.3
165.01839	2.8
166.02553	0.4
179.03406	1.1
183.02902	0.8
183.04378	0.2
189.05469	0.7
195.02904	0.7
203.03372	0.5
207.02934	0.4
216.04243	0.2
217.04999	3.1
221.04524	0.3
225.76285	0.2
227.03246	0.3
231.03052	0.3
235.05888	0.4
244.03546	0.3
245.04483	4.1
255.02895	0.5
263.05524	0.8
273.03964	3.7
283.02536	0.2
290.04126	1.1
301.03546	1.1
319.04498	100.0
320.04819	1.0
329.02762	0.3
361.05750	0.3
474.27304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94967	0.3
52.11733	0.3
55.05499	1.1
56.05029	0.6
56.79145	0.4
57.03463	0.3
58.06612	0.5
60.08168	5.3
67.05494	1.0
69.07063	0.9
70.06590	0.5
71.07367	2.0
79.05509	0.4
81.07042	1.0
83.08637	0.6
86.09704	27.6
88.07615	0.7
91.05499	0.6
93.07026	0.5
95.08582	0.6
97.10148	0.4
98.98444	2.2
104.10738	2.2
105.07045	0.6
107.08564	0.6
125.00004	18.1
131.08644	0.4
149.02353	1.5
160.67847	0.4
184.07339	100.0
193.04912	1.8
229.60309	0.4
237.07552	1.8
284.29547	1.3
288.44080	0.4
311.25903	0.5
476.31250	1.3
494.33859	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	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01870	0.7
55.05513	3.5
57.03441	9.8
58.79648	0.6
59.05006	1.4
61.02923	1.1
63.28588	0.7
65.26126	0.7
65.60266	0.6
67.05504	1.6
69.03427	2.2
69.07071	13.2
71.01354	0.8
71.04997	74.1
73.02918	2.9
75.04476	5.1
79.05460	0.8
81.03434	1.0
81.07071	4.6
83.04984	14.5
85.02908	100.0
86.06065	0.9
87.04465	2.3
93.07064	1.0
95.04967	1.6
95.08607	1.4
95.65519	0.6
97.02892	4.4
99.04465	1.9
99.08036	0.6
101.06029	1.0
105.07117	0.7
107.08646	1.1
109.02867	1.0
109.10177	1.6
111.04442	6.4
117.07021	0.6
119.08641	0.7
121.10179	1.1
123.11705	11.7
127.03902	3.8
129.05482	51.7
144.06578	0.8
145.04958	3.2
146.08101	0.9
147.06531	24.9
151.11183	21.5
163.05984	0.8
163.07408	0.6
164.09206	2.5
165.07570	1.0
169.12267	0.7
180.08740	1.0
189.08951	0.9
189.88159	0.6
197.31964	0.7
225.07742	1.0
233.12601	0.8
233.15231	0.7
237.44708	0.6
255.08571	3.4
261.14841	1.1
273.09799	1.5
297.17004	15.7
300.05472	0.7
309.11752	0.8
331.08224	1.3
332.08496	2.6
373.03720	0.6
457.90732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
55.05502	4.7
56.05036	2.8
57.03411	3.4
58.99581	6.2
60.04531	2.1
61.02922	4.1
67.05505	9.1
68.05033	1.7
69.03435	89.0
69.07063	2.7
70.06586	8.6
71.04987	7.4
71.06905	2.0
71.07833	1.9
71.57523	2.9
71.67276	1.8
72.08131	2.7
73.02901	2.1
76.02242	12.5
76.62474	2.2
79.05498	4.6
81.03396	3.9
81.07058	10.4
84.04504	4.7
85.02910	27.4
85.06548	13.6
86.99037	3.3
87.04481	2.3
90.04755	1.9
91.05475	4.4
93.07021	3.7
95.08590	7.2
97.02892	8.3
97.06519	2.3
98.09694	15.7
99.10022	6.6
105.00121	4.2
107.04943	2.1
107.08572	3.2
109.02892	3.6
109.06480	2.3
109.10156	51.7
111.04423	3.1
111.08081	42.2
114.10303	3.6
116.01654	3.5
119.08597	2.6
119.76420	1.8
121.02864	1.9
121.10162	4.7
122.02734	91.9
123.11700	14.1
127.03918	7.3
133.10188	2.8
135.08057	2.6
135.11751	4.8
137.05986	3.5
137.09596	5.6
143.05238	8.6
145.04956	7.5
155.10658	11.6
157.14578	2.2
162.02176	3.9
169.08606	2.4
175.14844	2.8
180.06506	2.6
187.09682	2.4
191.14328	6.0
193.15906	51.0
209.15366	7.9
211.16946	100.0
243.14217	11.5
327.07541	1.9
332.18967	44.0
359.38867	1.9
365.13928	2.7
470.13522	2.1
494.10620	2.1
494.17322	7.5
494.24200	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	494.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08909	0.3
52.17804	0.3
55.01878	0.4
55.05502	0.6
57.03420	0.4
61.02935	1.0
61.26305	0.4
61.65170	0.4
67.05499	0.6
69.03433	100.0
69.07087	0.7
70.03777	0.6
70.06599	0.7
71.04991	0.7
71.60188	0.8
73.02915	0.4
76.02209	0.5
79.05503	0.4
81.03408	0.9
81.07069	1.3
85.02911	4.3
87.24978	0.4
93.07040	0.4
95.04991	0.5
95.08606	0.8
97.02915	2.0
106.87376	0.4
109.02880	1.0
109.06492	0.5
109.10169	1.1
111.08057	2.0
119.08602	0.5
121.10139	0.8
122.02724	2.5
123.08062	0.7
123.11719	3.9
124.07660	0.5
125.09641	0.9
127.03908	0.8
133.10136	0.9
135.08037	1.9
135.11685	0.4
137.06023	0.8
137.09633	0.9
141.05463	0.4
143.05199	0.4
146.02740	0.6
153.01799	0.4
157.06859	0.4
161.06033	0.6
175.14879	0.7
177.05504	0.6
191.14348	1.3
193.15892	82.3
194.16202	0.8
197.04073	0.4
211.16945	41.7
248.05859	0.6
289.03183	0.4
301.03665	0.5
318.03754	0.9
319.04388	3.1
320.34958	0.4
332.18918	17.2
333.06064	5.3
476.23438	0.5
494.23911	1.5
495.15247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.1
57.03431	7.1
57.07080	54.2
58.84506	5.0
59.26642	4.6
59.37101	4.4
59.84784	4.3
65.02060	5.2
65.40612	4.3
66.28369	5.3
67.05502	25.7
69.03419	5.6
69.07066	18.8
71.08633	49.9
71.60883	5.9
75.84882	4.7
79.05489	6.3
81.03391	6.0
81.07055	30.8
83.04970	5.0
83.08612	20.4
85.10188	33.1
85.77901	5.8
89.06021	27.3
89.64635	4.7
91.05484	8.0
93.07040	7.6
95.08607	33.9
97.10172	10.2
107.04937	7.3
107.08557	8.5
109.10168	19.3
119.08612	8.8
120.08118	10.3
121.06538	6.1
123.04436	11.6
123.11686	7.3
131.08571	5.3
133.08607	9.6
133.10110	5.2
137.05978	21.0
147.04411	14.0
149.05991	12.1
161.05956	6.1
173.20598	4.7
175.07596	5.8
177.09175	9.7
189.09035	7.0
191.10716	11.9
239.23743	35.3
270.77185	4.8
313.27338	100.0
331.28595	5.6
347.17221	15.1
347.67358	5.0
437.26678	8.2
480.03122	5.6
493.32977	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	493.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01867	1.5
55.05516	7.0
57.03436	2.8
57.07069	1.5
61.02929	4.1
64.24291	1.1
65.03951	1.4
67.05508	26.9
69.03429	2.4
69.07073	11.9
70.06596	2.2
71.04981	3.0
71.58736	1.7
72.04509	4.7
73.02897	1.3
79.05496	21.3
81.03430	5.7
81.07056	41.1
83.04982	2.9
83.08619	7.1
85.02901	6.6
85.06550	2.1
91.03958	1.7
91.05485	14.8
93.07051	31.5
95.04975	5.0
95.08616	10.1
97.02891	3.7
97.06541	5.2
97.10157	2.6
98.09698	1.1
99.08106	2.8
102.05539	1.8
103.05478	1.1
105.07037	7.7
107.04968	3.4
107.08600	19.1
109.02889	1.3
109.06512	3.1
109.10159	4.6
111.04501	1.6
111.08092	2.8
117.03393	3.1
117.07019	6.3
118.03672	2.1
119.04922	1.6
119.08593	4.6
120.08128	1.3
121.02882	2.4
121.06470	2.6
121.10156	13.2
122.03663	1.2
123.04436	1.4
123.08082	1.4
123.11710	11.3
125.05973	1.1
125.09638	2.4
127.03911	1.2
129.07040	1.8
131.04950	2.8
131.08588	5.4
133.06490	1.3
133.10120	9.2
135.04454	1.3
135.08064	2.2
135.11703	7.4
137.05989	19.5
139.07446	1.1
139.11185	2.1
141.07082	1.3
145.02844	9.1
145.10110	2.4
146.03238	3.3
147.04388	1.2
147.11714	2.5
149.05986	1.2
149.09586	1.2
149.12134	0.9
149.13266	24.3
151.07608	3.6
151.11154	1.6
154.08630	42.8
155.08986	18.1
158.09515	1.1
159.11703	14.0
161.05966	2.2
161.09702	1.4
163.07544	6.4
163.11221	1.5
165.09103	2.2
167.07083	3.4
169.10112	1.2
175.07515	1.0
177.05469	21.7
177.12749	5.6
178.05800	8.2
186.12868	1.4
187.11208	1.4
193.08450	1.2
193.12273	1.8
195.13803	20.2
204.13869	2.8
213.14909	1.9
222.14893	6.7
226.81300	1.1
240.15953	34.7
247.13396	1.3
263.06815	1.3
269.17468	8.5
287.12726	2.3
296.18573	100.0
301.02957	1.1
314.19608	16.5
316.05811	3.3
330.10956	1.0
331.08173	9.9
343.15436	2.0
347.07520	2.0
442.51727	1.3
458.23856	1.7
475.26917	3.9
493.22073	1.0
493.28265	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	493.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89382	0.4
51.51704	0.4
51.68555	0.4
52.65018	0.4
53.03949	0.5
55.01888	0.6
55.05518	2.7
57.03448	1.3
57.27215	0.4
60.44323	0.4
67.05510	4.6
69.03438	1.8
69.07076	1.8
69.97730	0.5
70.06593	0.9
70.78393	1.0
70.78757	1.0
71.05006	1.0
73.02927	1.1
79.05501	3.9
81.03426	3.6
81.07063	4.2
83.05006	1.2
83.08638	2.0
85.02927	1.4
85.06588	0.9
88.37238	0.5
91.05477	3.8
93.07057	3.8
95.04990	2.1
95.08617	2.7
97.02920	0.9
97.06553	1.3
97.10188	1.5
98.09740	1.0
105.07014	2.2
107.04974	1.8
107.08598	2.2
109.02859	0.5
109.06562	1.0
109.10188	1.9
111.04487	1.5
111.08073	0.7
114.09220	0.6
117.07028	1.1
119.05006	0.6
119.08601	1.9
119.89638	0.4
121.02893	1.7
121.06547	0.7
121.10193	2.1
123.04445	1.3
123.08119	1.6
123.11758	0.6
125.09637	1.2
129.07030	0.7
131.04941	0.9
131.08604	1.3
133.06548	0.8
133.10178	1.3
135.08125	0.9
135.11731	1.4
137.05972	2.9
137.09657	1.1
139.11186	0.5
145.10162	1.1
147.04572	0.6
147.08047	0.9
147.11723	1.1
149.06065	0.6
149.09659	1.1
151.07591	1.3
151.11249	0.6
153.01814	0.6
153.09210	0.7
155.08850	0.5
157.10124	0.7
159.08041	0.6
159.11658	0.6
161.06067	0.9
163.07463	0.5
163.11215	1.9
165.09166	1.4
167.07045	0.5
177.05507	0.6
181.12309	0.6
182.15526	0.6
189.09282	0.5
191.10765	1.5
193.12329	1.4
203.10609	0.6
207.13937	0.5
208.38750	0.4
209.11998	0.7
211.13358	0.6
227.12770	1.3
229.14313	0.5
243.06258	0.9
247.13467	1.1
253.12288	0.5
257.04584	0.7
267.16037	0.7
269.17648	0.8
273.09644	1.6
275.05533	1.1
283.15451	1.1
285.04132	1.4
296.18762	0.7
300.02780	3.0
300.05978	0.6
301.03589	1.1
303.05066	1.8
315.05109	0.6
316.05875	1.6
331.04605	7.7
331.08282	3.1
331.11813	2.2
343.07211	0.5
345.05994	2.6
346.06857	6.4
346.10767	0.6
355.22556	0.5
361.09195	26.0
362.09720	1.1
383.22385	1.6
401.23489	1.2
419.24167	0.8
433.52740	0.5
469.19537	0.5
475.27039	3.8
493.16989	100.0
493.27484	8.0
494.17545	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89169	6.5
56.96549	8.4
61.02916	7.6
69.03430	17.1
70.06603	36.3
71.02788	13.4
72.08152	8.9
73.02901	6.9
73.09412	6.5
74.06060	8.4
74.72373	7.1
85.02915	67.0
91.05442	8.7
94.25085	7.9
97.02898	24.9
98.09706	32.8
98.97614	8.4
109.02896	12.7
116.98615	13.0
119.04951	10.0
123.04440	18.9
127.03921	21.1
132.04449	69.0
133.01764	7.2
133.04834	12.9
139.03891	11.7
145.04955	14.3
147.04393	24.4
150.31133	9.3
151.03926	30.2
157.14445	14.2
163.03905	17.0
165.05469	15.2
169.04968	30.7
175.03966	12.3
181.05008	64.7
185.36194	7.2
189.05467	12.4
193.04962	96.8
196.45439	7.5
205.04987	14.3
207.06523	24.5
211.06039	100.0
217.04956	7.2
229.05098	18.9
235.05989	91.8
247.06049	62.4
259.06058	48.2
265.07104	11.2
277.07114	31.7
295.08420	38.2
295.10947	7.1
313.09143	32.1
331.10229	13.7
375.11215	9.1
449.25012	10.5
493.16589	7.1
493.24005	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	493.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79358	0.6
55.01882	0.8
55.05494	2.2
56.96563	1.2
57.03419	1.2
57.07072	0.6
61.02915	0.7
64.19229	0.5
67.05497	4.1
69.03431	2.9
69.07066	1.3
70.06572	1.3
70.86303	0.7
70.86650	1.7
71.04975	1.2
72.08184	0.6
73.02909	1.2
79.05482	2.7
81.03413	4.3
81.07063	4.8
82.10750	0.6
83.04959	1.2
83.08630	1.5
85.02899	4.8
91.05479	4.3
91.91996	0.6
93.07043	3.7
95.04969	2.8
95.08594	2.8
97.02877	1.7
97.10169	1.0
98.97598	1.0
99.04448	0.7
105.07018	2.7
107.04927	1.8
107.08587	2.4
109.02856	1.2
109.06511	0.7
109.10137	2.8
111.04466	1.0
114.10291	1.0
117.07025	0.7
119.04931	1.9
119.08559	2.1
121.02886	1.2
121.06498	0.7
121.10139	2.4
123.08079	0.7
123.11732	1.3
125.09600	1.4
127.03929	1.4
129.06979	1.2
131.04950	1.3
131.08580	0.7
133.02979	0.6
133.10143	0.9
135.08046	0.8
135.11690	1.3
137.05988	6.8
137.09575	1.3
140.04666	0.7
145.02866	1.0
147.04391	6.8
149.05962	0.8
149.09564	0.6
149.13248	0.8
151.03815	1.3
151.07558	2.4
153.01833	4.8
153.05458	1.1
154.08583	3.1
155.08943	1.1
157.10135	0.8
159.82585	0.6
161.05980	1.1
161.09836	0.8
163.07529	1.9
163.11214	1.5
164.04666	2.6
165.05431	1.1
165.09102	7.5
167.02168	0.8
167.03360	4.0
167.07100	2.9
167.08290	0.6
175.07538	0.9
177.05472	4.0
177.16228	0.8
179.03430	1.1
181.04967	0.7
189.09079	0.9
191.10655	0.7
192.04166	2.0
193.12233	0.9
194.05707	0.8
217.04884	0.7
227.12726	0.7
228.60095	0.6
231.06425	0.9
243.06502	1.7
245.04440	1.2
251.14438	0.7
257.04541	0.8
259.06018	1.1
260.02832	0.7
269.04214	0.9
271.06003	1.8
273.03827	0.8
275.05490	2.6
281.15170	3.9
285.03897	1.7
287.05576	1.9
287.12851	0.8
288.06274	2.3
299.02130	0.8
299.05475	2.6
300.02521	4.7
300.05725	0.9
301.03387	1.0
301.06830	1.1
303.04935	3.4
313.03345	0.8
315.05161	3.9
316.05743	8.8
327.05243	1.0
331.04492	5.4
331.08099	55.7
332.08658	0.8
345.06213	3.6
346.06812	39.3
347.07535	1.5
361.09177	100.0
362.09396	1.3
383.22281	1.0
401.23251	1.4
475.26901	2.1
493.28815	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	493.1344
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
50.16727	0.8
53.03946	0.8
55.01855	1.3
55.05515	2.8
56.98599	0.8
57.03437	1.9
66.03709	0.7
67.05505	6.9
69.03429	2.8
69.07075	3.4
69.47322	7.5
70.06593	1.2
73.02914	1.2
74.12637	1.0
79.05497	3.4
81.03417	6.6
81.07060	6.8
83.04974	1.3
83.08617	1.8
85.02915	3.5
91.05485	5.6
93.07071	5.0
95.04975	3.8
95.08611	5.8
97.02901	2.2
97.06534	0.9
97.10168	1.9
98.20837	1.3
99.04452	1.2
105.07025	2.5
107.04967	1.6
107.08600	4.3
109.06508	1.6
109.10168	3.8
110.03652	1.0
111.04445	1.1
117.07008	1.3
119.08578	3.3
120.08054	1.1
121.02856	1.9
121.06504	1.2
121.10148	3.2
123.04424	1.3
123.08109	1.0
123.11750	1.0
125.05991	1.4
127.04018	0.8
129.07021	1.2
129.29822	0.9
131.08598	2.0
133.06474	1.6
133.10162	1.5
135.08113	1.0
135.11737	2.2
137.02368	2.3
137.06009	3.8
139.11134	0.9
143.08620	1.3
145.10133	1.7
147.04414	1.0
147.11673	1.6
149.09579	2.0
149.70187	0.9
151.03972	0.8
161.09637	0.9
163.07547	1.3
163.11212	2.7
165.09145	0.9
167.06993	1.7
172.26930	0.8
173.06081	0.8
175.11310	0.9
179.55499	0.8
181.12135	1.1
193.12318	2.0
207.02837	0.9
209.11748	1.5
210.67484	0.8
211.13228	0.9
227.12746	4.7
242.05721	1.6
245.04526	2.0
259.05981	1.8
267.15997	4.4
271.05917	1.5
273.04004	7.1
283.15500	1.6
287.05545	5.6
288.06281	3.9
299.05582	0.9
315.05066	11.3
316.05786	61.6
317.06329	1.1
331.08133	100.0
332.08481	2.1
401.23401	1.5
475.27252	4.7
493.13394	44.6
493.24246	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	493.1343
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
53.03937	0.2
57.03413	0.2
61.02896	0.5
69.03432	1.0
69.27592	0.3
69.27995	1.4
70.03391	0.1
73.02894	0.2
79.05463	0.3
81.03381	0.6
81.07026	0.3
85.02438	0.2
85.02907	2.8
87.04449	0.3
91.03928	0.2
91.05439	0.2
95.01334	0.3
97.02861	0.7
98.21516	0.3
99.04402	0.2
107.04994	0.1
109.02863	0.4
110.03625	0.7
111.04394	0.2
121.02832	0.3
127.03860	0.5
137.01309	0.3
137.02319	1.9
145.04939	0.2
151.03835	0.3
154.31464	0.2
167.03423	1.0
167.07068	0.2
179.03368	0.2
207.02888	0.6
214.06258	0.6
215.07126	0.2
227.03333	0.2
229.04935	0.3
231.06464	0.3
242.05733	2.1
243.06474	0.8
245.04361	1.0
257.04477	0.4
259.06073	1.4
260.06738	0.2
270.05188	0.8
271.05890	1.2
273.03922	6.2
285.03909	0.2
286.04642	0.7
287.05493	4.8
288.06259	3.9
299.05463	0.8
301.03363	0.3
303.08566	0.2
315.02036	0.1
315.04980	10.8
316.05780	55.9
317.06183	0.9
327.05063	0.3
329.06570	0.4
330.07361	0.3
331.08118	100.0
332.08499	1.6
373.09280	1.0
475.27060	0.3
493.13419	45.4
494.13644	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	493.1342
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
51.81122	0.2
60.70540	0.2
63.28138	0.2
71.11687	0.4
71.12016	0.2
85.02913	0.3
121.02881	0.3
137.05890	0.3
151.03932	0.5
153.01799	0.9
160.28680	0.3
217.04898	0.8
228.04141	0.6
229.05038	0.4
245.04498	3.1
257.04437	0.4
258.05075	0.3
259.06003	0.3
269.04514	0.3
271.06018	0.5
273.03967	3.6
285.03983	0.6
287.05533	1.5
288.06308	1.6
297.04257	0.3
299.05600	0.7
300.02621	0.3
301.03442	8.9
302.03998	0.3
315.04990	9.5
316.05789	40.9
317.06125	0.9
331.08130	100.0
332.08469	1.4
347.07568	1.0
463.13956	0.4
493.13791	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	493.1342
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
57.03420	0.4
61.02909	0.6
64.78098	0.2
69.03396	1.0
70.20785	1.1
73.02890	0.3
79.13575	0.2
81.03384	0.6
81.17622	0.2
85.02908	4.2
85.90059	0.2
86.09715	0.4
86.67399	0.2
87.04413	0.3
91.03944	0.3
97.02905	1.1
99.04427	0.3
106.15237	0.2
109.02848	0.6
110.03642	0.3
115.85336	0.2
119.04878	0.3
121.02814	0.3
124.05200	0.2
127.03887	0.7
128.37451	0.2
137.02342	1.0
137.03374	0.2
137.05956	0.9
139.46648	0.3
145.04863	0.4
147.04378	0.8
151.03888	0.8
151.07523	0.3
153.01791	0.8
167.03340	0.4
179.03342	0.6
217.04961	0.9
228.04216	0.3
229.04918	0.3
242.05710	0.8
243.06570	0.4
245.04491	3.0
257.04498	0.4
258.05368	0.3
259.05957	0.5
269.04416	0.3
270.05124	0.3
271.05948	0.8
272.47778	0.2
273.03955	4.3
285.03830	0.7
286.04730	0.3
287.05481	2.6
288.06357	2.6
299.05649	0.7
301.03448	5.4
302.04141	0.9
315.04993	8.8
315.08655	0.5
316.05789	42.4
317.06555	5.6
331.08127	100.0
332.08557	1.2
493.26117	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	493.134
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03949	0.4
67.05492	0.6
69.03424	0.9
69.07079	0.4
69.55689	2.8
70.06595	0.8
72.08149	0.3
79.05496	0.5
81.03411	0.7
85.02906	0.8
91.05465	1.5
93.07076	0.5
95.04945	0.5
97.02892	0.5
97.06534	0.5
98.09696	0.8
98.21506	0.5
99.88377	0.3
105.06996	0.4
107.04967	0.7
107.08559	0.6
109.06487	0.4
114.10303	0.4
115.05394	0.5
119.04916	0.8
121.06527	0.4
121.10145	0.4
122.03655	0.8
127.03912	0.6
131.04921	0.5
133.10114	0.7
137.02341	0.5
137.05986	8.8
142.58737	0.3
145.02838	0.4
147.04420	1.5
151.07544	2.7
162.32605	0.4
163.07576	1.3
166.01665	0.4
167.07039	0.4
175.07556	0.5
177.05446	0.8
178.02623	0.5
179.03442	0.8
195.08206	0.5
227.10687	0.6
239.21902	0.4
242.05734	1.6
255.10242	0.5
258.05270	1.4
270.05258	6.4
273.03876	1.0
283.05270	0.5
285.11368	0.7
286.04816	1.0
287.05490	3.1
287.12793	1.3
299.05627	0.8
301.03482	2.1
302.04199	2.4
313.03705	0.5
315.04999	29.7
316.05841	3.3
317.06525	0.5
331.08136	100.0
332.08472	1.5
475.71210	0.4
493.13370	1.1
493.29947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0978
Annotation	6-Methoxykaempferol 3-glucuronide
Peak:m/z	Relative Intensity
50.74185	0.1
55.05502	0.2
57.03440	1.1
57.16446	0.1
67.01836	0.2
67.05463	0.2
68.99781	0.2
69.03430	0.7
69.07047	0.2
70.06573	0.2
70.93974	0.4
71.01354	2.1
72.08125	0.3
73.02917	3.7
74.74182	0.1
75.04450	0.5
79.05463	0.2
81.03392	0.3
81.07024	0.4
83.01337	0.2
85.02906	9.3
86.09674	0.2
91.05512	0.2
92.02625	0.7
93.03402	1.0
95.01332	1.6
95.04958	0.1
95.08593	0.3
97.02865	0.6
97.06483	0.2
98.97545	0.1
99.00801	0.7
101.02343	0.5
103.03905	0.6
107.08559	0.2
109.10171	0.3
111.00774	0.1
113.02368	3.5
116.98538	0.1
117.01840	0.2
119.04956	0.3
121.02861	0.9
123.11748	0.2
126.03096	0.6
126.27758	0.1
127.03889	0.2
131.02466	0.2
131.03387	2.8
133.10152	0.2
137.02303	0.3
137.06010	0.6
139.03891	1.0
141.01846	2.1
147.04428	1.1
151.02850	0.1
151.03870	0.8
153.01833	6.3
159.01930	0.1
159.02911	1.6
163.03908	0.2
165.01788	0.7
177.05545	0.3
183.02863	0.3
190.06380	0.2
194.12451	0.1
195.06430	0.1
200.04623	0.2
201.05507	0.7
203.03369	0.5
207.06392	0.2
217.04919	0.7
218.05722	0.5
219.02879	0.4
221.83679	0.1
222.68819	0.1
222.88611	0.1
228.04181	1.2
229.04944	3.2
231.02843	0.5
243.06441	0.2
243.08839	0.2
245.04512	1.2
246.05254	1.9
256.03662	0.2
257.04471	2.3
260.03140	0.4
261.07532	0.2
271.06052	0.3
273.03915	1.7
274.04730	3.5
278.88852	0.1
284.03162	0.5
285.03940	4.3
286.04660	0.3
287.05615	0.3
288.06113	0.3
290.15607	0.3
291.62137	0.1
302.04211	11.9
303.04630	0.4
313.75418	0.1
316.05740	0.2
317.06555	100.0
318.06918	2.9
331.20935	2.0
340.05530	0.1
347.07495	0.3
382.38458	0.1
493.26187	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	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
53.16989	0.5
55.01871	0.9
55.05520	5.1
57.03427	2.4
57.07064	1.0
62.06085	0.6
65.03930	0.6
67.05173	1.1
67.05505	16.1
68.08559	0.5
69.03423	0.7
69.07067	5.5
69.30294	1.2
69.30702	5.0
71.04992	1.1
71.08631	20.6
75.31953	0.6
75.47678	0.5
79.05491	13.1
81.03425	2.8
81.07059	19.3
81.22141	0.6
82.07368	0.5
83.04975	4.5
83.08609	4.5
85.02898	0.7
85.06543	0.8
91.04970	0.7
91.05490	10.6
93.07047	18.6
95.04973	4.5
95.08045	1.1
95.08611	12.5
97.06530	3.6
97.10162	1.9
98.20779	1.2
98.98459	0.6
99.07487	0.8
99.08096	12.7
105.07031	7.5
107.04962	2.9
107.08597	11.1
109.06499	1.6
109.10159	5.0
111.08054	1.7
113.09624	1.0
117.07005	2.5
119.08591	6.4
121.06502	0.6
121.10145	9.7
123.08047	0.8
123.11684	1.0
129.06970	1.4
131.08569	1.9
133.10130	6.5
135.08025	0.8
135.11696	12.2
137.09604	1.0
141.09084	1.4
143.08545	1.5
145.10089	1.4
147.11676	2.0
149.13243	3.0
151.11197	8.7
153.12747	1.0
157.10106	1.1
159.11719	1.3
161.13260	5.2
163.11134	3.1
163.14772	0.7
165.12727	0.7
167.10727	0.9
171.11710	0.6
177.12697	0.8
179.14317	32.5
185.13286	0.9
189.12717	0.6
195.13991	0.8
198.05272	0.8
216.06355	1.2
221.15390	0.7
223.17578	0.6
235.16986	0.9
259.20721	1.0
277.21625	20.1
289.50467	0.6
295.22476	0.8
320.25903	1.9
351.25299	100.0
352.25592	2.0
431.22021	3.2
474.29504	0.7
492.28015	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.6
55.01894	0.5
55.05521	1.0
56.96564	1.0
69.03429	78.0
69.07079	0.8
70.06594	0.8
70.20824	2.2
71.04994	9.6
73.02938	0.5
74.06077	1.0
76.02229	1.2
81.03407	0.6
81.07082	0.6
83.04990	1.9
83.08589	0.8
85.02908	2.2
87.04463	0.8
91.05495	1.4
93.07036	0.5
95.04972	0.6
97.02908	1.3
98.97602	2.0
105.07043	1.1
107.08603	1.4
109.02896	0.6
109.06487	0.6
115.03936	0.6
116.07091	0.7
116.98631	1.7
121.10139	3.9
122.02753	1.0
123.96697	0.5
126.82596	0.5
127.03902	0.8
134.99706	0.8
135.08057	100.0
136.08389	1.0
137.06003	1.2
137.09608	0.5
167.07048	0.7
173.13309	1.0
176.03397	3.3
177.00858	0.5
180.71492	0.5
189.09114	0.5
191.14313	93.8
192.14844	0.7
197.11899	0.5
236.36154	0.5
237.02779	1.7
270.14389	0.5
288.15424	0.6
293.08981	1.0
294.09238	0.8
296.12274	0.6
312.15933	1.2
317.06485	1.4
330.16794	0.6
338.08701	0.7
431.19403	1.1
432.19943	6.0
450.20709	2.0
492.15482	0.6
492.21909	1.9
492.32507	0.7
514.43451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05515	1.3
57.07071	2.0
58.99599	1.6
60.04502	2.3
61.02919	1.7
67.05498	2.2
69.03429	39.8
69.07066	2.1
70.06590	3.1
70.58630	3.2
71.04983	2.1
72.08134	0.8
72.88223	1.0
73.02889	1.0
73.41275	0.7
76.02220	3.9
79.05485	1.6
81.03417	2.1
81.07047	4.1
83.04985	2.6
85.02912	10.6
85.06525	1.1
91.05474	3.7
93.07029	3.6
95.04950	0.9
95.08635	6.3
97.02891	3.7
97.06528	2.4
98.09627	1.1
98.20692	0.8
99.04452	1.3
105.00077	1.2
105.07018	3.1
107.04930	1.5
107.08582	8.9
109.02875	1.4
109.06484	4.2
109.10152	2.4
111.08094	2.6
116.07037	0.9
119.08591	3.6
121.06483	1.9
121.10148	10.7
122.02734	21.7
123.08089	2.2
123.11674	6.1
125.09641	15.4
127.03905	3.6
131.08563	3.5
132.08067	1.2
133.06461	1.2
133.10120	3.5
135.08052	15.7
135.11714	3.9
137.02347	1.1
137.13232	0.9
145.04956	2.1
145.10104	2.4
147.11635	2.3
149.09630	6.5
149.13263	2.5
150.09149	2.2
151.11218	1.5
152.07104	0.9
153.09137	5.6
158.10909	2.1
163.11078	1.2
163.14789	3.5
165.12807	1.9
167.10667	2.3
173.13275	13.1
180.10167	0.9
191.14313	70.9
192.14658	1.2
193.16022	1.0
195.87630	1.1
209.15372	100.0
223.11484	4.6
241.12553	4.0
317.25586	1.0
330.10458	0.9
330.17300	11.6
440.28207	1.0
493.16644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.96574	0.7
57.03436	2.6
61.02914	1.2
66.04731	0.5
67.05482	1.1
69.03429	1.1
69.07067	0.6
69.92331	2.2
69.92739	1.0
70.06612	0.6
73.02917	4.6
79.05457	1.1
81.03396	1.1
81.07048	1.0
83.04953	0.5
85.02901	2.2
91.05481	2.1
95.04943	0.5
95.08598	0.6
97.02896	0.9
97.06516	0.9
98.97588	1.0
99.04443	0.7
103.05483	0.8
105.07034	1.0
107.04966	1.3
112.82420	0.6
117.03406	3.0
117.06978	0.8
119.04974	0.8
121.02853	0.6
121.06441	0.7
123.04456	0.9
124.07587	1.2
125.09618	0.5
129.07008	0.8
131.04918	2.2
133.06476	0.8
133.10141	1.0
135.04425	0.9
136.07564	0.7
137.05974	10.6
138.06670	1.2
145.02856	3.2
146.03604	0.7
147.04382	1.7
149.05971	1.8
150.06718	1.2
151.03917	1.4
151.07556	1.5
151.86243	0.5
152.06198	0.8
157.06508	0.5
160.05202	0.5
161.05988	9.9
161.07259	0.9
161.09616	2.2
162.06770	3.7
163.03929	0.6
163.07516	1.9
164.08296	1.0
165.07033	2.2
166.07790	0.7
167.08546	1.4
169.08589	0.9
174.06781	1.3
175.07558	1.2
177.05481	6.8
177.06870	0.9
177.09128	1.9
178.00467	0.5
178.07782	2.6
179.08556	1.2
181.05005	1.0
181.06526	0.6
181.08640	1.1
182.07076	0.8
183.08003	1.0
189.09146	3.4
190.07838	0.6
191.08597	1.6
192.09303	0.7
193.06514	1.2
193.10155	1.8
194.07300	2.2
195.08054	4.0
196.58957	0.5
197.06010	0.8
197.09506	0.7
199.97574	0.6
201.05305	0.6
203.06726	0.6
203.08604	1.3
205.06462	1.9
206.07269	2.3
206.09206	0.8
207.08054	2.2
207.10188	7.9
208.08852	0.9
209.05972	0.7
209.09747	0.8
210.06760	1.3
211.07535	1.7
218.07170	0.6
219.08063	1.9
220.08820	3.3
221.05984	2.4
221.09572	3.7
222.06761	1.7
223.07520	5.5
224.08302	0.8
225.05545	0.6
225.09126	4.4
227.10692	0.9
231.07925	1.2
231.41591	0.6
233.05998	1.0
234.06766	1.4
235.07581	2.1
236.08366	0.8
237.05402	1.1
237.09169	3.5
238.06215	1.3
238.09877	3.5
239.07088	2.2
239.10799	0.7
240.07820	2.5
243.10135	0.5
246.13014	1.2
247.07568	0.7
248.08336	4.8
249.05353	0.7
249.09128	3.5
250.06317	1.4
250.09898	0.5
251.07086	2.4
251.10629	0.7
252.07829	1.6
253.08580	6.6
254.09235	1.1
255.10193	2.4
263.10718	1.2
264.07654	0.8
265.08600	5.9
266.09412	8.9
267.06815	0.7
267.10165	2.2
268.07333	2.2
269.07932	0.7
269.11780	0.6
271.10513	0.9
277.08563	2.0
277.16937	0.5
278.09302	0.7
279.07016	0.5
279.10168	1.1
280.10715	0.9
281.08093	4.7
281.11719	2.4
282.08881	1.0
282.12576	0.9
283.09601	6.6
283.12823	1.0
285.11166	1.7
286.12024	3.8
291.10068	1.1
292.11047	0.7
293.11615	0.7
294.08914	1.4
295.09705	1.0
296.10205	0.7
297.11206	3.5
298.11990	3.8
299.12778	1.7
309.11255	5.2
310.11969	11.3
311.12726	6.1
315.04849	0.7
326.11450	0.6
327.12286	43.2
328.12567	0.7
329.13718	3.4
330.14636	15.5
331.08249	2.7
341.13861	3.4
342.14630	100.0
343.15140	2.1
371.15173	0.5
372.08276	0.6
417.12021	0.7
432.39487	0.6
492.19769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3009
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03956	6.2
55.01875	7.1
55.05516	20.8
56.27287	2.3
57.03439	4.7
59.04985	2.6
65.03933	3.7
67.05506	34.6
69.03433	3.6
69.07077	13.3
69.42919	21.2
70.06588	2.4
71.05001	13.0
79.05492	42.2
81.03421	11.4
81.07059	44.4
83.04998	9.1
83.08631	13.2
85.02927	3.6
85.06554	4.1
91.05493	31.4
93.07052	44.5
95.04975	23.1
95.08613	23.5
97.06543	6.3
97.10182	14.8
103.05480	2.6
103.56242	2.3
105.07033	22.9
107.04964	41.8
107.08601	20.9
109.02874	4.3
109.06534	20.9
109.10183	13.3
109.10818	2.3
111.08100	5.4
117.07017	15.2
119.04956	3.0
119.08575	12.4
121.06516	27.8
121.10146	23.2
123.04473	3.3
123.08088	5.7
123.11742	5.3
125.06007	3.0
125.09638	12.7
128.06281	3.3
129.07059	8.8
131.04971	7.9
131.08582	17.9
133.06552	7.3
133.10167	9.9
135.08051	11.4
135.11676	3.1
137.06013	7.4
137.09605	3.2
139.07555	3.1
139.11226	4.2
141.06934	2.5
143.08600	6.6
145.06471	11.1
145.10179	8.6
147.08087	7.4
147.11763	4.8
149.09662	8.4
149.49660	2.1
151.07565	5.0
153.09146	4.8
155.08612	3.4
157.10143	5.7
159.08102	4.3
159.11768	6.2
161.06097	4.0
161.09682	3.3
161.13258	2.2
163.11247	6.4
165.09172	3.5
167.07109	8.2
167.08591	4.3
167.10760	3.5
169.10138	3.8
171.08124	3.1
171.11783	4.7
173.09665	3.5
173.13280	4.5
175.11243	3.4
187.15027	2.2
189.11276	7.1
191.14455	2.8
193.12331	4.7
195.11726	3.5
199.11424	3.5
199.13399	6.6
211.11308	3.1
213.12918	2.7
219.13834	13.5
223.11411	3.1
231.13913	3.1
233.15436	3.5
237.12880	3.3
249.14993	6.5
273.15030	5.6
275.16519	8.7
285.10483	2.8
339.23410	5.1
349.21759	7.1
357.24399	6.1
360.25473	2.3
367.22629	26.2
385.23746	35.4
403.25015	5.6
431.19162	2.8
441.26578	6.3
459.27469	100.0
460.27887	2.8
473.29395	6.9
491.19107	3.8
491.30289	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01873	1.3
57.03436	1.9
61.02927	5.0
69.03430	8.4
71.05014	0.6
71.14836	0.6
71.15162	0.6
73.02905	1.8
79.40264	0.5
81.03410	3.7
85.02907	56.0
87.04446	1.0
91.03961	3.1
94.31469	0.5
95.04967	1.5
97.02896	13.4
99.04462	2.6
103.10121	0.4
104.05003	0.7
109.02874	4.9
115.03934	0.5
123.04424	5.5
127.02974	0.9
127.03917	15.6
132.04454	100.0
133.04770	0.9
145.04961	31.5
163.06021	16.7
180.08688	0.8
184.75615	0.5
289.09125	0.7
290.09305	0.4
294.09686	1.1
312.10513	0.5
325.11334	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	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.9
55.01872	14.8
55.05510	61.5
55.61807	3.4
56.96561	3.2
57.03424	8.3
59.05006	3.8
67.05505	45.0
67.90481	3.3
69.03425	9.8
69.07056	18.1
69.89352	3.5
70.06626	3.8
71.04988	8.6
79.05500	46.5
81.03421	18.8
81.07050	51.0
83.04982	13.2
83.08620	42.4
85.02881	4.2
85.06548	6.2
91.05473	28.6
93.07050	36.8
95.04984	17.6
95.08623	23.8
97.02879	4.2
97.06506	5.9
97.10176	72.7
100.15968	3.3
103.05471	3.6
105.07062	23.7
107.04955	35.2
107.08591	33.7
109.02890	9.4
109.06532	17.1
109.10170	12.7
111.08064	6.4
117.07015	15.5
119.08598	11.4
121.02863	4.5
121.06511	25.1
121.10159	17.7
123.08104	7.1
123.11707	5.3
125.09628	60.0
129.07004	7.5
131.04924	5.4
131.08569	14.2
133.06519	8.6
133.10103	10.0
135.08064	13.0
135.11650	7.3
137.05995	6.3
143.08536	4.9
145.06483	9.5
145.10118	7.5
147.04530	4.1
147.08047	6.2
147.11659	5.2
149.02368	3.6
149.09671	5.7
151.07538	4.5
153.09125	5.2
157.10144	8.1
159.08047	6.8
161.05992	4.4
161.09651	9.9
163.11189	7.5
165.09015	4.4
167.07057	8.7
167.08542	3.7
171.10159	4.2
171.11638	4.3
173.13272	7.4
175.11176	5.6
180.23711	3.7
181.04980	3.5
183.11630	4.0
189.09251	5.9
189.11208	43.8
191.14319	11.0
193.12273	5.4
199.11322	3.8
217.12123	3.6
219.13809	56.7
225.11195	5.6
227.12756	27.1
263.12753	8.5
275.16415	5.9
277.05579	3.4
281.14038	4.2
286.04712	9.9
301.07022	19.8
339.23038	3.9
353.21341	7.6
367.22681	10.1
371.22250	13.2
378.95483	3.3
381.20334	4.4
385.23660	15.8
389.23196	12.0
399.21539	9.5
403.24762	4.0
407.23956	5.0
408.97894	3.4
417.22656	5.8
445.25900	22.3
447.32980	4.5
459.27390	35.6
463.27023	15.7
473.24988	16.4
491.25507	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01867	1.2
56.96566	0.6
57.03433	1.7
61.02928	4.2
67.05500	0.6
69.03126	0.6
69.03429	6.3
70.06567	0.7
70.83288	1.3
70.83649	0.6
71.04977	1.0
71.99023	0.5
73.02916	1.4
81.03422	3.2
83.01360	0.5
85.02908	39.5
86.03268	0.6
87.04459	0.9
91.03970	3.4
95.04977	4.0
97.02895	11.2
98.97570	1.9
99.04449	1.7
104.05032	0.6
109.02883	2.9
111.04424	0.6
116.98626	1.3
118.04213	0.5
119.01991	0.4
120.08085	1.1
123.04431	15.7
127.03918	11.6
127.04807	1.0
132.04456	100.0
133.04790	1.8
137.05949	0.8
139.03882	1.1
145.04961	23.9
146.99683	0.7
147.04437	0.6
148.03897	1.5
158.99695	0.8
161.04633	0.9
163.06020	8.5
172.67563	0.6
176.98413	0.5
177.00737	1.0
177.05515	0.5
180.08684	1.5
219.01752	1.5
237.02841	1.7
271.08203	0.7
289.09503	0.6
316.09933	1.4
321.08548	1.0
325.11172	1.6
383.04153	0.8
389.07739	0.5
474.95383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01865	3.2
55.05508	8.4
57.03429	2.1
57.42616	1.0
61.02921	1.8
67.05170	1.8
67.05505	20.1
69.03422	4.9
69.06757	1.1
69.07068	10.1
70.06581	1.1
71.04992	2.7
71.25181	1.8
73.02904	1.1
79.05495	12.8
81.03429	5.4
81.07058	44.1
83.04971	3.1
83.08636	6.3
85.02898	14.8
91.05481	14.3
93.07046	15.2
95.04979	6.8
95.08614	13.6
97.02892	4.6
97.06510	4.3
97.10151	2.4
99.04460	1.3
99.08097	2.1
104.09492	1.1
105.07024	14.4
107.04945	5.9
107.08595	9.7
109.02900	1.8
109.06516	15.5
109.10146	6.4
111.08041	2.3
117.07028	5.4
119.08574	11.9
121.06514	2.5
121.10151	7.3
123.08063	5.8
123.11714	3.5
125.09574	2.0
127.03934	2.7
129.06961	1.9
131.08559	8.3
133.06502	2.2
133.10133	11.2
135.08031	3.5
135.11662	5.0
137.09590	3.7
137.13255	1.5
143.03589	1.0
143.08565	2.1
145.04990	2.2
145.10143	9.3
147.08061	1.7
147.11696	10.9
149.09615	6.9
149.13269	3.8
151.11156	3.3
157.10146	3.1
159.11716	5.8
161.09653	1.7
161.13248	1.8
163.11191	6.0
163.14801	1.8
165.12743	4.0
167.07048	1.1
173.13248	3.7
175.11163	2.9
177.12721	2.5
180.08739	5.1
183.11699	1.5
187.11296	1.1
193.12260	2.1
211.13284	1.1
223.13271	1.2
229.14459	1.7
229.19577	1.2
239.17892	2.9
247.20581	2.2
257.18997	7.0
275.20056	100.0
293.21112	86.7
293.23685	1.4
339.80579	1.1
392.24689	1.9
437.25626	1.6
491.22607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13209	0.2
55.01867	0.3
55.80183	0.2
57.03431	0.4
57.07077	20.4
59.04989	0.6
61.02927	0.5
65.03932	0.4
67.05492	0.2
69.03417	1.0
69.44055	0.6
69.44477	1.2
70.54527	0.2
71.04993	3.0
71.63438	0.2
73.02935	0.3
75.48492	0.2
79.55895	0.2
81.03411	0.5
81.07038	0.3
85.02908	4.2
87.46325	0.2
89.06030	2.6
97.02872	1.2
99.04470	0.2
107.05017	0.2
109.02870	0.3
111.08084	0.2
121.02863	1.9
121.03967	0.3
123.18517	0.2
124.76041	0.2
127.03899	0.7
137.05943	0.2
145.04980	0.6
149.02342	100.0
150.02704	0.6
167.03452	2.2
190.05009	0.5
195.62675	0.2
205.08604	9.7
219.06650	1.0
223.09674	1.0
237.07579	2.0
243.59758	0.2
293.13824	27.4
294.14383	0.3
299.28183	0.2
311.14893	0.8
328.08859	0.4
329.06390	0.3
453.81592	0.2
455.19147	1.1
508.59476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39191	0.5
51.52349	0.4
53.03943	0.6
55.01880	2.4
55.05513	5.8
57.03238	0.4
57.03446	4.8
57.07084	0.9
57.83605	0.5
65.03944	0.7
67.05171	0.9
67.05507	13.3
69.03426	0.8
69.06486	0.5
69.07072	7.5
69.36510	4.6
71.04972	0.4
79.05492	8.3
81.03407	1.5
81.07059	14.0
83.04994	3.5
83.08626	2.3
85.02908	0.7
85.06557	1.1
87.38618	0.5
91.05482	11.1
93.07043	13.7
95.04980	4.1
95.08611	9.9
97.06538	2.7
97.10155	1.1
98.98465	1.4
105.07029	11.9
107.04966	4.7
107.08599	7.6
109.06518	5.1
109.10159	4.1
111.08083	1.0
112.66761	0.5
115.05487	0.5
117.07040	4.1
119.08586	7.2
121.06506	5.8
121.10123	4.8
123.08094	3.1
123.11686	1.5
125.09621	0.8
128.06267	0.6
129.06992	1.5
131.08585	8.6
133.06491	1.2
133.10132	8.2
133.27834	0.6
135.08041	2.4
135.11717	3.5
137.09616	1.2
141.06978	0.6
143.08557	1.8
145.06493	1.1
145.10118	6.6
147.08040	2.1
147.11694	7.5
149.09644	3.2
149.13300	1.5
151.11186	3.1
155.08575	0.8
157.10132	1.3
159.08041	1.4
159.11676	5.4
161.09644	1.9
161.13303	2.1
163.11183	3.5
163.14792	0.8
167.07111	0.6
169.10211	0.6
171.11673	1.3
173.09692	1.6
173.13278	3.6
175.11230	1.3
175.14841	0.7
177.12732	1.2
179.14404	0.6
181.04987	0.5
183.11613	1.2
184.07307	0.6
185.13258	0.5
186.98006	0.5
187.11191	1.4
187.14815	1.0
189.12761	0.8
191.14291	1.3
197.13237	1.1
201.12741	1.7
207.13791	1.6
213.16435	0.6
215.14186	0.8
215.17972	1.0
219.13773	1.8
229.19473	0.9
239.17998	1.3
247.20621	1.9
249.76617	0.5
257.19028	5.7
261.81491	0.4
275.20071	42.0
276.20386	1.3
293.21136	7.6
318.24185	0.7
349.23737	100.0
350.24112	3.5
381.16595	0.5
429.20413	2.0
490.18582	0.8
490.25873	1.7
491.25989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3579
Annotation	Uncargenin C
Peak:m/z	Relative Intensity
55.05513	37.4
55.88539	8.0
67.05508	77.9
68.40354	6.4
69.07075	57.2
69.27024	84.3
71.08648	8.0
72.08138	7.5
79.05504	47.9
81.03412	8.0
81.07059	83.4
83.08615	25.5
85.02917	10.4
85.06528	11.8
91.05479	51.1
93.07044	45.7
94.56918	7.7
95.04965	22.6
95.08612	54.3
97.10169	15.2
97.50183	6.9
101.42751	7.5
105.07047	47.3
107.04977	17.5
107.08613	32.3
109.06493	8.1
109.10163	31.8
114.10262	11.6
117.07047	18.9
119.08598	34.3
121.06544	14.7
121.10154	22.3
123.11703	10.3
125.09673	12.2
129.07034	21.3
131.08562	35.9
133.10127	31.9
133.22452	8.1
135.08017	8.3
135.11719	12.6
137.13261	8.4
143.08549	19.1
145.10156	27.4
147.08092	6.8
147.11705	11.2
149.13248	14.4
151.11169	10.4
155.08560	11.6
157.10223	7.3
159.11743	11.4
166.29216	7.5
169.10075	9.8
171.11647	10.4
175.14816	7.9
216.36668	8.3
217.19655	9.4
258.27609	8.0
279.23468	8.0
328.15680	6.9
380.42133	7.1
380.46997	7.1
384.59189	6.9
425.34232	9.5
435.32776	15.1
453.33896	40.4
471.34650	100.0
489.36151	84.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.1
56.96561	0.7
57.43348	0.8
61.02916	0.9
65.03932	0.9
67.05505	0.7
68.14240	0.5
69.03429	1.7
69.07062	0.7
69.44960	1.3
69.45364	4.0
70.04073	1.0
70.06561	1.6
71.05008	0.6
72.08147	0.7
73.06551	5.9
79.05489	1.2
81.03414	1.8
81.07059	1.4
81.76009	0.5
85.02895	3.4
86.09694	0.7
91.05478	3.3
93.07040	1.4
95.08608	1.3
97.02914	1.6
98.97608	0.7
106.62774	0.6
107.08596	0.9
109.02878	0.9
119.08559	0.7
121.02870	3.1
123.11617	0.6
131.04860	0.6
131.08586	1.1
135.11690	0.7
137.05968	1.1
145.04959	0.8
149.02348	100.0
150.02750	0.7
161.05989	1.3
163.03885	2.3
167.03415	2.3
175.07536	5.7
177.05510	0.9
181.05019	0.7
185.66414	0.6
203.07039	7.8
221.08115	13.7
240.16125	0.7
275.12747	1.6
293.13846	35.5
349.23718	0.6
490.14374	1.1
490.34235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.7
57.03424	10.4
57.83695	3.0
59.52948	2.9
61.02920	3.8
67.05502	4.5
67.13492	2.5
69.03438	7.2
69.89773	12.0
70.06594	4.7
71.04996	65.3
71.07551	3.0
73.02910	7.6
75.04465	5.3
81.03409	4.3
81.07063	7.9
81.48092	3.1
83.04968	8.1
85.02904	100.0
86.09699	4.7
87.04462	5.4
89.03902	5.1
91.05482	17.1
92.05820	3.9
93.07024	5.0
95.08579	7.0
97.02879	11.1
98.20840	5.5
105.07011	5.5
109.10159	7.2
111.04469	6.0
115.03931	4.0
117.03381	7.3
123.11716	5.4
124.05187	4.1
127.03938	7.0
129.05486	46.0
135.11636	4.6
137.05949	8.6
145.02843	17.9
145.05066	4.6
146.09630	6.3
147.04440	5.2
147.06511	17.7
149.02324	11.9
149.05984	4.3
160.11205	4.0
163.03922	6.8
164.09128	4.2
165.05370	3.2
165.09038	10.6
167.07060	19.5
177.05479	38.7
180.08543	2.8
207.06374	3.4
209.08148	4.3
240.07965	3.6
261.61301	3.4
268.07281	10.9
273.62048	3.3
279.14270	4.3
293.13763	7.6
297.15326	3.1
313.07016	5.8
314.07904	4.3
319.04514	10.0
328.12689	3.7
329.06607	2.8
329.10193	46.5
454.03564	3.3
490.23642	5.3
491.15402	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	489.3579
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.82170	0.7
53.03946	2.3
55.01881	1.0
55.05517	11.5
57.03446	3.9
57.07068	2.0
65.03928	1.8
67.05508	41.6
69.07071	9.8
71.04997	2.4
71.18513	0.8
79.05501	19.5
81.07065	28.7
83.04974	1.4
83.08635	6.4
83.30066	0.8
85.06541	1.7
91.05488	16.6
93.07051	22.1
93.07628	1.3
95.04987	3.2
95.08612	19.2
97.06554	2.3
97.10188	3.2
98.21465	1.6
103.05590	0.9
105.07042	17.9
107.08610	13.7
109.06598	1.1
109.10159	18.9
111.08084	1.0
117.07017	5.9
118.72044	0.9
119.08593	23.1
121.10153	12.0
123.11728	1.9
125.09654	1.8
129.07048	3.9
131.08569	12.0
133.10138	14.2
135.08032	1.1
135.11716	6.5
137.09680	1.3
139.11169	2.0
141.07030	1.4
143.08540	4.2
145.10132	10.9
147.04427	1.9
147.11691	9.8
147.12767	0.9
149.09622	1.2
149.13310	3.1
155.08574	3.2
157.10179	6.2
159.11726	10.9
161.13239	4.9
163.11444	1.2
163.14857	1.2
169.10164	3.1
171.11684	5.5
173.11777	4.7
173.13315	6.9
175.14859	2.3
177.12679	1.1
183.11761	3.5
185.13309	4.2
187.14931	3.9
189.16562	1.0
195.11780	1.1
197.13219	1.9
199.14888	1.7
201.16534	1.2
210.89807	0.9
211.14877	1.9
213.14807	2.1
213.16544	1.9
225.16440	1.5
227.18338	1.0
241.19716	1.5
243.21085	1.2
253.19565	0.8
261.22159	1.8
271.20520	1.4
273.22241	1.7
285.22052	2.0
299.23688	1.3
317.24847	1.5
338.62711	0.9
350.90530	0.8
367.46277	0.8
377.26831	1.6
379.29956	7.9
397.31168	11.6
415.32260	3.3
433.33005	1.0
435.32681	1.0
437.18427	0.9
438.74936	1.0
471.34790	12.2
489.35910	100.0
490.36392	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	489.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.6
56.96292	1.0
56.96568	14.5
65.31882	0.7
67.05497	2.4
69.03417	1.8
69.07063	2.4
69.76756	0.7
69.77905	5.6
70.06580	3.7
71.95242	1.1
72.08146	1.6
79.05507	0.8
80.94882	0.7
81.03396	1.0
81.07050	2.6
84.04483	0.9
84.08142	1.4
84.23137	0.9
85.02888	2.2
85.06543	1.2
85.07660	0.9
85.19229	0.8
86.09686	4.3
87.05550	1.6
91.05482	1.6
93.07040	2.7
95.04979	1.3
95.08608	4.4
97.02877	1.4
98.09726	1.0
98.97585	99.2
101.07150	1.0
103.03902	0.9
105.07012	1.8
107.08569	2.4
109.02886	1.3
109.10168	3.3
114.51487	0.7
116.98622	100.0
119.08569	2.2
121.10164	3.6
123.11707	3.3
127.03927	1.3
128.98621	0.9
131.04906	1.0
133.10167	1.5
134.99663	67.3
135.11687	1.1
137.09608	1.7
140.00233	5.5
149.13229	1.9
153.00708	9.4
158.01247	6.3
158.99664	37.8
167.07045	1.3
175.11940	0.9
175.14856	1.8
176.02336	0.9
177.00717	91.4
193.15869	1.0
195.01767	9.9
200.02319	11.4
203.84468	0.9
219.01782	15.6
237.02794	7.6
246.93773	0.8
249.11635	2.0
260.04428	1.5
265.11102	1.0
267.12692	8.4
279.03897	5.3
285.13742	7.0
291.12698	1.4
297.04816	1.8
303.14835	2.6
309.13687	25.3
327.14795	88.4
328.15195	1.9
339.15018	1.0
345.15787	9.4
350.16336	11.3
350.31873	0.8
369.15836	33.7
411.03503	1.0
429.17984	81.3
430.18137	1.5
447.19083	2.8
489.19904	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	489.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94406	0.9
52.95634	0.9
55.05506	1.6
56.96571	13.3
57.07904	0.9
60.15638	0.9
67.05490	2.7
69.07066	1.5
69.77503	6.5
70.06578	2.7
71.95265	1.7
74.06078	2.5
79.05492	1.3
80.13923	0.9
81.03419	1.5
81.07044	3.9
83.06139	1.1
84.04499	1.3
84.08129	1.0
85.02898	2.1
86.09695	2.2
91.05476	2.0
93.07044	2.1
95.08600	2.8
97.02890	1.9
98.97585	100.0
105.07007	2.3
107.08578	2.3
109.02847	2.0
109.10162	3.9
110.97616	1.0
111.04369	1.4
116.07099	3.0
116.98622	99.5
119.08587	3.7
121.10136	3.2
123.11737	5.5
127.03934	1.8
128.98653	1.0
133.10123	3.6
134.99661	59.5
135.11685	1.8
137.05969	3.0
137.09608	2.6
140.00175	5.2
144.06581	2.1
149.14536	0.9
153.00725	8.9
158.01271	4.0
158.99646	41.5
161.06015	1.4
163.11151	1.3
175.14847	1.5
177.00717	92.4
178.01196	1.1
195.01770	9.9
200.02306	7.6
209.08482	1.1
213.07993	1.9
214.03391	1.0
219.01776	20.4
237.02885	7.8
249.11638	1.6
260.04456	2.2
267.12527	4.4
279.03876	8.4
283.12036	1.3
285.13840	2.9
297.04889	1.7
309.13696	23.0
327.14789	80.6
328.14969	2.1
345.15878	13.9
348.35706	1.0
350.16415	10.4
369.15854	50.9
429.18002	26.7
447.19162	9.9
489.20087	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	488.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.6
55.05511	21.1
56.96560	17.6
57.07084	8.9
62.28926	6.0
66.64849	6.4
67.05509	25.3
69.03419	11.1
69.07069	20.1
70.06581	12.8
71.60375	13.1
73.62863	6.2
75.72418	6.6
79.05482	31.8
81.03433	13.6
81.07063	49.2
83.08613	22.2
85.02891	17.8
85.10182	17.3
91.03987	7.9
91.05490	34.7
93.07039	27.9
95.01334	12.2
95.04963	15.7
95.08603	25.2
97.06499	7.4
97.10175	7.9
105.07039	18.1
107.04978	7.1
107.08575	20.5
108.05393	6.9
109.10120	11.2
111.08089	22.3
113.09604	17.2
119.08571	13.9
121.10141	16.5
123.08057	13.6
131.08604	8.9
133.06462	8.4
133.10121	19.7
135.11729	13.8
147.08127	8.0
147.11697	16.7
151.11122	10.2
165.12743	29.5
179.14249	7.5
184.75850	7.3
249.22015	8.6
274.99527	8.7
277.21658	100.0
295.22574	33.7
349.16782	10.5
399.21753	10.3
417.22757	40.6
435.23718	50.4
453.24698	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	489.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05786	1.2
55.48856	1.3
56.96563	22.3
58.05373	1.2
61.02907	1.3
63.23117	1.2
67.05512	3.8
69.03432	1.3
69.07074	2.6
70.06599	7.0
71.04950	1.6
71.59250	2.2
72.08103	1.8
74.06087	2.0
81.03408	2.3
81.07074	3.0
84.96023	1.2
85.02910	4.1
86.09720	4.2
91.05490	2.7
93.07056	1.8
95.08598	3.9
97.02901	3.5
98.97585	42.9
99.04464	3.4
105.07056	6.0
107.04958	1.9
107.08598	3.2
109.02906	2.4
109.10162	4.1
110.97607	1.7
112.07594	1.8
112.08779	2.2
114.10348	1.6
116.98624	34.1
119.08601	5.4
121.10204	1.6
123.08044	1.4
127.00771	1.5
127.03918	3.7
128.98566	2.2
133.10158	4.1
134.99663	15.9
135.04414	1.6
137.06012	1.5
137.09641	2.3
146.99698	2.1
151.03854	1.9
151.07526	2.1
153.00749	2.8
158.01221	2.3
158.99672	13.7
159.03282	1.7
161.09662	2.1
161.19069	1.5
163.11195	2.3
165.00757	1.6
167.03847	1.6
167.07082	5.5
171.03297	6.9
177.00728	32.5
179.10661	3.3
185.04860	2.2
189.04352	28.1
189.09100	1.8
195.01749	2.9
199.06375	1.9
200.02332	2.0
202.24863	1.5
203.05882	7.4
207.05441	14.8
207.10223	2.5
211.06490	7.8
213.08037	3.8
215.09593	1.8
219.01842	5.0
221.06941	5.5
228.59824	1.4
229.07555	5.9
237.02661	6.5
249.11516	12.1
251.09595	1.5
267.12711	48.9
279.03961	2.6
285.13736	100.0
286.14169	1.5
290.14331	3.1
296.11969	2.2
303.14801	23.0
308.15411	5.2
309.13745	75.0
310.13940	1.7
327.14813	74.7
345.04727	2.1
350.16406	12.6
369.15909	22.5
429.17972	33.5
447.19028	32.9
489.19940	85.6
490.20337	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	488.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	15.7
57.07062	9.2
61.02910	15.3
67.05507	41.9
69.03426	15.5
69.07071	12.5
69.59354	31.2
69.59784	26.2
79.05495	25.6
81.03413	14.7
81.07060	23.0
83.05034	6.5
83.08607	8.4
85.02905	19.5
85.10184	22.8
88.15943	6.5
91.03960	7.5
91.05478	20.7
93.07051	19.8
95.05000	10.7
95.08609	24.9
97.02918	11.6
97.06522	8.6
103.35287	6.6
105.07031	21.9
107.04939	10.4
107.08625	12.3
109.02813	8.8
109.06504	7.4
109.10153	8.6
111.08111	7.2
113.09650	13.4
117.07005	7.6
119.08568	12.0
121.10161	11.5
123.04440	7.4
124.19147	7.2
127.03925	7.4
131.08575	10.6
133.10112	10.1
145.10132	17.0
165.12807	7.4
170.99556	7.4
187.17699	7.1
193.12352	8.8
287.12750	9.8
289.10818	8.3
305.13641	7.9
365.15540	8.8
365.65515	9.5
367.18210	8.8
381.19873	10.1
399.21527	29.6
417.22739	100.0
435.23874	76.7
453.24908	67.4
458.81027	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	488.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43278	1.6
53.03936	4.0
55.01882	2.2
55.05511	9.3
56.96580	2.0
57.07075	2.3
59.05001	2.0
61.02922	3.1
65.03928	2.2
67.05505	22.6
69.03434	19.6
69.07070	37.4
69.28936	4.5
69.29350	16.4
69.97086	1.8
70.04070	1.9
71.04996	9.3
73.02911	1.8
77.16675	1.6
79.05493	6.0
81.03436	15.1
81.07059	38.8
82.07394	1.9
83.04974	6.9
85.02908	22.9
89.07549	1.9
91.05485	8.0
93.07040	12.5
95.04958	9.3
95.08606	10.2
97.02900	25.2
97.06535	4.1
98.20712	3.5
98.97608	2.1
99.04434	4.4
103.03957	5.6
105.07006	7.4
107.04939	3.1
107.08601	21.8
109.02877	8.5
109.06515	8.1
109.10160	100.0
111.04436	2.3
113.06017	4.7
114.15769	1.9
115.05441	3.6
116.98588	2.2
118.22486	1.8
119.08588	6.2
121.06510	3.7
121.10159	6.9
123.08071	4.7
123.11713	53.8
125.05923	2.3
127.03954	11.0
127.11190	26.0
131.08572	2.9
133.10063	9.2
135.08069	4.0
137.06013	2.9
137.09599	2.4
145.04988	10.5
145.10153	3.6
147.04352	2.7
147.08012	2.5
147.11717	5.5
149.09631	5.6
151.11198	34.1
153.05464	2.1
161.09639	2.4
163.11194	2.4
165.05496	1.8
165.09148	7.0
167.03374	2.5
167.07076	2.1
168.08469	1.9
169.12244	31.4
175.07568	2.8
177.05524	6.4
181.12405	2.2
187.13364	5.2
193.12392	2.9
203.07018	4.6
207.06567	6.8
217.12392	2.3
231.06538	27.9
245.10289	4.0
249.07550	10.8
253.14336	4.7
271.15390	3.8
277.14377	5.7
295.15424	18.2
313.16394	13.4
314.07733	1.9
331.17584	2.1
399.18002	2.6
488.08035	2.5
488.29996	2.3
489.10071	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87486	1.2
55.05500	1.2
56.96572	1.7
57.03429	1.2
59.05000	8.7
67.05502	2.9
69.03465	1.4
69.07074	1.6
70.06593	4.2
70.51310	4.7
70.68161	1.1
72.08147	1.8
74.06081	1.2
79.05451	1.4
81.03428	4.2
81.07063	2.3
85.02911	3.5
85.06559	1.8
89.03918	5.6
89.06029	1.7
91.05468	1.9
91.64003	1.2
93.07056	3.2
95.08623	3.1
97.02879	2.7
105.07023	1.9
105.67107	1.2
107.08625	1.5
109.02881	2.5
109.10163	1.6
110.36185	1.3
115.29535	1.1
117.03371	20.4
117.09137	3.3
119.08604	1.9
121.10143	1.6
123.04366	1.6
131.08572	1.7
132.04495	3.5
133.08617	1.5
133.10132	1.3
134.03685	1.9
135.04453	1.4
145.02855	40.9
146.03194	1.5
147.04416	3.0
149.05942	7.1
161.13345	1.4
175.13313	1.6
177.05472	100.0
178.05803	2.2
180.10168	9.6
184.59564	1.1
186.05522	1.9
189.25586	1.5
195.06509	1.2
321.09882	6.6
339.10730	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	487.3423
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
53.03951	4.0
53.62673	1.4
55.01873	7.4
55.05265	2.0
55.05514	30.9
56.96555	3.9
57.03424	3.8
57.07090	3.4
65.03938	3.9
66.23407	1.6
67.05507	52.5
69.03421	2.1
69.06723	2.1
69.07070	26.7
69.44350	10.6
69.44755	3.0
71.04990	6.3
77.03903	1.5
79.05497	39.7
81.03425	3.4
81.07061	76.1
82.07404	2.2
83.04982	5.9
83.08626	16.3
85.06554	4.7
91.05485	41.0
93.07046	35.6
95.04958	10.3
95.08608	39.8
97.06535	7.0
97.10172	9.4
99.08099	2.7
105.07036	58.3
107.04967	6.8
107.08597	27.6
109.06521	7.6
109.10158	21.1
111.08091	4.2
113.06013	2.4
115.05476	2.4
116.06270	1.6
117.07023	21.9
119.04954	1.7
119.08588	47.3
121.06512	5.3
121.10161	21.8
122.10489	1.6
123.08090	5.9
123.11709	17.6
123.16094	1.7
125.09628	4.1
128.06223	6.6
129.07016	21.7
130.07733	1.9
131.08578	33.6
133.06487	5.9
133.10132	28.8
135.08127	4.1
135.11711	5.9
137.09602	2.7
137.13177	1.7
141.07011	6.3
142.07790	4.7
143.08582	22.3
145.06509	4.7
145.10127	27.6
147.08043	4.7
147.11691	44.1
149.09673	6.8
149.13292	3.2
151.11256	2.3
155.08583	14.4
156.09392	3.2
157.10144	23.4
159.08011	3.0
159.11702	17.7
161.09602	4.6
161.13289	5.1
163.11194	2.5
165.07054	1.8
165.12782	17.3
167.08574	4.3
168.09305	2.1
169.10109	16.2
171.11670	16.1
173.09665	5.2
173.13214	7.9
173.94115	2.1
175.11194	3.5
180.00410	1.9
181.10118	7.8
183.11740	17.8
183.13722	3.4
185.09727	2.3
185.13258	11.1
187.11253	3.1
187.14830	3.8
189.11208	2.1
193.10196	2.6
193.12152	1.5
195.11731	6.6
195.13654	2.2
197.13257	7.5
199.11229	2.6
199.14867	5.1
201.16441	1.7
207.11700	2.2
209.13329	5.4
211.14915	4.2
215.14365	2.2
221.13359	2.4
223.14833	3.5
225.16483	2.6
229.14397	5.0
233.15303	2.2
243.23680	1.7
259.20624	2.7
261.18549	3.6
263.20123	4.2
267.09219	2.3
269.10678	1.8
271.20447	2.2
273.18634	2.7
275.20154	19.9
285.10208	3.9
285.18564	4.9
287.03540	2.0
287.20139	2.0
291.19620	6.9
297.22220	2.1
299.20221	2.5
299.23776	2.1
301.21689	2.3
303.19492	2.0
309.22296	2.1
313.21716	5.5
315.23096	3.0
321.22086	2.7
324.11615	2.3
325.21817	3.2
327.23337	4.5
331.22571	2.2
339.23312	2.3
367.17850	2.5
403.28146	2.2
405.31500	3.6
407.29501	3.4
415.29886	4.3
423.32578	4.2
429.30066	1.7
433.31100	17.5
451.32117	33.1
459.34653	4.9
469.33170	69.5
470.33569	3.7
487.34256	100.0
488.34738	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	487.3417
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.63615	1.5
53.03935	5.3
55.01876	5.3
55.05256	2.7
55.05510	33.4
56.96564	4.8
57.03433	3.1
57.07074	2.5
60.88106	1.6
65.03933	5.5
66.60268	1.8
67.05502	68.1
69.03425	4.2
69.07066	28.1
71.04986	7.1
71.60455	2.9
73.02909	2.6
79.05491	47.9
81.03396	6.0
81.07052	81.1
83.04980	6.7
83.08624	16.5
85.02918	4.7
85.06544	6.5
91.05482	61.9
93.07037	47.2
95.04977	14.7
95.08607	49.0
97.06530	6.7
97.10193	9.3
99.08083	3.8
105.07027	75.2
107.04942	9.7
107.08588	34.7
109.06548	5.2
109.10155	20.7
111.08087	3.9
115.05447	3.3
117.07021	25.4
119.08581	51.4
121.06493	5.2
121.10149	23.0
123.08064	5.9
123.11718	14.6
123.64884	2.0
125.09624	4.4
127.03912	2.5
127.07562	2.5
128.06209	5.2
129.07007	18.4
129.13374	1.7
131.08571	38.6
133.06519	4.4
133.10123	40.1
133.11092	3.6
135.08035	6.3
135.11682	12.7
137.02354	2.9
137.09641	2.7
139.11205	2.4
141.06973	6.9
142.07770	4.5
143.08588	20.3
145.06488	6.4
145.10112	31.7
147.08058	6.2
147.11682	40.5
149.09644	11.2
149.13248	4.3
151.11197	2.3
155.08554	15.7
156.09300	2.4
157.06512	2.3
157.10109	21.9
159.08011	3.9
159.11670	21.1
161.09641	2.7
161.13263	6.0
163.11121	2.8
165.12766	14.1
167.08482	4.4
169.10124	15.8
171.07910	1.8
171.11671	16.7
173.09598	4.3
173.13261	10.9
175.11208	5.7
177.12746	2.2
181.10144	6.2
183.11685	16.8
183.13849	3.4
185.09712	2.8
185.13148	10.8
187.11156	3.1
187.14922	3.5
189.12776	2.0
193.12218	2.8
195.11714	9.1
195.13707	3.9
196.12524	1.9
197.13234	9.8
199.11220	2.7
199.14839	5.4
201.12706	2.7
209.13222	5.9
211.11336	2.1
211.14861	5.5
215.14310	2.8
221.13368	3.9
223.14922	4.2
225.16571	2.6
229.14336	2.7
239.18068	3.7
247.16956	2.2
255.17555	2.4
257.19028	5.3
259.20609	2.8
261.18637	3.0
263.20166	3.3
267.08945	2.5
273.18558	2.9
275.16953	2.9
275.20026	54.9
277.21613	2.6
285.10184	5.0
287.20105	3.4
291.19522	3.0
299.20111	4.1
301.21597	4.9
313.21695	4.7
321.22318	3.6
325.21664	2.9
327.23215	3.9
339.23328	4.6
347.97394	1.8
375.25113	2.7
415.29596	4.7
419.27563	2.9
423.32886	4.0
433.31082	19.6
451.32071	32.4
459.34726	4.1
469.33160	67.4
470.33414	3.5
487.34192	100.0
488.34744	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	487.2152
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05498	0.5
57.03426	0.4
57.87465	0.5
59.04982	1.3
60.02258	0.5
62.55404	0.4
64.09727	0.4
67.05496	1.0
69.03417	0.9
69.07069	0.8
70.06599	4.6
71.06918	0.6
71.59927	0.4
71.60326	0.5
79.05486	0.6
81.03434	0.7
81.07047	2.4
83.04977	0.5
85.02896	1.1
86.09701	1.0
89.06036	1.1
91.05475	1.2
93.07063	1.1
95.08604	1.3
97.02863	0.6
98.97588	0.6
105.07018	0.8
107.08605	1.1
109.10139	1.2
112.07613	2.7
113.07973	0.8
116.07110	1.0
121.10177	0.6
123.11718	0.6
133.08656	0.6
133.10114	0.4
135.08124	0.5
135.11667	0.7
137.06007	0.7
140.07088	1.3
141.07349	0.4
149.13254	0.7
175.11978	0.5
209.11751	0.9
219.14584	0.5
236.14850	0.5
267.10281	0.5
285.11774	0.5
307.26251	0.7
321.30917	0.4
335.09476	8.5
355.17194	1.8
377.01913	0.6
487.21481	100.0
488.21817	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	2-Hydroxyrubiarbonone E
Peak:m/z	Relative Intensity
52.88159	2.5
55.01862	4.9
55.05516	18.0
65.03896	2.1
67.05511	29.5
69.07080	12.0
70.28874	11.8
71.04980	3.7
79.05500	20.4
80.21150	2.1
81.07059	33.3
83.04972	2.9
83.08607	9.8
91.05475	25.5
93.07049	19.5
95.04961	7.3
95.08623	21.0
96.00208	2.4
97.06502	3.0
103.08949	2.3
105.07041	21.2
107.04916	3.2
107.07931	2.4
107.08586	10.7
109.06536	6.4
109.10149	7.3
113.23753	2.4
117.07014	12.4
119.04914	3.1
119.08578	14.4
121.06511	3.9
121.10147	6.8
123.11669	2.5
129.07008	12.3
131.08583	19.3
133.06517	7.1
133.10104	9.1
135.08018	4.1
135.11694	6.7
137.09576	3.5
141.07013	2.2
143.08609	12.9
145.06479	8.6
145.10104	13.7
147.04417	3.4
147.08089	6.9
147.11664	4.6
149.09641	5.6
151.11133	2.3
155.08548	8.2
157.06673	2.2
157.10117	11.6
157.45749	2.2
159.08076	8.3
159.11711	11.7
161.09625	6.8
161.13358	3.0
163.11241	4.8
167.08566	4.4
169.10103	8.1
171.08051	4.1
171.11670	9.9
173.13226	6.5
175.11131	3.2
177.12688	5.2
179.08611	2.4
181.10081	6.9
183.11636	7.2
185.13203	6.0
187.11183	4.8
187.14861	3.3
195.11739	5.0
197.13272	3.0
199.11189	5.6
207.11745	4.5
209.13278	4.1
211.14816	6.1
271.16830	3.2
313.21646	5.2
327.23108	3.2
329.21451	2.6
339.23148	2.7
405.31909	3.0
415.29639	5.1
423.32904	3.7
433.31058	34.9
451.32120	90.2
452.32315	4.1
469.33191	100.0
470.33371	3.8
487.34821	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23642	0.2
55.05520	0.3
55.35175	0.2
61.02940	0.3
67.05527	0.3
69.03434	0.8
69.96092	1.5
70.06606	0.5
73.02915	0.3
74.97982	0.2
81.03416	0.4
83.01104	0.6
84.01888	0.4
84.08138	0.3
85.02904	1.4
91.03929	0.3
94.06577	1.0
95.01112	1.2
96.01885	0.6
97.02900	1.1
99.04475	0.2
101.02389	0.2
105.06994	0.6
109.02869	0.6
111.00552	0.4
111.04446	0.5
112.01369	0.5
113.02135	2.3
118.13555	0.2
123.04462	0.5
126.02946	0.3
127.03885	0.6
129.05511	0.4
133.06514	0.9
137.06012	0.3
139.03908	0.8
147.06580	0.3
157.04756	0.3
161.02963	0.5
161.05974	1.3
163.03969	0.4
166.05066	0.2
167.03198	0.5
167.07080	0.5
185.04251	2.9
189.05225	9.3
193.07054	0.3
193.08653	0.8
201.03766	0.8
203.05318	1.2
206.15437	0.7
211.04457	0.3
224.16467	0.7
235.05809	0.9
237.02859	0.3
243.08772	0.3
250.08153	9.7
251.09045	0.9
254.06323	0.3
259.07764	1.9
263.09058	0.3
287.09814	0.3
291.10919	0.3
293.09988	1.1
295.11557	0.3
298.20172	1.4
299.01941	0.5
325.12610	0.7
326.03101	0.5
343.11920	0.3
395.13229	1.1
439.15567	0.3
457.16888	1.6
460.25302	0.6
469.15894	0.2
487.17905	100.0
488.18182	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26047	2.7
53.03956	4.3
55.05520	6.1
57.03428	5.8
61.02928	3.0
67.05513	8.4
69.03426	13.8
69.07075	5.8
70.06599	15.3
71.05009	3.1
72.08148	10.7
75.04478	7.9
76.25370	2.3
79.05497	26.4
81.03423	16.0
81.07053	12.1
83.04997	4.3
84.08132	2.5
85.02900	13.2
85.06560	5.4
91.05495	21.5
93.07050	97.1
95.04977	7.3
95.08614	9.1
97.02915	13.3
97.06541	8.7
99.04472	4.0
105.07048	13.9
107.04964	5.1
107.08604	15.5
109.02881	6.8
109.10156	9.7
111.04430	7.2
111.08110	5.9
116.07103	3.0
119.08581	29.9
120.08852	3.5
121.06483	3.5
121.10154	100.0
121.11032	4.8
123.04439	3.9
123.08078	5.5
123.11676	3.1
125.01553	6.2
125.05981	8.3
127.03936	8.9
131.08546	4.7
133.10149	4.0
137.05981	7.6
137.09668	4.4
139.03899	5.5
139.11198	4.5
145.10086	3.3
146.69991	2.8
147.04440	4.2
147.08052	2.5
149.09599	17.0
151.07564	3.4
153.05475	59.0
159.11510	2.4
161.13376	3.0
165.05490	3.1
167.03392	2.8
167.07037	2.7
167.10669	28.4
173.09650	3.5
175.04063	2.7
177.05486	10.3
187.07524	3.0
189.09079	2.8
191.07071	8.9
193.05042	3.7
193.08644	6.0
203.07063	3.3
207.06592	3.5
219.06459	3.4
222.04337	17.0
225.85048	2.6
226.79323	2.5
229.12245	4.4
231.06575	4.4
249.07544	2.7
261.14771	4.9
271.13425	2.5
289.14355	11.4
293.13953	5.8
303.74988	2.6
311.14893	10.0
324.11136	8.5
433.18646	4.2
486.19675	2.8
486.33676	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	486.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	15.7
55.05502	31.4
56.96555	24.5
67.05492	41.5
69.07063	28.7
69.79404	9.7
70.73493	27.8
75.17416	9.2
79.05489	46.3
81.03405	19.0
81.07068	100.0
83.05000	17.1
83.08619	23.7
85.02895	20.3
91.05476	39.0
93.07036	30.5
95.01341	13.8
95.04970	32.1
95.08592	29.1
104.51074	11.5
105.07011	45.1
107.08581	22.5
109.06503	37.2
109.10165	14.8
117.07027	10.3
119.08576	22.7
121.10176	24.1
123.08038	12.1
131.08556	25.2
133.10184	20.7
141.01872	14.9
142.07919	12.3
145.10103	19.1
147.11653	28.9
149.13174	17.8
157.10130	17.2
163.11160	15.9
175.11028	9.8
197.07750	10.3
198.65308	10.5
257.19260	25.3
260.80917	10.6
275.20117	95.1
276.20477	11.0
293.21048	12.0
433.22162	95.2
451.23172	87.3
486.21948	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	486.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
54.59681	0.7
55.01872	2.2
55.05293	0.7
55.05512	7.3
56.05040	1.1
57.03432	1.8
57.07065	1.6
58.99581	12.3
65.03930	0.8
67.05507	28.5
69.03438	1.8
69.07062	5.6
69.35075	6.5
69.35480	1.7
70.06579	1.6
71.04991	1.6
72.08159	1.8
73.01149	0.9
76.02227	54.4
76.04005	3.0
79.05485	8.2
81.03415	1.5
81.07060	24.7
83.04961	0.9
83.06094	2.2
83.08612	1.8
84.04037	1.4
84.04507	20.9
84.08131	1.5
85.01114	2.1
85.02879	1.2
85.06510	1.2
86.99045	4.5
88.02216	1.5
91.05482	7.2
93.07047	9.8
95.04961	3.5
95.08607	40.2
96.08941	1.2
97.01119	0.9
97.06540	1.9
98.21539	1.6
99.02709	1.1
99.05566	1.5
100.02219	0.8
103.59824	0.8
105.07024	10.4
107.08599	5.9
108.08092	1.1
109.06517	3.7
109.10157	22.6
111.02692	0.7
112.02128	0.9
113.04218	2.2
114.83134	0.7
116.01674	21.2
117.07023	1.7
119.08578	11.8
121.10152	4.7
123.08076	3.9
123.11703	0.9
126.09093	0.9
129.06624	2.3
130.04977	5.3
130.06868	2.8
130.08545	1.3
131.08565	0.9
133.10112	4.1
134.09653	3.4
135.08080	1.1
135.11688	1.9
137.05989	0.9
137.09613	2.7
139.05769	2.1
142.03210	4.4
144.01152	10.0
145.06096	1.7
145.10056	0.9
151.14815	15.6
161.09628	1.6
161.13257	10.2
162.02208	36.9
167.05251	1.0
167.79283	0.9
170.02684	2.2
175.14760	1.2
178.15866	1.1
179.04857	100.0
179.14311	28.7
187.05368	3.5
203.14391	1.4
216.06934	1.9
233.05907	12.7
233.09557	1.4
233.41226	0.8
236.14682	3.6
237.13084	4.3
245.05881	1.7
254.15817	2.6
255.98462	0.7
272.07010	0.9
290.08057	1.2
290.17599	1.8
291.06415	2.9
308.09128	18.1
309.25589	0.9
339.13568	1.5
339.17386	16.2
357.18509	3.2
365.18661	1.1
383.20917	1.0
393.18497	2.3
411.19504	13.8
468.21710	11.5
468.34464	1.5
486.23212	16.2
487.22812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
55.05514	9.2
56.05029	1.8
57.03426	2.3
57.07072	1.7
58.99589	13.3
61.21876	0.8
65.03945	1.5
67.05505	29.1
69.03426	2.3
69.07072	5.5
70.06590	2.0
70.69779	0.9
70.72759	1.8
70.73159	1.6
71.04993	1.8
71.20380	0.8
72.08137	2.1
73.01134	0.9
73.53493	1.0
76.02230	57.5
76.03990	3.5
79.05495	9.0
80.04998	1.1
81.03421	1.6
81.07063	25.2
83.04974	1.8
83.06102	3.7
83.08614	3.5
84.04506	21.3
85.01107	1.3
85.02917	1.3
85.06562	0.9
86.99060	4.6
88.02219	1.6
88.12968	0.9
91.05481	8.8
93.07038	11.9
95.04967	4.7
95.08608	45.8
96.08891	1.1
97.06501	1.5
99.05555	1.2
105.07031	10.7
107.08599	7.0
108.08104	1.4
109.06541	4.1
109.10154	31.0
111.08060	1.3
112.03981	1.4
113.04209	1.8
116.01681	21.4
117.07026	2.1
119.08582	13.2
121.10157	5.0
122.63892	0.8
123.08066	3.0
126.09150	1.1
127.05762	0.8
129.06625	3.0
130.05013	8.0
130.06845	3.6
131.08560	1.7
133.10143	4.0
134.09630	2.8
135.11679	2.4
137.09621	3.3
138.09964	0.8
139.05754	2.1
141.07262	1.1
142.03223	6.1
143.08542	1.0
144.01149	12.5
145.06088	1.6
149.09627	1.2
151.14827	18.2
156.08441	1.3
157.10098	1.2
161.09581	1.5
161.11964	1.2
161.13255	12.5
162.02216	42.4
170.02687	2.4
179.04861	100.0
179.14319	33.2
187.05423	1.3
199.07053	1.0
203.14372	1.9
210.14874	0.9
215.04825	1.3
216.06851	1.7
220.54883	0.9
233.05927	15.8
233.09497	2.0
236.14635	4.6
237.13123	4.5
245.05852	2.8
254.15759	2.7
290.17545	2.4
291.06390	1.9
308.09140	19.0
339.17392	15.1
357.18436	2.3
365.19409	0.9
393.18402	2.9
411.19510	17.3
468.21658	11.9
486.22992	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	486.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05520	1.3
56.96558	0.6
57.03441	1.3
57.07071	1.1
61.02920	2.1
67.05509	1.1
69.03432	7.2
69.07072	2.2
69.50532	0.5
69.73257	1.2
69.73670	2.7
70.04080	100.0
70.06611	0.6
71.05000	1.4
71.08624	1.0
73.02914	0.9
73.06541	0.7
73.43238	0.6
79.05475	0.7
81.07056	3.2
82.07388	0.6
85.02909	15.7
87.04466	0.8
91.04009	0.6
91.05479	1.5
93.07051	1.2
95.04986	0.7
95.08633	3.2
97.02883	4.7
98.20771	1.2
99.04477	1.1
103.05493	1.0
105.07020	0.9
107.08604	1.6
109.02893	1.4
109.10147	1.9
110.10550	0.7
114.66861	0.5
115.03950	1.2
115.05472	0.8
119.08585	0.7
121.10145	1.0
123.11686	0.7
125.01546	12.6
127.03906	2.7
128.06273	0.9
129.07013	0.9
137.06029	0.7
139.03090	2.0
144.09358	0.7
145.04980	2.0
145.06332	0.5
151.03099	10.5
163.03120	2.1
165.04648	4.1
177.04643	1.4
179.06242	4.6
184.57962	0.5
207.09447	1.3
219.09546	0.8
276.12628	3.5
306.13693	12.3
324.14749	73.4
325.15048	0.8
441.17221	0.6
473.84918	0.5
486.19955	10.7
486.26831	2.9
498.28381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
55.05514	16.3
56.96561	2.6
57.07067	10.2
59.04990	4.3
67.05506	43.9
69.03434	16.0
69.07074	47.1
70.06590	3.3
71.04993	5.0
71.08620	3.2
71.60429	4.5
79.05505	19.3
81.03413	9.0
81.06578	4.8
81.07063	100.0
83.04983	5.0
83.08619	18.0
85.02927	8.7
85.06558	4.0
91.05482	13.6
93.07055	34.7
95.04995	12.1
95.08613	65.1
97.02913	5.7
97.06518	7.4
97.10171	12.2
99.04473	3.1
99.08091	3.5
105.07011	21.7
107.04945	3.9
107.08607	42.5
109.02908	4.4
109.06531	7.1
109.10162	75.0
111.04450	2.9
111.08124	6.7
111.11735	5.8
119.08583	19.6
121.06521	5.5
121.10156	27.9
123.04465	2.4
123.08090	2.8
123.11713	52.4
123.12576	3.9
125.09616	2.7
127.03947	7.0
130.17917	2.2
131.08617	7.9
133.10133	15.6
135.08090	4.2
135.11720	20.3
137.05948	4.0
137.09583	4.0
137.13257	29.4
139.03868	2.7
139.11130	3.2
143.08502	4.3
145.10156	7.3
147.08096	4.1
147.11713	13.9
149.09645	4.5
149.13251	16.9
151.11183	9.9
153.12787	3.8
157.10062	5.4
158.70869	2.4
159.11754	8.6
161.09631	12.8
161.13281	8.1
163.11244	5.7
163.14891	5.6
165.12636	4.1
167.10681	3.7
169.12314	6.6
171.11734	2.6
172.95331	3.4
173.13289	3.1
175.11205	4.0
175.14874	6.8
177.05539	3.1
177.12730	2.8
177.16388	7.6
179.10678	7.4
181.12267	11.0
185.13203	3.3
189.16495	3.4
193.12334	5.9
195.13821	4.4
203.17976	3.7
205.19594	2.5
235.16956	2.8
249.18658	5.5
259.24207	3.6
287.23679	13.8
305.24765	15.6
349.16910	7.2
393.89935	3.0
411.60120	3.1
449.28424	4.3
467.14883	4.0
467.29996	12.0
485.16257	13.1
485.23215	7.0
485.31247	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	485.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19163	0.3
55.05513	0.4
65.03957	0.8
67.05486	0.4
69.07032	0.3
71.51943	0.6
81.07039	0.3
91.05487	7.9
108.90102	0.4
119.04951	20.2
133.10133	0.6
147.04419	100.0
148.04742	0.5
178.28596	0.3
178.30133	0.4
198.62579	0.3
214.08905	0.4
247.56439	0.3
250.75697	0.3
321.28000	1.2
339.28970	1.6
340.06894	0.4
485.32471	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89653	0.2
55.05511	0.7
57.03433	0.2
57.07081	0.8
63.02956	0.2
65.03945	1.0
65.04245	0.2
66.85468	0.2
67.05502	0.5
69.07067	0.4
69.44899	1.6
71.04985	0.2
79.05505	0.8
81.03420	0.4
81.07065	0.4
83.05013	0.5
83.08650	0.3
85.06542	0.5
85.16763	0.2
91.05482	43.0
92.05820	0.2
93.07031	0.3
95.04967	0.3
97.02956	0.3
98.21455	0.4
103.03945	0.2
103.05489	0.6
104.06256	3.5
105.07035	7.9
109.06501	0.4
111.08073	0.5
117.07031	0.5
123.08064	0.3
127.07576	0.6
131.08575	0.7
133.10132	100.0
134.10480	1.0
147.08064	2.8
149.09636	1.4
153.09128	0.7
167.81146	0.2
169.08566	0.4
171.10176	0.6
189.11305	0.4
303.11786	0.2
331.18115	0.3
467.31931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05509	3.4
56.71128	0.6
57.03236	0.6
57.03441	6.7
57.07077	21.9
67.05502	4.0
68.87686	0.6
69.07078	4.2
70.42362	0.6
70.67315	2.2
71.08633	15.9
78.74823	0.6
81.07059	6.4
83.08634	4.6
85.10184	7.2
89.06052	1.2
95.08608	8.1
96.02100	0.6
96.97568	0.7
97.10167	2.4
98.98465	3.8
109.10167	2.7
120.12473	0.8
123.11691	1.4
155.01012	2.2
239.23680	1.2
257.24716	1.4
313.27371	100.0
314.27670	3.2
449.26535	1.3
460.41885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
55.05510	19.4
57.03426	4.0
57.07066	12.0
58.05448	2.6
60.05635	3.4
67.05504	34.7
69.03418	17.6
69.07069	43.2
69.33555	16.3
69.33987	14.1
70.04073	18.7
70.06592	5.2
70.67830	2.9
71.04967	6.1
71.95569	3.1
72.79711	2.8
74.05290	2.4
79.05485	25.3
81.03410	13.5
81.07054	100.0
83.04974	5.6
83.08607	12.9
85.02896	13.6
85.06545	5.1
91.05472	15.0
93.07030	43.6
93.12416	2.7
95.04954	11.6
95.08607	73.4
97.02901	5.3
97.06532	7.0
97.10160	5.9
99.08047	3.6
105.07022	22.7
107.04952	4.2
107.08601	51.4
109.06504	7.5
109.10157	59.4
111.04481	2.9
111.08050	4.7
111.11726	6.5
115.95530	2.5
117.07030	4.5
119.08582	20.2
121.06501	7.2
121.10135	40.3
123.08095	8.0
123.11707	38.0
125.01552	23.7
125.06020	5.8
127.03912	5.0
131.08539	10.4
133.06477	3.5
133.10153	15.4
135.08067	6.1
135.11684	26.5
137.05975	5.5
137.09618	6.8
137.13246	26.9
139.03085	7.8
139.11156	7.9
142.07678	3.2
145.10149	9.2
147.04466	4.0
147.11662	17.7
149.09605	5.1
149.13263	15.1
150.10220	4.7
153.09103	3.0
157.10095	3.5
159.11703	8.5
161.13268	8.9
163.03065	3.1
163.11131	8.7
163.14815	5.6
165.12724	4.0
167.10719	3.2
168.11324	9.8
171.11665	5.9
173.13266	5.7
175.14798	8.7
177.12715	4.7
177.16389	12.5
189.12749	3.8
189.16382	8.7
203.17967	5.1
219.09378	3.4
259.24350	5.5
287.23709	11.9
288.12579	21.3
301.07361	3.8
303.23361	3.1
305.24698	15.7
306.13712	28.7
324.14682	9.9
395.25827	4.8
431.27167	7.0
431.32437	5.5
449.28726	26.7
461.22318	3.0
467.30112	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	485.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01870	2.9
55.05514	10.0
55.47392	0.9
57.03434	2.9
57.07074	1.3
65.03936	2.0
65.35431	0.9
65.82639	0.8
67.05170	1.4
67.05507	25.4
69.03437	2.6
69.07063	10.2
69.72083	3.1
69.72514	2.8
71.04992	2.5
73.05148	0.8
76.40078	0.9
79.05492	24.9
81.03411	2.4
81.07059	78.8
83.04973	7.6
83.08642	6.7
85.02912	0.9
85.06550	1.3
91.05486	22.1
91.56927	0.9
93.03357	1.2
93.07047	18.5
95.04981	10.5
95.08614	17.3
97.06525	5.2
97.10165	3.1
98.21545	1.2
99.08120	2.5
105.07036	27.6
107.04955	9.7
107.08604	12.3
109.05782	1.4
109.06526	20.8
109.10171	8.4
111.04432	5.4
111.08073	1.7
117.06992	5.2
119.08585	18.7
121.02874	2.8
121.06489	4.8
121.10152	11.7
123.08060	4.9
123.11702	6.1
125.09650	1.4
128.06229	1.0
129.07030	2.2
131.08571	10.4
133.06552	1.3
133.10133	15.7
135.08081	4.2
135.11684	5.2
137.09641	4.0
139.03926	1.8
143.08566	2.4
145.06421	1.1
145.10127	10.0
147.08063	2.4
147.11673	15.3
149.09628	6.6
149.13278	4.6
151.07486	1.0
151.11179	2.9
153.09108	1.1
155.08588	1.9
157.10165	4.1
159.08032	1.1
159.11687	6.8
161.09613	1.1
161.13232	2.5
163.11179	5.7
163.14774	2.0
165.12811	5.0
169.10106	1.5
171.11742	1.9
173.09694	1.5
173.13252	2.5
175.11206	2.4
175.14758	0.9
177.12856	1.7
183.11665	1.4
183.13820	1.3
187.14867	1.0
189.12863	1.4
193.12204	1.9
197.13307	2.0
215.18065	1.5
217.15765	1.0
229.14398	1.5
229.19563	3.1
239.18007	3.2
247.20700	4.6
256.03183	0.9
257.19019	8.7
265.21451	1.4
275.20074	100.0
276.20291	1.2
293.21127	42.7
311.21951	1.1
366.20340	1.0
367.17520	1.8
372.08179	1.1
431.24606	2.1
449.25519	5.3
467.26282	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	485.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01875	3.9
55.05513	10.7
56.96553	0.8
57.03445	1.6
57.07075	1.5
64.04677	0.5
65.03950	2.5
67.05510	22.7
69.03429	3.2
69.07075	10.6
71.04998	2.9
71.59994	0.5
79.05499	24.2
81.03423	2.6
81.07062	77.5
83.04981	6.7
83.08627	7.5
85.06552	2.0
87.51306	0.6
88.89143	0.5
91.05485	22.0
93.03416	1.0
93.07050	17.4
95.04978	8.4
95.08613	18.4
97.02855	0.8
97.06529	4.3
97.10172	2.4
99.08116	1.7
103.05475	0.6
105.07033	25.5
107.04956	8.9
107.08598	12.7
107.09290	0.9
107.41673	0.6
109.06524	20.5
109.10158	8.2
111.04457	4.3
111.08068	2.5
115.05502	0.7
117.07018	6.4
119.08588	18.8
121.02882	3.8
121.06515	4.2
121.10149	11.0
123.08071	4.9
123.11711	5.5
125.06010	0.6
125.09674	1.0
127.07581	1.1
129.05507	1.2
129.07001	2.9
131.04756	0.5
131.08585	9.4
133.06549	1.3
133.10141	16.1
135.08075	4.5
135.11673	4.5
137.05917	0.6
137.09605	3.5
139.03909	1.1
139.11191	0.7
141.07050	0.6
143.08600	2.2
145.06490	0.5
145.10130	9.9
147.08060	1.6
147.11690	16.5
149.09616	7.6
149.13272	3.9
151.11215	2.3
155.08574	1.5
157.10144	3.3
159.08084	0.7
159.11717	6.3
161.09671	1.9
161.13341	3.0
163.11162	6.0
163.14865	1.6
165.12762	6.3
169.10168	1.0
171.11726	2.2
173.09688	1.4
173.11836	0.8
173.13249	3.8
175.11139	2.5
175.14838	1.1
177.12778	1.8
177.16418	0.9
179.14336	0.8
183.11691	1.5
183.13840	0.8
185.13287	1.3
187.14882	1.2
189.12755	0.9
191.10704	0.6
191.14349	1.2
193.12248	2.7
195.13864	0.9
197.13263	1.6
199.14766	1.2
201.12904	0.6
201.16412	1.1
205.12282	0.5
205.15953	1.1
207.13823	0.8
213.16440	1.1
215.14322	1.0
215.18028	1.7
217.15843	0.8
219.13824	0.9
229.14359	1.7
229.19528	2.4
231.14294	0.5
233.15282	0.8
236.16765	0.5
239.17966	4.1
247.20572	4.0
257.18976	8.1
265.21698	0.8
275.20074	100.0
276.20404	0.7
293.21130	38.2
294.21576	0.6
306.67316	0.5
367.17667	2.7
403.24576	0.7
431.24261	1.2
449.25348	5.4
467.26166	3.5
485.33112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05287	0.7
57.07079	100.0
59.99107	6.8
67.05495	1.3
70.06601	1.0
71.59641	1.1
81.07056	1.2
81.93575	0.8
85.07659	2.3
86.06073	13.0
93.07065	1.0
95.04981	1.1
101.38662	0.9
102.03761	2.0
109.10096	0.8
116.05326	48.4
122.06042	39.3
140.64259	0.8
141.13908	1.3
142.12299	0.9
145.04314	5.8
201.10582	88.1
222.98425	0.9
246.51274	1.1
284.11295	7.5
322.47488	0.9
388.30200	0.9
430.11969	0.8
439.75848	0.8
484.21265	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.5
57.03471	1.4
57.72376	1.7
60.04526	1.3
60.05645	4.7
61.02919	1.8
65.03908	1.7
67.05502	5.5
69.03429	8.1
69.07060	3.9
70.06594	20.5
71.04993	5.2
71.58840	2.1
72.08159	2.3
79.05496	2.9
81.03428	6.7
81.07067	2.5
83.04989	2.6
85.02914	10.3
91.05493	5.2
93.03468	1.5
93.07075	2.9
94.06547	7.5
95.04978	6.2
95.06113	1.5
95.08623	1.9
96.04528	1.5
97.02901	5.6
98.06027	2.0
98.97585	2.0
106.06583	3.1
107.04959	5.2
107.08562	1.5
109.02887	4.3
109.06545	2.2
110.06065	4.5
111.04472	4.3
111.08109	1.6
112.08719	3.1
113.06016	3.1
114.05517	4.1
116.07120	5.9
117.06986	1.8
119.04970	6.1
119.08472	1.9
119.13914	1.5
120.08100	2.3
121.02834	1.9
122.06039	16.2
123.04436	6.8
124.07595	17.0
126.05405	1.8
127.03934	4.0
130.09782	2.9
131.08562	1.9
132.04506	2.1
136.07538	2.6
137.05989	2.9
138.09148	6.7
139.03879	9.9
140.07069	63.8
146.09653	4.5
147.04411	35.9
148.07620	1.9
149.06006	2.9
150.05537	3.8
152.07092	2.2
154.08638	4.8
158.09288	2.8
164.07074	10.2
164.10750	7.2
166.08606	9.8
167.07056	1.7
168.06596	10.3
174.09198	4.9
175.11903	17.1
179.03476	1.9
182.08130	4.5
182.11824	7.0
184.09700	8.8
186.99219	1.6
192.10144	11.2
208.09602	1.7
210.11247	52.6
242.11827	4.2
242.41165	1.5
259.14493	8.3
260.12744	3.3
269.12979	3.1
270.11404	6.3
276.10858	6.3
287.13849	14.5
287.22296	1.9
288.12354	15.8
302.12473	2.9
305.14951	42.0
306.13235	10.0
321.15530	4.4
323.15997	27.8
370.74286	1.7
460.37988	1.6
467.20334	25.1
485.21146	100.0
486.21301	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3472
Annotation	Complanadine A
Peak:m/z	Relative Intensity
55.05511	1.6
57.07064	1.3
58.07943	1.0
66.06962	0.9
66.81070	0.9
67.05496	2.5
69.07068	14.9
69.27323	11.6
71.08632	1.3
79.05492	1.7
81.07046	3.4
83.31928	1.0
89.06010	1.5
91.05473	2.4
93.07071	1.3
95.04957	1.5
95.08626	1.4
95.82770	0.9
107.04961	1.2
109.06508	5.2
109.87128	0.8
111.04414	1.6
119.04951	3.3
123.04430	42.8
123.21780	0.9
125.05987	1.1
137.05980	100.0
138.06299	1.0
147.04401	17.7
149.05952	4.8
151.07573	2.2
157.68204	1.0
163.07539	3.9
219.53172	1.1
314.49860	1.0
410.00613	1.1
415.28430	2.6
427.28467	71.4
428.28705	1.2
483.34875	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	483.2957
Annotation	Fusicoccin H
Peak:m/z	Relative Intensity
53.03948	3.9
53.88128	2.0
55.01870	4.6
55.05298	2.2
55.05518	21.6
56.96568	2.6
57.03421	5.4
57.07078	5.8
60.05648	6.2
61.17350	1.9
62.07153	2.3
65.03931	4.1
67.05168	3.4
67.05509	45.9
69.03439	19.6
69.07069	48.8
69.24097	2.2
70.06597	21.3
71.05003	8.4
71.59610	2.1
71.60057	2.8
72.08160	4.6
73.02919	2.4
74.28555	2.0
79.05495	22.4
81.03423	24.1
81.07065	100.0
83.04972	7.1
83.08619	12.9
85.02912	12.1
85.06535	6.0
90.85521	2.5
91.05492	22.0
93.07052	54.5
95.04950	15.0
95.08610	68.5
97.02897	9.2
97.06515	11.6
97.10192	7.9
98.09697	7.0
99.04478	6.1
100.07706	2.1
105.07036	37.0
107.04925	2.7
107.07868	3.9
107.08595	66.7
109.02887	5.8
109.06544	10.5
109.10159	91.1
111.04463	6.9
111.08096	7.1
111.11733	6.3
112.08746	3.9
113.06075	3.6
114.10320	2.8
115.03909	3.2
116.07085	4.3
117.07043	3.8
119.08588	29.2
121.06500	7.8
121.10147	42.5
123.04415	3.4
123.08062	5.4
123.11707	39.5
125.05976	5.5
125.09623	5.9
127.03918	8.7
127.11158	3.0
129.06992	2.9
131.08571	9.7
133.06473	2.6
133.10136	22.8
135.08087	7.4
135.11714	37.3
137.05991	8.0
137.09616	6.5
137.13251	11.2
139.03989	3.6
139.11183	6.6
141.05515	5.2
143.08528	5.0
145.10132	15.0
147.04398	5.6
147.08020	3.3
147.11700	25.7
149.09618	6.5
149.13246	12.5
151.03908	2.5
151.07535	2.7
151.11185	13.9
153.05495	4.7
153.12706	11.6
156.09271	2.5
157.10165	7.2
159.08122	2.4
159.11708	12.3
161.09636	9.6
161.13269	9.0
163.07544	3.2
163.11148	11.3
163.14813	6.8
165.09123	4.8
165.12781	6.7
167.07082	2.4
167.10722	5.3
169.85271	2.1
170.05301	2.4
173.09657	4.3
173.13260	7.9
175.12128	19.4
175.14839	5.5
177.05544	2.7
177.09084	2.5
177.12784	5.7
177.16425	6.9
179.10658	10.4
181.12262	19.7
183.11774	3.1
187.14868	7.1
189.12677	2.9
189.16403	6.0
193.12209	4.9
193.15903	2.2
197.13309	2.5
201.16371	4.3
203.14464	2.9
205.12097	2.8
213.05963	2.1
226.18095	3.2
245.15385	2.7
257.22656	4.3
259.16876	4.6
259.24240	4.1
267.21057	5.5
269.22672	2.8
275.23697	3.9
285.22217	6.9
287.16168	3.2
287.23718	6.3
291.19662	3.8
303.23145	16.7
305.17590	4.0
305.24835	6.9
321.20731	2.6
321.24280	9.6
419.28287	2.7
429.29968	6.9
437.28970	5.7
447.31049	8.4
465.27805	13.3
483.30011	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	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	1.2
55.05516	18.8
57.03448	7.2
57.07081	9.4
58.97350	0.7
61.30562	0.8
67.05510	3.5
69.07072	23.6
69.54945	4.0
69.55347	1.7
71.08643	7.9
76.41656	1.1
77.32962	0.8
79.05495	2.2
81.07069	4.7
83.04976	1.1
83.08623	18.5
85.10190	2.3
93.07054	2.6
95.08611	3.5
97.06541	2.8
97.10173	12.3
98.21487	1.1
98.98474	8.5
107.08585	1.9
109.10204	0.8
111.11727	3.6
121.10168	3.6
135.11740	2.1
147.04419	0.9
155.01048	4.4
230.91623	0.8
262.02734	0.7
281.09641	0.8
282.84796	0.7
311.25818	100.0
312.26099	2.3
322.31143	0.8
345.98883	0.8
447.25125	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	482.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.8
57.07066	3.1
59.11158	1.6
63.35043	1.9
64.41631	1.6
67.05505	15.0
69.07074	6.1
70.09328	6.5
70.09740	3.4
79.05508	13.4
81.03431	3.4
81.07061	15.8
83.04993	4.9
83.08617	10.5
89.06012	2.5
90.55810	1.7
91.05480	14.1
93.07043	15.1
95.04974	21.8
95.08616	10.8
97.06542	4.4
97.10165	4.1
98.20818	2.9
105.07053	16.8
107.04947	5.1
107.08566	10.2
109.06509	2.5
109.10162	7.3
111.08096	2.6
117.07023	5.8
119.08605	12.7
121.06525	2.5
121.10165	6.7
123.08116	2.2
123.11743	2.2
125.09646	4.5
131.08580	8.2
133.10143	14.4
135.08041	4.4
135.11745	3.7
145.10138	10.4
147.04402	2.7
147.08040	3.1
147.11728	6.0
149.09636	15.0
151.11235	2.7
159.11697	8.3
163.07515	3.4
163.11182	15.0
169.10350	2.1
171.11671	4.2
173.11725	5.8
173.13245	3.8
175.11249	2.3
177.09209	2.1
181.12408	2.0
189.11249	4.2
197.13275	3.0
223.13292	19.4
229.19609	3.4
239.18021	7.3
247.20633	2.2
257.19040	14.5
275.20078	100.0
293.21143	42.4
325.61105	1.8
387.43936	1.8
474.69815	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38560	0.3
55.05496	0.5
57.03434	0.7
62.54795	0.4
66.37191	0.5
69.03430	1.6
70.06593	0.6
70.83495	0.8
70.83860	0.9
71.04995	1.2
72.08160	0.6
85.02917	3.7
87.04488	0.4
97.02889	1.5
114.10288	0.7
123.04432	0.4
127.03921	1.0
136.07556	0.7
137.02338	0.6
137.05965	1.6
138.06334	0.6
138.09216	0.4
139.03862	0.6
147.04404	0.5
153.01842	2.1
154.02167	0.6
155.02350	0.6
161.05994	0.7
164.07098	1.2
175.03719	2.0
185.04225	1.1
201.24625	0.4
245.04535	0.5
246.04703	0.4
259.29443	0.4
303.04880	0.5
319.04449	6.7
320.04849	5.6
321.05038	14.6
322.05392	0.4
331.10013	7.0
332.15607	0.5
337.08969	2.5
483.14786	100.0
484.15240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.5
55.05502	5.1
57.03440	6.9
61.02902	2.3
65.57343	1.0
67.05497	7.4
67.32983	1.0
69.03430	7.7
69.07049	4.0
69.29429	5.7
69.29858	5.5
70.06588	1.5
71.04993	3.5
73.02904	1.2
78.45210	0.9
79.05487	8.2
81.03423	36.1
81.07063	13.2
83.04977	7.0
83.08629	11.9
85.02904	16.0
85.06548	1.3
86.09719	1.1
87.04462	2.5
89.03903	3.0
91.05482	13.3
93.07050	10.1
95.04980	12.9
95.08619	5.9
97.02914	7.9
97.06525	2.7
98.20739	2.7
99.04419	1.2
105.07034	8.1
107.04948	4.5
107.08601	6.3
109.02879	2.1
109.06523	3.7
109.10160	2.6
110.07205	1.1
111.08068	4.4
113.06013	1.4
114.29355	1.1
115.03937	3.7
117.03400	3.8
119.08602	8.8
120.08121	2.1
121.10155	6.5
123.08085	1.9
123.11674	1.1
125.06013	3.8
127.03937	2.3
129.07013	4.6
131.08583	5.1
133.04956	2.8
133.06529	1.2
133.10138	6.2
135.04417	9.7
135.11707	2.9
136.03947	21.5
137.04340	1.0
137.06032	1.6
139.03914	2.1
142.07744	2.0
145.02852	6.1
147.04411	2.2
147.08043	2.1
147.11716	4.9
149.09607	2.0
153.05475	9.8
153.12753	12.6
154.04996	10.3
154.06238	3.2
157.10190	7.3
163.03911	56.2
164.04221	1.2
165.12787	2.5
166.08594	1.9
167.07014	1.0
171.13768	1.2
175.11195	8.4
177.05470	2.2
185.08105	14.8
193.12265	28.9
211.13312	20.3
232.92200	1.0
237.25296	0.9
255.67831	1.1
267.15912	11.7
280.08063	2.8
285.16977	100.0
286.17297	1.2
287.11429	1.3
298.09271	6.3
447.22461	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05515	2.3
57.03228	0.4
57.03440	4.5
57.07079	0.6
59.05010	2.1
61.02919	1.0
67.05505	1.8
69.03073	0.8
69.03434	14.3
69.07076	2.2
70.06589	1.3
71.05000	12.6
71.15076	0.8
73.02924	2.5
73.06561	3.2
79.05504	3.3
81.03416	4.2
81.07063	15.5
83.04985	1.0
83.08616	1.9
85.02908	13.4
87.04478	9.9
91.03988	0.5
91.05505	2.2
93.07053	11.0
95.04973	2.1
95.08620	2.0
97.02899	16.1
97.06532	2.0
99.04454	0.9
105.07026	1.3
107.04974	0.7
107.08601	9.8
109.02904	0.8
109.06462	0.6
109.10178	2.7
111.04424	0.5
111.08084	1.2
115.03938	21.4
119.08582	1.2
123.04427	0.6
124.07616	0.8
127.03948	3.0
129.07002	0.5
131.08635	0.7
133.04974	18.8
133.98918	0.4
134.57182	0.4
135.11693	16.9
137.02338	0.5
137.05933	0.9
139.03836	0.5
145.04979	3.5
147.04381	0.7
147.11661	0.8
153.12755	100.0
154.13072	1.2
157.10104	0.6
163.03929	0.6
163.06065	0.5
167.07065	0.5
169.05028	0.5
171.13808	1.0
175.11182	0.8
180.10217	0.6
187.06145	0.6
193.12219	2.9
211.13330	3.0
220.26283	0.4
241.07063	1.3
258.04813	0.6
259.08194	2.6
259.14676	0.4
267.15948	1.4
277.09222	1.4
277.40710	0.5
285.16989	12.5
285.20193	0.6
288.47809	0.4
289.14844	0.8
295.10376	3.1
302.04263	1.0
303.04483	3.1
303.17813	0.5
304.04663	1.9
305.05106	3.3
310.13043	0.5
317.06451	2.3
318.06915	5.5
319.07053	5.2
320.07425	8.8
442.02234	1.3
482.19049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05515	2.3
57.03228	0.4
57.03440	4.5
57.07079	0.6
59.05010	2.1
61.02919	1.0
67.05505	1.8
69.03073	0.8
69.03434	14.3
69.07076	2.2
70.06589	1.3
71.05000	12.6
71.15076	0.8
73.02924	2.5
73.06561	3.2
79.05504	3.3
81.03416	4.2
81.07063	15.5
83.04985	1.0
83.08616	1.9
85.02908	13.4
87.04478	9.9
91.03988	0.5
91.05505	2.2
93.07053	11.0
95.04973	2.1
95.08620	2.0
97.02899	16.1
97.06532	2.0
99.04454	0.9
105.07026	1.3
107.04974	0.7
107.08601	9.8
109.02904	0.8
109.06462	0.6
109.10178	2.7
111.04424	0.5
111.08084	1.2
115.03938	21.4
119.08582	1.2
123.04427	0.6
124.07616	0.8
127.03948	3.0
129.07002	0.5
131.08635	0.7
133.04974	18.8
133.98918	0.4
134.57182	0.4
135.11693	16.9
137.02338	0.5
137.05933	0.9
139.03836	0.5
145.04979	3.5
147.04381	0.7
147.11661	0.8
153.12755	100.0
154.13072	1.2
157.10104	0.6
163.03929	0.6
163.06065	0.5
167.07065	0.5
169.05028	0.5
171.13808	1.0
175.11182	0.8
180.10217	0.6
187.06145	0.6
193.12219	2.9
211.13330	3.0
220.26283	0.4
241.07063	1.3
258.04813	0.6
259.08194	2.6
259.14676	0.4
267.15948	1.4
277.09222	1.4
277.40710	0.5
285.16989	12.5
285.20193	0.6
288.47809	0.4
289.14844	0.8
295.10376	3.1
302.04263	1.0
303.04483	3.1
303.17813	0.5
304.04663	1.9
305.05106	3.3
310.13043	0.5
317.06451	2.3
318.06915	5.5
319.07053	5.2
320.07425	8.8
442.02234	1.3
482.19049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
56.96558	0.8
57.03458	0.9
60.40274	0.5
61.02915	1.0
69.03413	1.8
70.00657	3.2
70.06582	1.7
79.05497	0.8
81.03410	3.4
81.07018	0.8
83.08609	1.3
85.02911	3.9
87.04507	0.7
91.05454	1.6
93.07043	1.6
95.04966	1.8
95.08630	0.6
97.02895	1.4
98.97581	0.8
99.27987	0.6
105.07056	1.5
107.04939	1.8
109.02877	1.3
109.06550	0.9
120.59543	0.6
121.06519	1.6
121.16730	0.6
123.04453	3.2
127.03909	1.8
130.90459	0.8
131.08612	0.8
132.04443	0.9
133.06531	0.9
137.05972	2.3
139.03912	0.7
141.05472	1.3
142.77312	0.6
147.04465	1.2
149.05984	2.8
149.09590	0.8
158.05992	0.9
161.05971	1.1
165.05475	0.7
167.07045	100.0
168.07475	1.1
177.05534	1.3
179.07013	0.7
181.08612	2.5
182.15451	0.7
184.13293	0.7
193.08626	4.2
193.12312	3.1
209.08224	0.7
210.14934	1.1
211.09659	9.5
227.09058	1.4
229.10719	6.3
233.97763	0.6
242.08215	1.1
243.08423	0.9
260.37033	0.6
267.15912	1.8
274.93878	0.6
285.13718	1.0
285.16989	4.3
302.19553	1.4
303.14395	23.3
339.11090	0.9
464.24606	3.4
482.16504	3.6
483.15210	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65624	0.3
53.03941	1.0
55.01870	0.7
55.05516	1.9
57.03237	0.3
57.03446	3.2
59.04992	0.3
60.76044	0.3
61.02917	1.1
67.05502	3.4
69.03432	3.4
69.07083	1.5
70.06582	0.9
71.05016	1.6
71.59264	0.5
71.59645	0.5
73.02916	0.7
77.03928	0.4
78.35446	0.3
79.05496	3.6
81.03423	12.7
81.07063	4.3
81.24245	0.3
83.04975	2.5
83.08618	4.3
84.63450	0.3
85.02428	0.5
85.02909	6.8
85.06569	0.4
86.09718	0.4
87.04476	0.7
89.03924	5.7
91.03930	0.3
91.05486	5.2
93.07049	3.0
95.01313	0.9
95.04971	4.9
95.08611	2.1
97.02894	4.2
97.06548	0.9
98.42052	0.3
103.04015	0.4
105.07042	3.3
107.04956	3.6
107.08579	1.6
108.04475	0.6
109.02880	1.4
109.06516	1.4
109.10117	0.9
110.03661	0.9
110.07154	0.5
111.04440	0.8
111.08092	1.8
115.03899	1.5
115.05473	0.6
117.03389	6.8
119.04881	0.6
119.08578	3.0
120.08086	1.5
121.06532	0.6
121.10146	1.5
123.11703	0.5
124.07603	1.6
125.06004	3.9
127.03929	1.6
127.07523	0.3
129.07039	1.7
131.04936	0.6
131.08556	1.7
133.04959	1.1
133.06483	0.6
133.10161	2.3
135.04420	18.4
135.11719	0.9
136.03943	15.9
137.02321	0.4
137.05966	0.8
137.13281	0.4
138.09131	1.7
139.03911	1.1
142.07779	0.5
145.02849	11.8
145.04788	0.5
145.10147	0.5
147.04362	2.1
147.08000	0.5
147.11688	2.4
149.09636	1.3
151.03951	0.4
151.07513	0.4
153.05478	6.4
153.12750	4.2
154.04990	7.4
154.06258	2.6
157.10138	2.2
158.06021	0.4
163.03911	100.0
164.04243	1.1
165.12817	0.6
166.08649	4.3
167.06973	0.6
170.05757	0.6
171.13876	0.4
175.11185	2.9
177.05443	0.6
181.04977	1.5
184.09656	0.9
185.08098	11.5
186.05521	0.5
193.12248	8.8
207.06422	0.5
211.13315	8.1
211.30762	0.3
231.06456	0.7
237.02847	0.4
249.14784	0.4
267.15927	4.1
280.08173	2.7
285.16977	33.9
288.12381	0.8
298.09213	5.0
307.08047	1.0
310.12930	1.0
315.07129	0.4
319.04541	0.7
320.04861	2.2
325.09189	0.7
447.22333	0.7
464.17444	0.4
482.10333	0.4
482.16748	0.5
482.28748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3316
Annotation	Kermadecin E
Peak:m/z	Relative Intensity
55.01870	1.0
55.05507	2.3
57.07075	1.5
61.03525	0.7
65.08636	0.8
67.05509	8.2
68.99791	3.0
69.07069	24.1
69.34103	7.5
71.08619	1.4
79.05482	2.5
81.07065	8.2
83.01357	1.8
83.08621	1.6
85.81039	0.8
91.05460	4.9
93.07058	2.5
95.04990	1.9
95.08623	6.7
97.10176	0.8
105.07070	0.9
106.96377	0.9
107.04936	3.0
107.08585	2.4
109.06535	4.6
109.10170	4.3
113.78161	0.7
117.07015	1.1
119.04934	6.6
121.06506	5.3
121.10145	1.7
123.04431	57.9
124.93746	0.9
126.35443	0.8
131.08496	1.0
135.04427	1.0
135.08061	6.3
137.05983	70.3
145.06422	0.9
147.04408	30.2
149.05984	35.3
149.09616	3.2
151.07559	2.2
159.08051	1.1
162.06737	1.4
163.07549	100.0
164.07942	1.3
177.09119	63.2
182.72850	0.8
191.10686	15.3
205.12210	2.7
215.25313	0.7
240.32764	0.8
301.21695	1.5
329.17441	3.4
343.18677	1.6
413.26770	2.1
425.26880	84.1
426.27097	2.3
481.22821	1.5
481.33047	7.7
481.39166	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	481.0982
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
50.69472	0.4
53.03936	0.5
55.01866	0.7
57.03434	1.0
61.02924	2.9
67.05504	0.6
68.99796	1.0
69.03432	3.3
69.86484	1.1
69.86897	1.4
70.06599	1.0
71.04998	0.5
72.08146	0.6
73.02926	1.0
77.73170	0.4
79.05516	0.8
81.03408	1.6
81.07036	0.4
84.21413	0.4
85.02430	0.7
85.02911	11.3
91.03954	1.2
91.05470	0.9
93.07063	0.5
94.04179	1.5
94.06615	0.4
95.04982	0.7
95.08613	0.7
96.35299	0.4
97.02897	3.0
99.04483	0.5
107.04951	1.0
109.02914	2.2
109.06466	0.5
111.00797	2.2
111.04441	0.6
114.10270	1.1
121.06491	0.4
122.03633	2.1
125.15123	0.4
127.03956	2.3
135.04387	0.6
136.07593	1.5
137.02347	3.3
137.05983	28.7
139.03902	1.3
145.04947	2.5
147.04456	1.3
149.05945	0.6
151.03914	0.5
151.07533	0.5
153.01849	9.1
153.05507	0.8
153.06934	0.4
157.95003	0.4
161.06007	1.3
165.01843	3.3
165.07030	0.7
166.02574	0.6
167.07133	1.0
175.00044	0.4
179.03416	1.2
183.02885	1.0
189.05571	0.8
191.03400	1.0
192.10161	0.8
193.01392	0.4
194.07220	0.7
199.03877	0.5
199.07735	0.5
205.06590	0.7
208.20255	0.5
211.07684	0.6
217.05016	4.0
221.06061	1.0
222.06808	0.7
225.09122	0.9
229.05008	0.4
237.09138	0.9
239.07117	0.7
245.04465	4.8
251.06630	0.4
253.08530	0.6
255.02826	0.8
263.05609	0.9
265.08612	3.0
267.10266	0.8
272.07611	0.5
273.03925	4.2
283.10074	0.4
285.11227	1.8
287.13702	0.5
290.04236	0.9
297.11264	3.9
301.03513	0.8
301.07043	0.9
301.11734	1.3
306.18521	0.4
309.11359	0.5
315.12299	5.3
319.04507	100.0
320.05035	1.3
445.16443	0.6
463.17514	1.1
481.17111	1.6
481.26169	7.8
481.36856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05505	10.7
57.03453	2.5
57.07082	6.9
60.36438	1.9
62.06090	23.8
67.05505	13.6
69.07072	19.1
71.08621	2.3
71.59156	2.9
74.33345	2.0
79.05485	4.5
81.07061	9.6
82.11686	2.3
83.08641	11.4
85.14825	2.0
93.07047	5.6
95.05003	2.9
95.08614	12.4
97.10160	6.7
98.06093	2.9
98.98457	6.5
107.08607	3.6
109.10143	4.3
121.10149	4.5
135.11684	3.8
155.01028	5.6
247.24271	3.0
265.25330	3.5
308.29446	42.0
322.88797	2.2
339.28964	100.0
419.25491	5.9
462.29755	4.4
480.30615	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	480.3089
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05265	0.7
55.05513	11.4
56.96557	0.7
57.03445	6.6
57.06860	0.5
57.07074	5.1
61.02946	0.9
62.06078	0.6
67.05503	9.4
69.07074	17.2
69.07449	1.0
69.47295	2.1
69.47729	2.8
71.04970	0.8
71.08627	1.8
79.05511	4.1
81.07051	10.2
83.08623	10.4
85.02885	0.6
85.10165	1.5
91.05470	0.6
93.07040	5.6
95.08612	10.0
97.06540	1.5
97.10173	7.0
98.98460	0.6
107.08626	3.8
109.10170	4.4
111.08069	0.8
111.11734	1.6
119.08559	0.7
121.10151	5.6
123.11723	2.1
124.01575	0.7
125.09669	0.9
135.11703	4.7
146.99626	0.6
149.06006	0.6
149.13242	1.7
150.58392	0.6
163.14905	0.6
178.08966	0.5
216.06277	0.7
265.25351	1.0
268.09433	0.9
285.10089	1.3
308.29456	4.4
315.11081	0.9
315.61148	0.8
317.17645	0.9
324.61423	0.8
339.28961	100.0
340.29233	1.8
454.72272	1.2
455.22388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86629	1.1
55.01891	1.6
55.05499	1.6
57.03441	21.8
57.07066	2.6
59.05000	5.8
60.04518	2.1
61.02956	1.4
67.05512	4.6
69.03433	83.6
69.07072	46.1
69.28106	3.2
69.28511	12.2
70.06580	2.1
71.04987	3.0
73.02927	2.8
75.04474	4.6
79.05505	1.8
81.03426	2.1
81.07065	15.0
85.02910	52.4
87.04474	61.5
91.05505	2.7
93.07055	2.4
95.04987	2.1
95.08620	5.4
97.02900	85.1
98.21538	2.8
99.04488	4.5
105.07052	2.9
107.04992	1.8
107.08624	1.6
109.06548	2.4
109.10151	7.1
111.22146	1.5
115.03940	96.6
117.07022	1.5
119.05003	1.3
119.08567	1.9
120.49861	1.2
121.10145	3.2
123.08058	1.6
123.10816	3.0
123.11713	50.4
126.05472	1.4
127.03951	5.4
129.05548	1.3
131.08466	1.4
133.04976	100.0
133.10110	1.4
137.05984	4.9
145.04965	6.4
149.05991	1.5
150.07617	3.4
151.09962	2.1
151.11189	44.8
165.09158	2.2
169.04909	1.7
169.12262	6.1
169.15918	2.4
173.13249	2.6
201.12833	2.6
219.13861	5.9
241.07126	1.5
247.13326	7.1
259.08170	4.8
265.14365	3.4
277.09412	2.5
283.15347	8.5
292.54514	1.5
295.10229	2.7
313.16425	4.4
480.26474	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	479.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05508	1.7
57.03415	0.3
57.07070	0.4
59.34797	0.2
65.03928	0.2
67.05174	0.3
67.05508	4.3
67.35017	0.2
69.03429	0.4
69.07081	1.8
69.35107	0.6
69.35510	1.8
71.04989	0.3
71.08633	0.2
75.83379	0.2
76.04849	0.2
77.71012	0.2
79.05494	1.4
81.03412	0.5
81.07065	6.8
83.04975	0.7
83.08619	1.2
85.02901	0.3
85.06536	0.7
91.05470	1.3
93.07060	1.5
95.04948	0.6
95.08048	0.4
95.08608	3.8
97.06493	0.3
97.10165	0.7
99.08080	0.6
100.36071	0.3
105.07034	0.6
107.04947	0.5
107.08601	1.6
109.06538	0.4
109.09455	0.4
109.10160	5.2
111.11690	0.5
117.07018	0.3
119.08588	2.8
121.06509	0.7
121.10126	0.7
122.07310	1.2
123.08061	0.3
123.11710	2.3
125.09630	0.6
131.08557	0.4
133.10139	0.4
135.11694	0.6
137.05994	0.3
137.09621	10.0
137.13251	0.8
145.10049	0.3
149.08611	0.3
149.09618	1.8
149.13242	1.6
153.12738	0.4
154.61629	0.3
165.09120	100.0
166.09421	1.1
167.07108	0.3
167.14287	0.4
175.11121	0.2
177.09145	0.5
179.10680	0.6
190.09868	0.3
191.10667	0.4
193.12221	0.3
203.10616	0.3
205.12257	5.4
245.15163	0.2
259.16986	0.3
277.10760	0.3
279.26764	0.3
289.21594	1.2
291.26813	1.2
309.27927	1.7
335.56946	0.2
369.23386	0.3
387.24524	0.8
405.25528	0.3
443.29001	0.2
443.35242	1.5
450.61826	0.2
461.28183	1.0
461.36176	0.3
479.29623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01877	1.8
55.05501	3.4
57.03440	3.0
58.01263	0.9
58.99590	1.1
61.02920	2.3
65.03931	1.4
67.05511	6.9
69.03433	4.0
69.07066	5.7
69.90869	2.3
69.91286	3.6
70.06589	2.1
71.04984	2.9
72.08150	1.2
73.02881	1.1
79.05493	7.4
80.05018	4.9
81.03407	5.6
81.07050	8.0
83.04967	3.2
83.08617	3.4
85.02914	4.8
86.06108	1.0
89.03914	1.2
91.05491	10.5
92.05808	1.9
93.07041	10.0
95.04970	6.4
95.08609	14.0
97.02914	5.9
97.06545	3.0
99.04451	3.3
105.07041	3.4
107.04951	5.2
107.08606	10.1
108.04557	1.5
108.38468	0.9
109.02903	3.7
109.06496	1.5
109.10155	19.1
110.18958	0.9
114.03785	3.9
114.10279	1.2
117.03412	2.0
117.07020	3.5
119.04945	16.4
119.08559	5.1
120.05270	5.1
120.08125	1.2
121.02926	2.3
121.06514	2.3
121.10152	5.4
122.03654	2.3
123.11723	4.3
124.07622	3.4
127.03915	3.3
132.04451	4.1
133.10089	2.5
135.04507	1.3
135.08084	1.4
135.11699	22.8
137.05966	18.0
139.03937	2.5
142.03223	28.1
145.02838	6.4
145.10133	11.2
147.04413	64.9
148.04741	27.4
151.11186	3.6
156.10211	5.5
163.03934	4.4
163.11185	30.0
165.05498	1.3
167.07059	1.2
170.02705	3.6
170.05725	1.4
171.06262	1.8
175.03902	2.4
177.05490	12.4
181.04893	1.1
181.12250	7.0
188.03780	4.6
189.05434	1.5
207.06564	2.0
208.06958	2.0
227.12778	43.5
283.15411	100.0
302.04428	1.5
303.04498	5.1
310.09909	1.1
314.06946	2.7
317.06622	5.6
318.06970	11.8
318.15616	1.9
340.17435	2.0
445.20685	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1902
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
50.06437	0.4
51.71467	0.4
55.01851	0.6
55.05507	2.1
56.05840	0.5
57.03430	0.7
67.05511	3.8
69.03413	0.9
69.07080	1.4
69.61510	4.0
70.06618	0.7
79.05505	2.8
80.05843	0.7
81.03439	0.7
81.07057	4.1
82.07375	0.5
83.04981	0.7
83.08626	0.6
85.02888	0.6
91.03992	0.6
91.05489	1.6
93.07043	2.2
95.04979	1.7
95.08625	2.5
96.08984	0.5
97.02901	0.5
97.06524	0.6
97.10146	0.7
98.21449	1.0
105.07029	2.0
107.04947	1.3
107.08607	1.7
109.06516	1.0
109.10153	2.1
110.10493	0.6
111.08105	0.7
117.07015	0.8
119.08613	1.5
121.06534	1.4
121.10147	1.3
123.04508	0.7
123.08082	0.6
129.05530	0.4
129.06969	0.6
131.08557	1.1
133.06474	0.8
133.10130	0.9
135.08083	1.2
135.11739	1.0
137.06020	1.1
137.09641	1.8
138.09993	0.7
140.06369	0.4
145.06525	0.6
145.10161	0.7
147.04459	0.6
147.08041	0.6
147.11748	0.9
149.09586	0.5
151.07542	0.6
151.11186	0.6
153.09071	0.5
161.05959	0.6
163.11295	0.8
165.09131	12.4
166.09450	5.1
167.07039	0.7
167.09735	0.9
187.07550	0.5
204.61690	0.5
245.07878	1.0
257.09760	0.6
275.11038	1.7
317.06549	1.1
317.13748	2.1
365.61917	0.5
387.24612	1.0
394.18091	0.5
405.25650	0.6
461.15527	0.7
461.28534	1.9
479.18930	100.0
480.19177	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1892
Annotation	Epimedoicarisoside A
Peak:m/z	Relative Intensity
55.05504	0.7
55.44737	0.3
57.07064	0.3
61.02906	0.4
67.05508	2.4
69.03435	0.7
69.07063	1.3
70.06596	0.5
70.07515	1.3
79.05487	1.3
81.03410	0.7
81.07066	3.2
83.04969	0.4
83.08619	0.6
84.04495	0.9
85.02915	0.8
85.06547	0.4
87.03809	0.3
91.05470	2.1
93.07047	1.5
95.04950	1.5
95.08611	1.4
97.06509	0.3
97.10178	0.7
105.07024	1.1
107.04964	1.0
107.08591	1.5
109.02835	0.4
109.06524	0.8
109.10160	1.2
111.08086	0.5
117.07033	0.5
119.08595	1.0
121.06477	0.4
121.10169	0.8
123.11696	0.6
125.09655	0.4
129.07065	0.4
131.04938	0.4
131.08545	0.5
133.10147	0.8
135.08011	0.3
137.05981	0.5
137.09584	0.8
137.75061	0.3
143.08546	0.5
147.08066	0.3
147.11725	0.5
149.09596	0.5
151.07516	0.6
159.11725	0.3
163.11198	0.4
164.35197	0.3
165.09140	5.7
166.09425	1.6
167.07082	0.4
177.09074	0.5
187.07611	0.5
191.10652	0.5
222.71902	0.3
245.07886	1.1
257.09973	0.7
275.11038	2.1
302.04050	0.5
317.06546	0.7
317.13556	1.6
369.24152	0.8
387.24887	0.6
461.28311	1.3
469.49609	0.4
479.18915	100.0
480.19305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	Myricetin 3,4'-dimethyl ether 3'-xyloside
Peak:m/z	Relative Intensity
52.75417	0.2
53.91875	0.2
57.03444	1.4
61.02893	0.4
69.03411	0.5
69.07049	0.2
69.49625	1.6
71.04971	0.2
73.02924	3.6
81.07081	0.2
84.65005	0.2
85.02874	0.5
85.64236	0.2
86.09691	0.4
95.04959	0.2
98.21469	0.4
107.04869	0.2
107.08554	0.2
121.02826	0.3
126.03117	0.3
133.02785	0.3
133.05011	0.2
137.02368	0.3
140.04610	0.3
147.04471	0.2
150.03117	1.8
151.03873	0.4
151.07503	0.3
151.88414	0.2
153.01830	4.8
154.08595	0.3
165.01753	0.3
167.03380	0.9
178.02612	0.9
179.03369	0.2
180.04181	0.3
183.03090	0.2
184.07304	0.8
191.03357	0.3
205.04929	0.5
215.03354	0.4
229.04967	0.8
230.05777	0.6
233.04482	1.5
243.02927	0.6
244.03630	0.9
245.04407	0.3
255.02928	0.3
257.04501	0.9
258.05273	4.3
259.06015	0.7
261.01367	0.4
261.03964	5.0
269.04379	0.5
272.03143	0.3
273.03986	0.7
274.04709	0.3
275.05420	0.2
285.03943	0.6
286.04721	2.6
287.05527	1.4
289.00513	0.4
289.03448	4.8
299.01917	0.2
300.02753	0.3
301.03473	1.9
302.04376	1.1
303.05057	1.7
304.05753	2.1
313.03433	0.5
314.04245	0.3
315.04996	2.5
316.01944	0.4
317.02997	10.6
317.06577	1.6
318.03265	0.3
331.04498	6.6
332.05276	51.4
333.05637	0.7
347.07614	100.0
348.07996	1.3
356.53558	0.2
371.57751	0.2
401.97345	0.2
469.79126	0.2
479.11859	32.7
480.12213	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53291	0.3
55.05503	0.3
56.96565	0.3
57.03421	0.4
59.04982	0.4
61.02930	0.3
61.97229	0.3
65.03931	1.4
67.05492	0.5
69.03424	0.8
69.07083	0.5
70.06587	0.6
71.04967	0.6
73.02922	0.3
76.04651	0.3
79.05490	0.6
81.03410	2.0
81.07061	0.8
83.04989	0.4
85.02914	1.1
86.09719	0.6
91.05486	9.1
93.03403	0.3
93.07047	0.5
95.08615	0.6
97.02916	0.8
97.06525	0.4
98.84103	0.3
99.04430	0.4
103.03984	0.4
105.71604	0.3
107.04957	0.8
107.08607	0.3
109.02903	0.9
109.10172	0.7
111.04459	0.7
119.04953	24.0
120.05290	0.4
127.03925	0.7
130.51080	0.3
135.04407	0.3
137.02324	0.4
137.05983	1.1
139.03915	1.2
145.02846	0.5
147.04417	100.0
148.04796	1.6
151.03879	0.7
153.01845	1.0
155.03398	0.8
163.03931	0.9
165.05525	1.9
170.05748	2.4
171.06329	1.9
175.03886	0.8
175.07486	0.3
177.05492	0.7
181.04947	0.4
195.06528	0.4
207.06540	1.9
229.05005	0.9
237.07594	0.4
246.05290	0.4
249.07632	0.9
257.04590	0.4
261.07663	1.8
273.03860	0.3
274.04715	1.4
283.15460	0.4
285.04004	0.7
291.08566	2.0
301.03445	1.0
302.04211	6.3
303.04782	0.5
309.09732	1.2
317.06583	22.9
318.07001	0.7
332.05130	0.4
333.06259	0.5
347.07666	1.2
363.28455	0.3
390.23776	0.3
468.97522	0.3
479.11041	0.4
479.17432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	Isorhamnetin 4'-glucoside
Peak:m/z	Relative Intensity
53.03943	0.4
55.05505	0.7
57.03435	1.1
58.54420	0.4
61.02932	2.5
67.05496	1.6
69.03430	2.8
69.07063	1.1
70.06598	1.2
70.30972	1.4
71.04984	0.8
72.08146	1.6
73.02912	0.9
75.04479	0.4
79.05497	0.9
81.03410	1.5
81.07057	1.5
85.02914	6.5
85.06536	0.8
87.04449	1.0
91.03931	1.3
91.05473	1.1
93.07040	1.0
95.08611	1.5
96.56135	0.4
97.02892	3.0
97.06519	1.0
97.07639	0.8
98.20830	0.6
98.92539	0.4
99.04449	0.7
105.07047	0.9
107.04927	0.9
107.08603	1.3
109.02879	1.6
109.06505	0.9
109.10159	1.6
114.10299	7.4
115.03950	0.5
119.08573	0.9
120.08102	0.5
121.02900	0.5
121.10142	0.8
122.72918	0.4
123.04416	0.8
123.08061	0.8
125.13268	0.8
127.03935	2.8
131.08549	0.4
135.11691	0.7
137.02364	1.7
137.05963	1.9
137.09561	0.5
139.03850	0.7
145.02823	1.0
145.04962	0.9
147.04416	0.7
149.05901	0.5
149.13332	1.0
151.03856	0.8
151.07578	1.7
153.01778	1.0
159.11697	0.5
161.09616	0.6
163.03915	1.0
163.07509	0.7
167.03406	0.9
177.05472	2.2
179.03401	0.5
191.03389	0.4
200.04750	0.5
204.04239	0.5
207.06548	0.5
211.07356	0.6
228.04105	2.0
229.04977	0.7
243.06540	1.2
245.04390	0.8
257.04358	0.8
271.05832	1.0
272.20172	1.0
273.03952	0.9
273.20523	1.2
274.04730	4.1
281.24893	0.7
285.04001	1.0
297.03983	0.7
299.05728	0.4
299.09189	1.2
301.03452	8.8
301.06711	0.8
302.04224	38.2
303.04764	0.8
307.07071	0.5
317.06570	100.0
318.06827	1.5
333.06345	0.6
347.07608	1.8
359.07529	0.6
438.29208	0.5
438.35837	0.5
478.28342	0.7
479.11789	22.8
479.28561	1.6
480.12537	0.8
480.34082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	Syringetin 3-xyloside
Peak:m/z	Relative Intensity
57.03429	2.5
57.17747	0.7
61.02917	2.1
63.70510	0.7
67.05506	0.7
67.88027	0.7
69.03434	1.5
70.06606	5.4
71.00270	2.0
73.02924	13.2
81.07042	0.8
85.02899	2.1
86.09717	0.8
115.03922	1.3
117.03426	0.9
119.04992	1.0
121.02876	3.0
135.06810	1.2
137.05940	1.1
139.03889	4.0
145.02861	1.9
146.06114	0.7
147.04413	1.4
153.01863	5.6
153.05495	4.2
154.06216	0.7
160.57420	0.9
165.01854	2.2
177.05507	5.6
178.02652	1.2
181.04971	0.9
183.02879	0.8
216.13876	1.3
228.04327	1.1
229.05135	1.9
231.06662	1.2
243.02757	1.2
244.03731	1.4
257.04465	1.4
258.05304	5.3
259.06122	1.4
269.04459	2.4
273.04153	1.0
274.04895	1.2
285.04092	2.0
286.04672	4.0
287.05505	8.5
289.03540	0.9
291.08612	1.8
301.03491	1.9
302.04184	16.4
303.04950	2.7
314.04404	0.9
315.04944	2.6
316.05923	0.9
317.06570	40.8
318.07150	1.0
322.66565	1.7
331.04507	4.6
332.05197	2.5
333.06033	1.9
347.07639	100.0
348.07813	1.6
408.11920	0.8
479.18433	1.0
480.18475	25.5
497.08081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	Isorhamnetin 4'-glucoside
Peak:m/z	Relative Intensity
55.01901	0.4
55.05538	0.4
56.24179	0.4
57.03473	0.4
60.69404	0.3
61.02956	0.4
67.05531	0.7
68.20134	0.4
69.03443	0.9
69.07088	0.7
69.92803	2.1
70.06634	0.8
71.05029	0.4
72.08184	0.6
73.02935	0.6
77.35287	0.4
79.05531	0.6
81.03410	0.5
81.07091	0.9
83.05006	0.8
85.02895	1.7
86.09733	1.1
91.05496	0.9
93.07091	0.7
94.65803	0.3
95.05019	0.4
95.08667	0.5
97.02936	0.7
97.06581	1.1
103.05509	0.4
105.07044	0.5
107.05005	0.6
109.02885	0.7
109.06551	0.4
109.10196	0.6
110.03667	0.7
112.08713	0.4
114.10298	1.2
120.08131	1.2
121.02917	0.9
123.04426	0.4
124.07603	0.8
125.07980	0.5
127.03921	0.7
136.07620	0.5
137.02342	1.8
137.05969	2.6
145.10146	0.4
147.04454	0.7
151.07568	0.7
153.01851	1.4
153.05487	0.4
161.05978	2.2
163.07613	0.5
166.08759	0.4
167.07076	1.1
175.07680	0.5
189.09081	0.8
191.03439	0.5
195.08080	0.4
195.10143	0.5
200.04683	0.5
203.07002	0.5
204.04224	0.6
207.10071	0.4
223.07675	0.4
228.04312	1.9
229.04942	1.5
245.04492	1.0
256.03864	0.5
257.04456	1.1
265.08536	0.5
273.03851	0.8
274.04776	3.7
283.09689	0.5
285.03992	1.3
285.11343	0.5
287.05444	0.5
299.05664	0.5
300.06177	1.7
301.03467	10.8
301.06564	1.7
302.04214	49.1
302.06900	1.9
303.04730	1.3
311.12759	0.5
315.08612	2.6
315.12082	0.6
316.05661	0.5
316.08826	1.7
317.06549	100.0
318.03638	1.4
318.06970	1.4
332.05307	0.6
333.06064	2.7
347.03586	0.5
347.07635	6.1
347.14905	0.3
357.13321	1.4
461.16107	0.6
479.11703	6.7
479.17947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.81741	0.3
53.03922	0.4
55.01867	0.6
57.03425	1.1
61.02916	1.3
69.03439	2.7
70.85381	1.0
71.05001	2.4
73.02911	0.4
81.03412	1.3
85.02911	9.0
91.03960	0.7
92.02631	0.9
93.03410	0.8
97.02889	2.8
109.02882	1.0
119.04945	0.4
121.02874	0.9
127.03919	1.7
129.05527	0.5
137.02383	0.7
139.03902	0.7
145.04959	0.9
147.04399	2.1
151.03929	0.6
153.01837	5.4
165.01871	0.4
191.20172	0.3
201.05434	0.5
203.03323	0.5
217.05008	0.9
222.19946	0.3
228.04146	1.8
229.04974	2.5
245.04373	1.6
246.05312	1.5
257.04486	2.2
261.07611	0.3
273.03922	1.8
274.04724	4.3
284.03448	0.4
285.03986	3.6
301.03488	3.1
302.04230	20.7
317.06580	100.0
318.03595	0.7
318.06897	1.3
324.50681	0.3
333.06079	7.9
443.09540	0.4
479.11789	0.4
481.36130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09637	0.1
53.03936	0.5
53.04166	0.1
55.01881	0.6
56.96539	0.2
57.03439	0.8
59.04991	0.1
61.02646	0.1
61.02929	2.4
61.95670	0.1
65.03930	0.3
67.05505	0.2
67.40445	0.1
68.22648	0.1
68.99803	0.2
69.03078	0.3
69.03432	3.9
70.06591	0.2
71.04974	0.5
73.02930	0.6
81.03426	2.0
81.07050	0.2
85.02909	10.1
85.06520	0.1
86.09718	0.1
87.04451	0.5
91.03962	1.1
91.05497	0.2
92.02625	1.1
93.03405	0.9
93.07053	0.2
95.04974	0.3
97.02895	3.5
97.06514	0.2
97.12052	0.1
99.04445	0.8
105.07006	0.2
107.04938	0.2
108.38682	0.1
109.02883	1.2
109.10099	0.1
111.00820	0.3
114.10359	0.2
115.03845	0.2
121.02869	1.4
121.10128	0.2
123.04433	0.3
126.03117	0.4
127.03933	2.0
129.06996	0.1
131.04944	0.2
137.02353	0.3
137.05960	0.3
139.03894	0.9
145.04967	1.7
151.03941	0.9
153.01831	7.6
161.06010	0.2
163.03940	0.2
165.01881	0.6
166.02640	0.1
174.47456	0.1
176.11183	0.2
177.05470	0.4
179.03400	0.1
183.02853	0.2
187.03789	0.1
190.08820	0.1
193.12274	0.2
200.04689	0.3
201.05492	0.8
203.03439	0.4
213.05481	0.2
217.04955	0.8
218.05841	0.6
219.02919	0.3
228.04160	1.4
229.04956	3.3
231.02853	0.4
243.06552	0.2
245.04523	1.3
246.05238	1.8
256.03586	0.2
257.04462	2.8
258.05145	0.2
260.03183	0.4
261.07663	0.3
263.29437	0.1
267.15976	0.2
271.06070	0.3
273.03940	2.0
274.04712	4.0
284.03128	0.6
285.03952	4.5
288.06302	0.2
299.09195	0.2
301.03467	0.3
302.04227	12.7
303.04761	0.4
317.06570	100.0
318.06891	1.2
329.06491	0.4
359.07626	0.3
479.16663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0825
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
51.63650	0.2
55.01863	0.4
56.04979	0.1
56.85321	0.1
57.03443	1.0
65.03928	0.3
67.01849	0.3
67.05514	0.3
68.99774	0.8
69.03412	0.6
70.06592	0.3
70.33391	0.3
70.33786	0.4
71.01357	1.9
72.55389	0.2
73.02920	3.2
75.04475	0.3
81.03404	0.4
81.07066	0.2
83.01347	0.3
85.02905	9.5
91.05482	0.2
93.03427	0.3
95.01330	1.2
95.04965	0.5
97.02881	0.7
99.00832	0.7
101.02354	0.5
103.03938	0.6
109.02875	0.6
111.00796	1.0
113.02374	3.3
113.05991	0.1
114.06068	0.2
114.10285	0.2
117.07066	0.2
117.56327	0.1
121.02879	1.1
123.04339	0.2
127.03930	0.3
131.03410	2.9
131.04890	0.2
135.04419	0.2
137.01346	0.3
137.02344	3.5
137.03401	0.3
137.05988	0.2
141.01825	1.9
143.05298	0.2
145.06487	0.4
149.02322	0.5
151.03906	0.2
153.01839	5.0
155.04913	0.3
159.02910	1.9
161.06039	0.4
163.03960	0.7
165.01845	2.3
166.02571	0.2
173.05994	0.4
177.05547	0.2
179.03369	0.3
183.02881	0.8
183.04472	0.4
187.03952	0.4
195.02942	0.2
201.05478	1.7
205.04916	0.2
207.05110	0.5
211.04013	0.2
213.05438	0.2
219.06490	0.3
228.04265	0.3
229.04962	5.1
239.03377	0.2
247.06073	1.0
257.04456	3.2
274.04691	1.0
275.05258	0.2
285.04022	1.4
303.04996	100.0
304.05347	2.4
315.04816	0.2
317.06512	0.3
347.07864	0.8
394.09747	0.2
455.73785	0.2
479.15329	0.6
479.24597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.49376	2.7
55.05519	14.5
55.05735	3.0
62.06102	23.7
67.05505	27.8
68.00594	2.9
69.07057	12.1
71.58496	4.8
79.05492	9.9
81.07061	28.1
83.08624	9.1
85.02863	3.0
91.05424	3.0
93.07039	10.9
95.08610	16.5
97.10195	3.5
98.98479	5.3
107.08624	7.5
107.76994	2.6
109.10138	8.5
112.71104	3.0
121.10135	4.6
123.11693	3.7
124.93731	3.0
155.00989	4.7
179.30510	3.5
203.31647	2.9
214.54158	3.2
224.56015	3.3
245.22665	4.4
286.77194	3.1
306.27939	9.8
337.27365	100.0
460.28143	5.1
478.19788	8.8
478.28760	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	478.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93141	0.5
53.03944	0.8
55.01881	1.3
55.05516	5.0
56.05036	4.3
57.03447	2.0
57.07084	1.7
58.06602	0.8
59.05003	0.5
60.04530	84.2
61.02933	3.1
65.03939	0.5
67.05509	8.0
68.05046	1.3
69.03436	7.4
69.07069	5.1
69.88410	3.0
70.06601	1.3
71.05006	1.1
71.08632	0.7
72.04522	4.5
73.02933	1.4
74.06082	5.8
79.05498	5.9
80.05027	1.0
81.03424	4.5
81.07066	9.5
82.06601	1.8
83.04988	0.9
83.08627	4.3
84.04506	3.4
84.08135	0.6
85.02914	14.4
86.06076	3.4
86.23411	0.5
87.04490	1.0
90.05556	1.1
91.03972	1.4
91.05473	3.8
93.07047	4.0
94.06578	1.1
95.04992	1.6
95.08615	8.8
97.02898	6.8
97.06510	0.9
97.10167	2.7
98.06089	1.5
98.20815	0.8
99.04461	1.0
102.05547	5.2
104.07109	2.7
105.07031	2.6
107.05015	0.7
107.08591	2.6
109.02935	1.8
109.06533	0.8
109.10162	4.1
111.04440	0.7
112.07652	0.8
114.10303	0.7
116.07109	0.6
119.08591	2.4
121.10176	1.7
123.08071	0.8
123.11739	1.5
127.03928	2.4
130.52927	0.4
131.08566	0.7
133.10184	1.4
135.11755	0.7
137.09691	0.5
138.05656	0.5
145.05023	1.2
145.06487	0.5
147.11642	0.8
149.13242	0.6
156.06573	0.6
159.11707	0.5
186.07608	0.5
188.09213	0.7
188.57365	0.5
201.12828	0.6
204.08754	0.6
206.10222	3.3
224.11314	4.4
250.25433	1.1
262.25342	1.8
268.26425	0.6
275.19998	0.5
276.89877	0.5
280.26349	10.0
298.27441	10.9
298.30743	0.9
316.28491	100.0
317.28827	2.6
340.28717	1.4
358.29590	4.6
368.22653	0.6
382.29294	0.5
386.24280	0.8
424.30798	0.7
442.31641	2.6
460.27838	0.8
460.32922	5.8
478.33853	64.1
479.34842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.31348	0.5
55.05519	8.4
56.74006	0.4
57.03443	6.5
57.07063	1.6
57.30261	0.5
59.40707	0.5
62.06068	0.6
65.03932	1.0
67.05507	19.6
69.06718	0.9
69.07072	12.8
69.93104	1.8
69.93526	0.9
71.04985	0.9
75.76588	0.6
79.05489	5.1
81.07061	18.9
83.04977	0.8
83.08624	6.0
85.06563	0.7
91.05496	3.5
93.07049	5.7
95.08609	14.9
97.06537	1.1
97.10170	3.4
105.07037	2.7
107.08620	2.9
109.10158	5.6
111.08083	0.7
117.97995	0.5
119.08599	2.3
121.10138	2.0
123.11703	1.9
133.10103	2.4
135.11737	0.9
136.52472	0.5
137.13234	0.9
147.11714	1.1
149.13217	0.7
161.13208	0.9
163.14874	0.9
175.14772	0.8
186.19229	0.5
234.62772	0.5
263.23587	0.8
282.00662	0.6
290.77386	0.6
306.27872	2.7
313.76434	0.6
337.27380	100.0
338.27759	4.0
419.54712	0.5
499.17743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48904	1.2
54.02706	1.3
54.57823	1.6
56.19919	1.4
57.03441	8.7
61.02937	1.6
65.67829	1.3
67.05515	1.8
67.75052	1.3
69.03435	2.0
69.45937	5.0
69.46354	7.9
70.06588	3.0
71.04994	64.6
73.02918	3.7
73.97289	1.6
75.04482	5.0
79.71101	1.3
83.04984	6.8
85.02907	100.0
87.04457	1.4
91.05498	2.3
93.51038	1.6
97.02884	6.2
97.06553	2.6
103.03883	1.6
111.04472	3.2
121.02879	10.7
127.03925	5.8
129.05479	51.3
141.28340	1.6
145.04947	3.4
147.06535	27.0
153.05473	11.9
175.56825	1.5
207.06636	2.6
223.09718	2.5
249.11269	1.5
255.08698	2.3
270.87711	1.6
281.14008	2.8
370.99335	1.8
410.85245	1.5
478.16177	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2797
Annotation	Epothilone G1
Peak:m/z	Relative Intensity
53.03948	2.4
55.01866	4.6
55.05515	12.5
56.05024	3.6
57.03444	5.8
60.04527	23.9
61.02922	2.1
61.90041	0.8
62.58351	1.0
64.66437	0.9
65.03918	1.4
67.05168	1.9
67.05508	26.4
67.05869	1.4
68.05040	1.8
69.03427	7.5
69.06721	1.5
69.07071	20.3
70.02964	1.2
70.06586	2.3
71.01365	1.4
71.04977	2.9
71.19424	0.9
71.32487	2.3
72.04496	1.9
73.02917	2.8
74.06071	1.4
79.05492	18.9
80.05009	4.4
81.03430	17.2
81.06578	2.2
81.07059	44.9
83.04977	7.0
83.08639	5.4
84.04507	42.9
85.02423	1.8
85.02908	25.2
85.06550	2.6
86.06092	1.1
87.04420	1.1
91.05482	18.1
93.07043	16.4
94.07269	1.0
95.04966	8.9
95.08612	27.8
96.04498	3.0
97.02884	6.8
97.06523	7.5
97.10169	3.3
98.06072	4.8
99.04454	1.7
99.08077	1.4
100.03963	1.2
102.05515	1.0
103.03941	2.8
105.07030	17.4
106.07385	1.0
107.04947	6.4
107.08606	12.1
108.04462	3.6
109.02888	7.0
109.06509	7.0
109.10162	10.1
110.06061	2.2
111.04405	2.8
111.08105	2.5
115.05408	1.2
117.07026	6.5
119.04907	1.5
119.08575	16.6
121.06522	5.0
121.10142	10.3
122.06055	1.4
123.04430	1.6
123.08070	4.9
123.11728	5.8
125.05972	1.7
125.09655	3.0
126.05509	18.8
127.03906	3.1
129.07011	3.3
131.03401	2.5
131.04950	1.7
131.08566	8.1
133.06488	3.4
133.10138	10.6
135.08072	3.7
135.11705	6.4
136.12122	1.1
137.09627	3.7
139.07539	1.2
143.08557	1.7
145.06512	2.0
145.10146	7.2
147.08064	3.1
147.11678	10.0
149.09634	7.0
149.13231	2.3
150.05486	5.0
151.11208	1.3
152.07092	3.0
155.08513	1.4
157.10144	4.4
159.08054	2.1
159.11682	4.8
161.09651	2.0
161.13316	1.8
163.11223	3.3
163.14694	1.4
164.11618	1.0
165.09167	1.4
165.12785	2.4
168.06602	3.1
169.10017	1.6
173.09773	1.2
173.13232	1.5
175.11212	2.9
175.14813	1.1
177.12730	3.2
183.11711	1.5
185.13258	1.0
186.07648	9.3
187.11208	2.2
187.14819	1.4
189.09109	1.5
193.12251	2.1
197.13277	1.1
199.09653	1.8
201.12662	1.1
211.09494	1.1
218.15958	1.0
219.05005	1.1
224.11411	1.4
225.62590	1.0
229.19566	1.3
233.15469	1.5
239.17882	1.5
245.15359	2.0
247.20567	1.8
257.18927	2.3
260.80911	1.0
261.14780	1.3
263.16458	4.1
265.21692	2.4
275.20065	23.9
280.26367	2.0
282.20480	1.0
293.21161	6.1
298.27466	2.9
313.21387	1.6
316.28455	22.8
317.21030	6.1
326.69699	1.1
331.22659	2.6
334.36044	1.1
335.22479	1.1
341.21115	2.9
359.22192	6.7
364.34409	1.0
377.23199	17.8
386.23941	1.3
395.24506	6.6
442.25922	2.2
460.27002	16.6
460.32922	1.5
478.28009	100.0
478.33878	10.8
479.28424	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01867	7.2
55.05514	43.0
57.03444	6.2
60.48385	1.0
65.03931	3.0
67.05505	37.7
69.03436	8.8
69.07067	10.2
70.66357	3.3
71.04985	3.3
72.54409	1.2
79.05495	39.5
80.04821	1.1
81.03416	10.9
81.06581	1.7
81.07059	35.2
83.04982	6.7
83.08618	20.0
85.06544	2.9
88.17296	1.2
91.04952	2.2
91.05483	22.0
92.16884	1.4
93.07051	20.2
95.04966	13.8
95.08604	13.9
97.06530	4.7
97.10172	41.6
103.05491	1.9
105.07036	18.3
107.04959	29.4
107.08599	24.7
109.02877	2.1
109.06511	9.4
109.10163	13.8
111.08083	3.1
115.05456	3.3
117.07021	10.3
119.04928	1.2
119.08575	15.3
121.06519	19.8
121.10160	4.7
123.04459	2.8
123.08098	6.2
123.11733	3.5
125.05993	1.6
125.09633	32.4
128.06210	2.0
128.07690	1.3
129.07022	10.0
131.04951	4.1
131.08582	11.8
133.06525	8.9
133.10136	6.9
135.04459	1.4
135.08060	9.6
135.11708	3.8
137.05980	2.5
137.09601	12.6
141.07005	3.0
143.08530	7.5
143.10649	1.7
145.06490	14.0
145.10115	6.4
147.04379	2.4
147.08040	6.5
147.11693	5.8
149.06050	1.4
149.09641	3.4
151.07599	2.8
153.09102	8.2
153.12743	2.7
155.08577	3.9
157.06514	2.7
157.10156	6.5
159.08080	5.2
159.11687	3.6
161.06023	3.1
161.09625	4.9
163.11214	5.0
165.09117	100.0
167.07076	1.2
167.08556	2.0
169.10162	4.4
171.08109	4.3
171.10211	1.7
171.11714	3.7
173.09671	3.7
173.13292	2.3
175.07613	1.8
175.11224	3.7
177.12752	2.4
181.10176	2.7
183.07967	1.7
185.09624	2.7
185.13272	2.7
187.11205	3.3
187.14842	2.4
189.09485	2.3
189.11252	20.2
189.12823	4.1
191.10527	1.5
193.12222	8.6
195.11804	1.8
197.09657	2.1
197.13292	3.6
199.11234	3.4
205.10301	1.3
205.12303	3.5
209.13306	1.6
211.11319	1.3
211.13293	3.3
213.12823	3.0
215.14311	4.6
217.12253	3.5
221.11697	1.2
223.11357	1.4
223.13345	2.8
225.12831	2.1
227.12485	5.5
227.14621	2.0
231.13831	3.7
233.15370	10.8
235.13347	4.3
237.12741	3.3
240.59784	1.2
241.14388	5.1
243.13846	2.3
245.15405	3.2
249.14833	1.9
255.13867	4.3
259.13275	3.2
267.15964	3.3
271.16867	3.1
273.14801	14.0
275.16357	1.4
287.16452	1.9
291.15851	2.6
300.06186	6.3
307.26373	3.7
315.08667	11.9
315.15503	1.4
316.08792	1.4
321.22150	1.9
339.23325	7.5
349.21603	17.0
357.24078	7.4
367.22705	57.4
368.23224	1.3
375.25363	1.5
385.23743	87.8
386.24091	2.7
403.24823	22.4
421.26013	1.6
423.25079	2.1
441.26630	8.1
459.27444	63.6
460.27631	2.6
477.18088	9.1
477.28488	50.1
478.28220	1.7
481.66672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1396
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
52.24530	0.2
55.01871	0.4
55.05502	0.5
57.03434	0.5
59.05000	0.4
61.02914	0.5
67.05483	0.5
69.03431	1.4
69.71876	0.6
69.72291	1.1
70.06573	0.3
71.04975	0.3
79.05489	0.4
81.03400	0.9
81.07077	0.3
85.02908	3.2
91.05494	0.4
95.01282	0.3
95.04945	0.3
95.08593	0.5
96.08117	0.5
97.02866	1.1
97.06504	0.6
97.10136	0.3
99.04467	0.4
107.04923	0.3
109.02873	1.6
110.09690	0.5
111.04353	0.3
112.09406	0.2
117.12552	0.2
119.40144	0.2
120.61871	0.3
121.02877	2.2
124.07592	10.5
127.03922	3.8
132.04434	1.6
138.09120	1.3
143.94499	0.2
145.04955	0.9
149.09621	0.4
158.44307	0.3
166.08656	4.4
184.09718	2.7
201.05533	0.4
224.03192	0.5
226.06160	0.4
227.04878	0.2
227.07051	0.6
229.04910	3.2
243.06496	0.7
254.05997	0.3
257.04486	5.8
270.05286	0.3
271.06052	4.4
272.06784	3.7
274.10779	0.5
292.11792	1.8
299.05530	11.2
299.08990	0.6
300.06296	49.7
301.06738	0.6
310.12842	5.2
315.08627	100.0
316.09018	1.7
328.13959	2.8
346.14880	0.3
474.92175	0.3
477.17770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1394
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.98579	0.4
59.34376	0.4
62.28979	0.3
69.96307	2.1
72.31592	0.4
107.35950	0.3
121.02846	1.4
152.39297	0.4
165.09058	0.6
186.11786	0.3
227.07088	0.5
229.04968	2.9
243.06538	0.5
257.04434	4.6
270.05225	0.5
271.06024	5.3
272.06778	3.7
299.05508	10.6
300.06299	50.2
315.08633	100.0
316.09042	0.7
385.22852	0.5
477.13971	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	477.1396
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03948	0.5
55.01854	0.6
55.05500	1.0
56.96550	1.3
57.03420	1.3
58.09143	0.4
59.85499	0.3
61.02909	0.9
65.00997	0.4
65.33080	0.4
67.05521	2.0
69.03437	3.1
69.07058	0.6
70.06584	1.6
70.88701	1.1
71.04976	0.7
73.02912	1.2
75.80902	0.4
79.05479	1.4
80.24168	0.4
81.03409	1.4
81.07034	1.3
83.04961	0.3
84.04501	0.6
84.08117	0.4
85.02910	4.0
87.04467	0.4
91.03928	0.6
91.05480	1.1
93.07031	0.5
95.01329	1.1
95.04938	0.8
95.08589	1.2
96.28002	0.4
97.02882	1.5
98.97585	3.9
104.13640	0.4
105.07071	1.0
107.04929	1.3
107.08617	0.8
109.02885	1.3
109.06513	0.6
109.10168	2.2
111.08064	0.6
116.98627	3.6
117.06982	0.8
119.04990	0.4
119.08601	1.0
121.02831	1.1
121.06505	0.7
121.10188	0.6
122.03622	0.7
123.04401	0.5
124.07587	0.6
127.03921	0.9
131.04982	0.5
133.06456	0.5
133.10112	0.6
134.99632	1.1
135.22127	0.4
136.07590	0.5
137.05977	6.6
137.09657	0.4
138.06412	0.4
145.04945	0.6
145.06493	0.5
146.99733	0.6
147.04405	0.7
147.11798	0.5
149.05952	0.4
151.03905	0.7
151.07520	0.5
153.05466	0.6
158.99687	1.0
159.07997	0.4
161.01248	0.4
161.06053	0.5
161.09641	0.4
162.05431	0.8
163.03923	1.0
163.07541	1.1
166.08684	0.5
169.06436	0.7
173.11725	0.7
174.06723	0.5
175.07495	0.6
177.00706	1.8
177.05487	0.6
181.06567	0.6
183.13800	0.6
187.03845	0.4
189.09029	1.0
197.01175	0.6
197.05997	0.8
198.06758	3.4
203.03313	0.6
215.09277	0.5
219.01889	0.4
219.10231	1.1
226.06291	2.9
226.17421	0.6
229.14264	0.7
237.02994	0.7
254.05743	22.2
269.04373	0.7
270.05069	0.4
271.06021	2.8
281.04517	4.2
282.05219	9.4
282.08826	0.7
282.09390	0.7
283.05984	1.6
286.04620	2.1
290.59317	0.6
297.08780	0.9
299.05505	6.9
300.06332	7.1
315.08624	100.0
316.08990	1.1
386.66641	0.6
395.67331	1.8
396.18127	3.1
396.68167	0.9
419.13638	0.7
447.19077	1.3
459.18594	0.6
476.69952	4.1
477.14120	5.2
477.20325	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.74052	0.5
55.01870	0.8
55.05516	6.0
57.03440	6.3
57.07055	1.7
62.06063	0.7
65.03926	1.1
66.10993	0.4
67.05506	29.4
68.19003	0.5
69.03416	0.5
69.07073	4.1
70.49506	1.0
70.49861	1.4
71.08608	0.7
79.05060	0.8
79.05499	14.0
81.03401	0.8
81.07059	26.9
83.04979	0.6
83.08619	2.4
91.05485	8.6
93.06474	1.1
93.07046	18.5
95.04950	1.7
95.08611	16.9
97.06516	0.8
97.10144	1.4
105.07045	4.8
107.08593	7.9
108.67321	0.4
109.06554	0.6
109.10163	6.0
117.07029	2.3
119.08584	3.7
121.06449	0.6
121.10151	5.3
122.95528	0.5
123.11683	2.2
131.08580	4.6
133.10130	2.7
135.08138	0.5
135.11682	3.6
137.09563	0.5
137.13257	1.1
145.10115	2.8
147.11679	1.9
149.09518	0.6
149.13225	2.8
159.11687	1.4
161.13258	1.8
163.14806	1.5
173.13269	1.3
175.14870	0.9
177.12772	0.6
177.16403	0.7
198.00710	0.5
198.05307	0.6
216.06287	1.0
225.22964	0.5
243.21117	1.5
261.22144	1.4
304.26501	1.3
310.14700	0.5
317.24817	1.3
335.25809	100.0
336.26144	1.4
476.27301	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02677	1.0
53.03927	1.5
55.05512	7.2
57.03424	2.7
57.07091	1.1
62.05790	1.8
62.06087	30.7
63.58595	0.9
65.03925	1.1
67.05502	23.8
69.07074	8.0
70.95951	3.2
79.05493	16.6
81.03384	1.6
81.07057	21.3
83.04955	1.0
83.08602	3.9
85.06544	2.1
91.05470	8.6
93.07037	19.7
95.04951	2.2
95.08601	18.1
97.06497	1.2
98.98458	6.9
105.07020	7.6
107.08591	9.9
109.10139	7.7
116.86876	1.0
117.06994	1.6
119.08584	4.7
121.10130	6.5
123.11657	2.1
124.01613	1.7
131.08568	3.1
133.10129	4.4
135.11665	5.5
145.10184	2.1
147.11684	2.1
149.13268	1.5
155.01025	3.4
159.11742	2.4
161.13072	1.1
163.14832	1.2
173.02110	2.2
173.13257	1.3
198.05307	2.1
215.24806	0.9
216.06279	3.9
222.88995	1.0
243.21170	1.3
261.22073	6.0
263.76218	1.2
284.03241	1.0
304.26312	10.9
334.24139	1.0
335.25793	100.0
336.26205	1.3
415.22745	1.6
458.26343	6.6
476.27573	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91577	0.6
55.05516	6.2
57.03444	5.9
65.03952	1.0
67.05505	23.6
68.32203	0.6
69.07065	7.1
69.88296	2.5
69.88704	1.6
71.04967	0.8
79.05075	0.8
79.05495	12.0
81.07062	19.1
83.08603	3.1
91.05486	5.9
93.07051	13.1
95.04977	0.8
95.08604	17.2
97.10160	0.8
105.07066	3.2
107.08590	6.9
109.06501	0.9
109.10162	5.7
117.06987	1.2
119.08582	3.2
121.10152	5.0
123.11694	1.7
129.90512	0.8
131.08554	2.4
133.10114	1.7
135.11693	2.2
145.10155	1.4
163.63464	0.6
177.97969	0.7
197.25394	0.7
229.74721	0.9
289.07349	0.9
304.26285	2.9
318.40143	0.7
335.25806	100.0
336.26144	1.6
350.20178	1.5
476.27121	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	476.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37448	2.4
56.96561	2.9
57.03437	10.5
60.04526	17.9
67.05518	3.1
69.03430	7.1
70.06586	12.2
70.19699	11.1
71.04998	61.3
73.02928	4.3
79.05499	7.1
81.03426	6.8
81.07055	5.9
83.04997	6.9
84.04499	3.4
84.08169	2.6
85.02910	100.0
87.04494	3.0
91.04964	4.5
91.05492	53.6
92.05820	6.8
93.07044	4.0
94.06559	3.5
95.04993	5.4
97.02907	13.0
98.97602	4.3
99.04469	5.3
105.07044	9.9
106.06576	4.6
107.04958	33.7
109.02883	7.5
109.06561	3.0
111.04454	6.6
115.03925	2.9
117.05755	4.3
119.04907	4.9
120.08118	29.8
121.06535	3.8
121.10091	2.9
122.09663	4.2
126.09187	3.0
127.03922	7.2
129.05498	26.2
132.07175	5.0
132.08102	63.6
133.06490	14.9
136.07536	3.4
137.06000	9.7
137.07956	3.1
139.03908	8.8
140.07018	2.9
145.05003	4.4
145.06491	2.5
147.06549	7.4
150.09151	95.8
153.01836	3.6
154.08667	5.5
167.07050	3.2
168.10236	9.9
169.55495	2.8
175.06052	7.4
175.11870	4.2
178.04985	4.6
201.05652	2.5
205.08682	2.7
229.06987	4.1
237.02921	5.6
259.11160	8.0
261.31433	2.4
279.12329	3.0
312.14319	29.7
313.07108	2.9
323.62128	2.7
330.15509	8.9
476.15250	2.9
476.21207	13.6
476.27570	5.0
481.69080	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27918	2.4
55.05515	5.5
57.03442	22.9
59.05006	4.3
61.02927	6.6
67.05509	5.4
69.03075	4.3
69.03435	73.7
69.07063	3.6
69.46712	3.5
69.47117	23.3
70.06587	8.3
70.15799	2.4
71.04950	3.0
71.92691	2.7
73.02912	13.6
79.05495	3.7
81.03416	5.7
81.07069	7.5
83.04990	2.7
83.08627	3.9
85.02906	60.7
86.09723	3.4
87.03978	5.3
87.04469	45.8
91.03976	2.5
91.05495	13.2
95.04951	2.5
95.08604	4.0
97.02895	62.1
98.58771	2.8
100.11228	4.5
105.07047	8.4
105.59261	2.6
109.02877	4.6
114.10328	4.4
115.03939	91.1
115.04742	4.4
121.02889	2.9
124.05213	9.9
127.03930	14.8
133.04976	100.0
133.06543	7.8
137.05980	21.2
144.06645	4.1
145.04996	14.5
150.07600	14.4
151.07498	3.1
165.09125	45.3
175.11981	5.4
177.05400	3.4
179.76945	2.8
189.09048	5.2
197.08147	10.9
201.09096	6.6
202.40691	2.8
207.10181	4.0
223.06268	2.7
241.07228	3.4
243.10362	5.0
476.32886	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	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01863	4.1
55.05500	8.5
57.03438	18.0
57.07077	42.1
61.02643	2.7
61.02927	43.1
62.83871	1.6
67.05511	12.9
69.03439	21.3
69.07066	9.9
71.01332	2.1
71.04992	2.5
71.08633	28.3
73.02556	2.1
73.02917	18.2
79.05477	2.7
81.03432	16.0
81.07062	19.7
83.04999	3.3
83.08610	12.9
85.02913	46.8
85.10188	16.5
87.04466	3.5
89.05988	2.0
91.03964	28.6
91.05471	7.7
93.07044	3.3
95.08621	30.4
97.02900	50.0
97.10178	9.6
99.04477	9.6
101.02383	7.6
103.03914	6.9
109.02869	6.3
109.10164	12.2
111.11729	2.7
119.04951	9.3
121.10184	1.9
123.11694	6.9
125.13235	2.7
127.03899	16.8
129.05452	3.6
137.13277	4.5
145.04945	7.4
147.04411	58.3
151.14818	1.9
159.06517	2.3
183.06622	4.0
201.07513	4.6
221.22653	2.5
227.95641	2.1
239.23676	27.5
257.24823	3.1
313.27374	100.0
314.27640	2.8
355.28296	2.2
453.55920	2.4
457.31607	9.4
475.32681	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	476.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59476	0.3
55.01877	0.3
56.05022	0.5
56.96540	0.4
57.03429	0.5
61.47857	0.3
67.03020	0.3
69.03421	0.9
70.06598	1.7
70.18304	1.3
71.04964	0.4
73.02911	0.5
74.06080	5.8
81.03400	0.5
84.04494	0.8
85.02903	1.8
86.06042	0.4
86.09686	0.4
87.04442	0.4
97.02897	1.2
98.20846	0.4
99.04475	0.4
102.05527	1.1
103.03870	0.3
107.03578	0.5
109.02875	0.8
109.05122	0.6
111.04475	0.3
112.08717	0.3
116.07086	4.0
120.06598	0.8
123.04411	0.5
127.03886	0.5
132.04427	0.5
134.04613	7.1
135.03029	0.6
135.04424	0.3
140.02856	0.4
144.06555	3.8
145.04941	0.5
147.04442	0.5
152.05702	1.3
162.07545	0.5
163.03923	1.0
165.02351	2.8
167.02618	1.2
167.07018	0.9
171.06572	0.4
173.05978	0.4
175.11945	0.3
175.77795	0.3
182.04962	100.0
183.05153	0.7
184.71031	0.3
211.09814	0.3
243.06491	0.5
249.15730	6.2
250.16049	2.7
261.07504	0.4
270.09714	0.8
277.26242	0.3
288.10721	0.6
314.09146	10.8
344.10184	1.3
351.10294	0.4
476.14304	3.1
488.11047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01865	0.3
55.64869	0.2
56.05035	1.0
57.03429	0.5
61.02923	0.2
69.03423	0.8
70.06590	2.6
70.78114	0.6
73.02914	0.5
74.06079	15.6
81.03404	0.6
84.04507	1.7
85.02897	1.8
86.09679	0.3
90.85489	0.2
97.02888	0.9
98.06051	1.3
99.04473	0.2
102.05535	1.7
103.64314	0.2
107.03578	0.3
109.02875	1.2
109.05135	0.4
111.04448	0.6
114.05521	0.2
116.07095	11.6
119.04943	0.2
120.06580	3.0
123.04469	0.3
125.50228	0.2
127.03899	0.7
131.08594	0.2
134.04620	7.0
135.03030	0.5
139.03880	1.3
140.02780	0.5
144.06558	12.1
145.04930	0.7
145.42670	0.2
147.04399	0.7
152.05678	1.7
162.07628	1.8
163.03912	0.5
165.02322	2.0
167.02574	1.0
167.06992	0.9
171.06540	0.7
174.04802	0.2
182.04959	100.0
183.05252	0.9
199.09689	0.4
204.08771	0.2
216.08429	0.3
228.08664	0.4
232.97472	0.2
234.09561	0.2
240.08922	0.2
243.06508	0.2
246.09779	0.8
249.15739	1.1
250.16101	0.6
252.08665	0.3
261.07538	0.5
264.10928	0.4
270.09714	2.5
279.08636	0.6
288.10782	1.8
306.11826	0.6
314.09164	12.5
344.10245	1.0
371.33762	0.2
415.73834	0.2
476.14273	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
57.07077	3.3
61.02925	0.4
65.03945	0.6
67.05505	0.6
69.03419	0.6
69.07042	0.3
70.06591	0.9
71.59893	0.5
73.06548	0.3
79.05502	0.5
81.03407	0.8
81.07048	0.9
83.08590	0.4
85.02914	1.7
91.05479	0.6
93.07067	0.4
95.04968	0.3
95.08572	0.3
96.83527	0.2
97.02875	0.7
98.09706	1.2
105.07008	0.6
109.02872	0.4
109.10146	0.3
114.10299	0.6
116.07143	0.2
119.08607	0.4
119.85471	0.3
121.02858	2.4
121.06511	0.3
121.25257	0.3
127.03970	0.6
138.89813	0.2
145.10139	0.3
149.02350	100.0
150.02684	1.4
152.92014	0.3
165.09056	0.3
167.03412	2.2
190.04988	1.2
203.07155	0.3
205.08611	23.1
206.09015	0.4
211.27718	0.3
221.08107	1.0
226.95253	0.3
277.14355	9.8
295.15384	0.7
474.28305	0.4
475.27167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20915	0.8
55.01892	0.9
57.03438	1.6
61.02920	1.2
69.03438	6.8
70.06629	0.9
70.83556	2.6
81.03395	3.7
83.06118	1.0
85.02917	7.7
88.61951	1.0
88.85190	1.0
95.04956	2.5
97.02888	6.9
99.04418	1.4
106.68531	0.8
109.02884	2.3
111.05579	3.3
112.74551	1.0
116.01917	0.9
120.04481	3.3
122.06011	3.9
123.04444	5.3
123.05556	1.1
126.06693	1.6
127.03922	3.3
132.04463	33.2
133.05252	1.5
134.06000	9.0
137.04657	2.1
145.04999	1.5
146.06033	2.0
148.03908	1.2
150.05504	13.3
151.06165	8.7
152.04294	1.0
153.87750	0.8
160.07587	1.1
162.05505	2.0
174.05531	8.4
177.00717	1.6
180.06303	6.5
188.07072	1.9
192.06599	1.5
194.06699	5.0
202.09752	2.0
216.06607	1.6
219.85835	0.9
228.06540	1.1
242.09209	5.5
248.09325	1.0
253.96513	0.8
257.10342	5.2
258.07803	1.3
259.11935	10.6
272.63177	0.8
276.08682	2.5
284.11447	2.7
294.09821	8.8
302.12485	14.7
303.12943	1.1
312.10785	27.4
317.08380	2.0
327.12198	3.6
337.83527	0.9
345.13083	100.0
346.13318	3.4
456.15613	1.5
474.16849	25.5
475.16791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05300	0.3
55.05516	2.6
55.58279	0.2
56.48052	0.3
57.03447	0.4
57.07076	2.5
61.02929	0.5
64.78948	0.3
65.03935	0.7
67.05514	0.3
69.03421	0.7
69.49696	1.1
69.50112	1.0
70.06578	0.6
71.05018	0.3
72.08154	0.3
73.06536	0.6
79.05492	0.3
81.03430	0.4
81.07040	0.4
85.02925	2.1
91.03961	0.4
91.05465	0.6
93.07030	0.3
95.04936	0.3
97.02880	1.2
98.09699	1.4
98.21483	0.4
105.07001	0.4
109.02920	0.3
109.10162	0.3
115.36933	0.3
119.08646	0.3
121.02885	2.2
121.03662	0.4
127.03838	0.3
149.02348	100.0
150.02736	0.4
157.10141	0.3
165.09004	0.3
167.03401	2.1
190.05020	0.9
203.06987	0.4
205.08611	19.9
221.08107	0.8
223.09669	0.8
277.14352	7.1
295.15387	0.7
350.04535	0.2
384.28391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26891	0.3
53.03947	0.3
55.01872	0.3
57.03444	1.6
61.02925	0.9
67.05537	0.4
69.03429	1.1
69.07070	1.4
70.04078	100.0
70.06604	0.8
70.66639	0.9
70.66995	0.4
75.04478	0.4
81.03435	0.9
81.07062	0.3
85.02904	6.4
85.06549	0.4
87.04504	0.3
87.08099	0.6
91.03947	0.5
96.58463	0.3
97.02882	2.0
97.06524	3.4
109.02882	0.6
115.07576	8.1
127.03938	1.5
145.04958	3.1
163.06084	1.3
175.11888	0.6
184.07426	0.5
184.10829	0.9
194.82481	0.3
207.05811	0.3
232.09418	0.9
266.05145	0.3
269.02155	0.3
273.64764	0.3
355.47610	0.3
424.40524	0.3
427.92871	0.3
444.60623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.8
61.02908	1.2
67.05530	0.5
69.03433	1.6
69.07075	1.4
70.04082	100.0
70.36134	0.4
70.91273	1.2
70.91620	0.9
75.04473	0.9
85.02911	5.6
87.08119	0.7
91.03955	0.9
97.02921	2.0
97.06525	4.5
104.50211	0.5
115.07568	8.9
127.03968	2.2
145.04950	3.9
163.06078	1.1
168.91214	0.6
175.12045	0.7
184.10933	1.1
232.09299	0.6
267.27609	0.6
321.62067	0.5
403.98331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1607
Annotation	Proteacin
Peak:m/z	Relative Intensity
53.03934	2.2
55.01870	1.4
57.03415	3.9
61.02929	5.1
69.03071	1.6
69.03429	23.7
70.78008	1.2
70.78350	1.8
71.01363	1.0
71.04990	1.5
73.02901	3.1
81.03423	10.0
85.02427	1.7
85.02908	26.4
87.04426	1.4
95.04976	5.2
97.02282	1.8
97.02888	23.4
99.04461	6.5
103.03944	2.4
106.84241	0.8
107.04935	3.6
109.02876	7.6
118.06561	1.3
119.04941	1.7
122.06033	18.9
122.32418	0.8
123.04449	5.0
127.03940	10.5
132.04439	9.8
133.05222	3.6
134.06013	13.5
136.07571	2.3
145.04968	7.0
146.06010	5.3
148.03909	2.8
148.07587	2.5
150.05504	48.7
154.50746	0.8
157.39758	0.8
158.80701	0.9
159.06787	0.9
160.06093	2.9
160.07562	3.6
162.05505	9.3
163.06038	1.4
164.07062	1.6
170.06137	0.9
174.05521	37.9
176.07106	4.9
178.04947	1.3
184.07523	1.1
188.07092	6.9
192.06612	5.9
200.07095	1.1
202.04933	2.9
202.08649	1.6
204.06523	2.5
212.07016	1.2
216.06538	8.1
228.06500	2.5
230.08092	3.1
248.09164	2.2
258.07617	4.0
276.08591	8.3
294.09692	22.8
312.10785	100.0
420.94351	1.0
474.15866	13.6
496.26883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
56.96556	2.6
57.03430	5.4
61.02928	4.5
67.38712	1.9
69.03429	16.0
69.66772	5.4
69.67199	10.8
70.06583	7.3
72.08145	3.5
73.02930	4.5
74.06071	2.9
81.03416	7.6
83.04959	2.8
84.04493	3.1
85.02908	33.5
86.09709	4.3
87.04436	2.0
93.41605	2.3
95.04932	4.5
97.02899	26.9
98.21398	4.5
99.04455	6.4
107.04948	6.1
109.02872	5.5
111.10331	2.0
114.06654	6.8
116.07076	2.8
119.04852	3.8
122.06035	12.5
122.68130	2.2
123.04434	9.5
127.03914	17.4
132.04477	8.1
133.05226	9.7
134.06044	4.2
139.03938	3.5
140.07216	2.5
145.04979	14.5
146.05984	4.2
147.04416	4.8
148.03960	16.3
148.07545	6.8
148.89563	2.1
150.05522	82.0
160.07600	2.2
162.05627	2.8
164.33003	2.2
167.07085	3.3
172.07532	3.1
176.07085	8.1
182.04872	2.9
186.05510	4.3
188.07083	3.7
192.06592	7.2
200.07091	10.1
202.08711	2.3
204.06569	29.0
216.06516	3.8
222.07704	2.7
228.06612	18.0
258.07727	3.9
270.93524	2.4
276.08676	6.2
292.09277	2.4
294.09741	71.1
303.99103	2.3
312.10800	100.0
386.75140	2.3
474.16135	25.4
474.22076	4.1
497.82172	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91201	1.5
53.03947	2.3
53.51052	1.5
55.01871	18.2
56.05036	2.8
57.07077	3.0
61.02908	1.3
67.05505	3.5
68.18681	1.2
68.96098	1.6
69.03426	6.0
69.07063	3.4
70.02977	2.1
70.06608	7.3
71.04988	4.7
71.60213	2.3
72.04520	9.9
72.08139	2.7
73.02909	4.1
74.00672	8.9
74.06071	5.3
81.03423	9.1
83.04981	5.0
83.06109	7.4
84.04507	48.4
85.01145	1.7
85.02910	8.9
85.06553	3.6
86.09715	3.0
87.08071	1.5
88.34175	1.6
90.05566	14.5
91.05468	3.0
95.04976	4.4
96.08143	1.6
97.02905	5.6
98.02431	7.0
98.06011	1.6
99.04466	2.0
99.05614	7.9
100.03976	3.1
107.04945	2.1
108.04469	1.9
109.02872	13.8
110.99058	3.3
111.04443	1.6
112.03974	13.2
112.07564	1.5
112.08703	2.1
113.06043	2.4
116.03460	11.0
116.07124	2.1
116.98701	1.6
120.06563	1.9
124.07581	10.0
127.03943	6.3
128.03455	4.8
129.06604	10.2
130.05006	44.3
132.06535	2.0
136.03966	5.2
136.07657	2.8
136.08740	5.6
137.00583	4.7
137.02336	13.7
137.05988	4.0
138.98517	12.2
142.08638	8.7
143.01625	2.2
144.06490	2.2
145.04945	3.6
145.06033	2.3
147.04410	1.9
149.00603	4.6
153.06551	2.0
155.07039	2.9
160.09654	2.3
165.00072	11.6
166.00839	1.6
166.08638	1.8
166.98003	4.6
167.01637	2.2
167.07071	2.4
168.99557	100.0
171.01205	1.8
172.09523	1.9
174.11293	2.6
182.09373	2.1
184.09726	15.0
184.99081	7.9
192.99573	35.3
193.06152	3.2
199.00623	16.6
202.10765	39.1
210.02200	78.3
211.00610	12.2
211.09645	3.5
220.11789	9.6
220.99097	1.8
225.02174	11.8
228.03265	36.9
230.10265	5.6
234.09683	3.5
242.04842	23.3
262.12912	7.6
267.04425	9.5
276.03165	3.5
294.03946	1.8
296.02246	66.2
310.12814	4.7
313.04852	29.9
314.03262	32.8
328.04913	15.1
328.13922	22.8
339.06201	2.1
345.07510	41.5
346.14926	5.2
364.16046	6.8
367.05951	1.7
379.05765	3.9
381.07629	1.7
397.06818	1.9
399.03452	2.1
399.08618	43.8
456.10895	1.9
456.20755	2.6
457.09314	3.2
462.22357	1.8
474.11758	15.4
474.24371	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01875	2.4
55.05498	6.7
56.96560	6.9
57.03426	2.0
57.07090	4.5
59.04989	2.2
61.02913	2.1
61.28076	1.9
65.35833	2.1
67.05503	15.6
68.99783	5.8
69.07057	8.5
69.91068	12.6
71.08641	15.3
79.05495	7.6
81.03410	3.5
81.07058	19.4
83.04972	2.1
83.08632	4.3
85.02905	4.4
85.10182	5.7
89.06030	10.5
91.05518	5.1
93.07068	6.7
93.12906	2.1
95.04976	7.4
95.08627	13.4
97.10159	3.5
98.20842	3.9
103.05473	3.8
104.83740	1.9
105.07009	4.4
107.04927	4.1
107.08587	7.6
109.06544	3.0
109.10170	4.8
111.04430	2.3
121.06496	8.7
121.10159	3.1
122.29577	2.2
123.04432	60.7
125.06017	3.2
127.03923	7.4
131.08540	3.3
133.08615	3.5
133.10115	2.8
135.08107	2.6
135.11713	2.2
136.02838	2.1
137.02367	7.5
137.05972	27.1
139.03905	3.0
141.05481	61.9
142.43712	2.2
147.04335	2.9
149.05995	83.3
151.07494	3.1
153.05537	10.9
163.07561	39.2
167.03426	4.4
169.05019	2.6
172.95242	6.9
173.05928	4.7
177.09137	10.7
177.11092	3.3
179.07039	2.8
190.96275	4.2
248.02278	2.1
303.23068	3.0
310.10010	2.4
313.21527	6.0
317.17960	3.2
331.22681	100.0
331.60666	3.6
332.11121	3.0
345.24307	23.3
355.08533	2.0
358.20511	2.9
368.31802	2.3
453.17172	4.0
463.60263	2.5
464.88116	2.2
471.18060	7.7
471.27722	6.0
471.34625	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	471.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
55.05519	5.1
56.70845	3.2
57.07083	4.8
61.02950	3.6
67.05508	13.8
69.03456	5.0
69.07069	8.5
70.64786	10.4
72.82099	3.8
79.05494	13.8
81.03400	6.0
81.07045	17.0
83.05000	4.4
85.02940	6.1
85.10155	8.9
91.05505	13.6
91.97929	3.3
93.07040	13.0
95.05000	7.4
95.08615	11.5
97.02876	5.2
101.94783	4.0
105.07063	11.6
107.08602	7.4
109.10163	5.8
111.04440	4.4
113.09666	6.8
117.07012	6.8
119.08607	7.5
121.10186	4.0
125.09646	3.8
129.07028	5.9
131.08551	7.4
145.10178	4.1
146.35252	3.4
147.11729	4.8
161.06152	3.7
163.03970	4.9
165.12688	5.2
175.23987	3.4
177.09297	3.5
187.11182	6.8
215.10738	5.1
243.10287	10.7
244.05521	3.8
255.84483	3.5
259.09421	4.5
261.11362	6.5
267.12387	4.7
271.09683	5.5
277.21698	14.3
289.10989	4.5
295.22595	12.6
307.11765	15.8
325.12811	100.0
373.23663	9.5
387.21387	3.7
417.22577	4.7
435.23715	13.2
453.24536	11.7
471.19879	6.1
479.58313	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	471.2744
Annotation	Withametelin O
Peak:m/z	Relative Intensity
51.16298	1.4
55.01859	2.4
55.05518	9.1
62.31242	1.4
67.01849	4.4
67.05503	14.7
68.99785	5.7
69.07050	4.5
69.33318	10.3
69.33723	3.7
69.51015	1.4
78.88989	1.5
79.05493	9.2
81.03419	2.0
81.07057	14.3
83.08611	8.1
84.88697	1.7
91.05461	6.3
93.07053	9.8
95.04967	6.0
95.08597	10.6
97.06512	3.2
98.03700	1.7
99.08116	2.3
105.07027	4.2
106.43704	1.6
107.04964	2.5
107.08569	6.9
109.02932	1.4
109.06466	2.3
109.10169	2.5
111.04449	5.4
111.08041	2.4
117.06977	2.0
121.06470	4.5
121.10191	8.4
121.10899	1.5
123.04427	94.6
125.05988	2.0
131.08580	3.0
133.10130	2.1
135.08040	4.6
135.11668	3.6
137.05983	9.7
141.05458	89.2
147.04417	4.2
149.05978	70.5
149.13211	1.8
151.07527	4.3
153.05460	15.0
161.05949	2.8
163.07542	94.8
165.09071	1.6
167.03403	100.0
167.07030	3.7
169.04922	3.1
175.07602	2.9
177.05467	2.2
177.09122	11.6
179.07091	2.0
181.77254	1.5
185.04436	2.6
189.09145	2.5
195.06569	3.1
200.13066	1.7
203.10663	3.1
217.12294	2.1
276.30179	1.6
313.21603	12.7
331.22662	86.5
332.22977	1.7
379.86432	1.4
471.27032	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	471.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.6
71.59599	0.3
71.59965	0.3
71.60320	0.3
81.03178	0.2
83.01094	0.8
84.01872	0.4
89.04910	0.2
91.05450	0.3
91.90356	0.2
93.07041	0.2
95.01070	1.8
95.08598	0.4
96.01861	0.7
100.11238	0.2
109.02811	0.2
109.10143	0.3
111.00552	0.3
112.01322	0.9
112.07602	0.4
113.02133	2.6
116.98662	0.2
126.02941	0.4
139.03783	0.3
141.05206	0.3
141.07291	0.2
147.04445	0.3
156.27684	0.2
157.04741	0.7
166.05179	0.2
167.03180	0.5
185.04222	4.1
189.05258	0.8
193.84918	0.2
200.04407	0.2
201.03702	1.2
202.04659	0.2
203.05299	0.9
219.06267	2.4
234.08627	15.9
235.09355	0.9
237.02789	0.3
237.62422	0.2
243.08333	0.3
252.09848	0.3
259.07892	2.7
267.09860	0.8
275.11456	0.2
276.10443	0.9
276.60614	0.2
277.10498	2.1
279.11996	0.3
291.20590	0.4
309.13010	0.5
423.16092	0.3
440.16528	0.7
441.17191	1.8
471.18372	100.0
472.18677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01855	4.7
55.05499	6.0
56.96553	5.4
57.03421	4.2
57.07052	2.2
61.02925	2.7
63.65386	2.0
67.05508	19.0
67.49545	2.3
69.03431	16.0
69.07073	23.1
70.06573	8.0
71.04984	8.8
71.60078	2.4
71.60770	2.4
73.02923	2.3
77.46954	2.0
79.05475	10.8
81.03427	16.7
81.07060	26.4
83.04977	5.8
84.04455	2.1
85.02914	20.5
85.06536	5.8
86.06078	5.1
86.09709	5.4
86.24681	2.5
88.82558	2.0
91.05482	10.5
91.16543	2.6
93.07035	10.1
95.04987	11.0
95.08598	7.0
97.02885	15.0
97.06509	4.2
99.04472	4.6
100.11249	2.5
100.86426	2.2
103.03918	6.0
105.07032	9.6
107.04942	4.8
107.08602	23.2
109.02888	11.9
109.06525	6.8
109.10159	100.0
110.10428	2.4
111.04441	3.9
113.05999	4.2
117.07072	2.3
118.69618	2.3
119.04921	3.1
119.08555	4.5
121.02861	2.6
121.06483	2.6
121.10143	7.7
123.04448	3.3
123.08036	3.2
123.11712	29.9
127.03947	13.3
127.11207	38.3
128.07118	2.2
132.04459	2.6
133.10132	8.9
135.04431	2.8
137.05962	4.8
137.90573	2.0
139.03883	4.5
141.05434	2.9
143.08585	3.1
145.04924	5.5
145.10243	3.2
147.04408	9.5
147.11687	4.8
149.01204	3.3
149.06062	3.2
149.09561	5.3
151.07576	2.7
151.11166	22.7
153.05501	3.6
161.09543	2.9
163.03899	7.7
165.05475	2.1
165.09114	5.5
167.07097	5.3
169.12253	23.9
173.13271	2.7
175.11177	3.7
176.03471	4.2
177.05464	5.3
181.04984	2.1
184.07381	3.8
185.07805	3.4
187.13263	4.3
203.07033	7.0
207.06567	5.1
209.04440	2.5
223.11763	3.5
224.08150	3.3
231.06592	13.4
235.13304	3.0
241.12807	2.7
245.10197	4.4
249.07542	9.5
253.14369	3.8
267.14377	7.9
271.02499	2.3
274.09622	2.5
277.14362	4.6
295.15359	9.2
309.09833	4.4
313.16382	10.3
331.17468	2.7
411.18622	17.5
429.19180	2.6
471.22092	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	469.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26846	5.7
55.05511	15.6
56.96577	6.5
61.02911	7.4
67.05501	24.6
68.99787	11.5
69.07072	11.0
71.59940	9.5
79.05499	17.2
81.07054	33.3
89.59162	7.2
91.05450	13.7
92.98633	5.7
93.07052	18.9
95.08598	16.4
105.07034	9.4
107.04965	11.5
107.08587	11.4
109.10169	7.7
116.17916	5.2
116.27728	7.2
117.07072	5.8
121.06520	10.2
121.10129	15.6
123.04436	63.5
125.06010	9.5
127.03922	12.6
131.08557	6.6
135.11685	5.5
137.05966	29.7
141.05476	81.1
145.10138	8.7
149.06000	99.2
151.07512	7.6
153.01836	9.2
153.05464	20.2
161.05988	14.8
163.07545	79.9
167.03416	100.0
167.07086	6.4
173.05884	10.8
175.07544	15.6
177.09149	18.3
179.07437	5.2
187.14787	13.9
189.09146	20.6
201.09070	10.9
203.10655	13.1
215.10687	10.2
217.12192	9.2
229.12248	7.3
245.15504	9.9
281.10593	9.2
311.20096	10.7
322.11874	11.7
329.21228	45.1
343.22919	9.1
469.25742	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	471.1812
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
55.31495	1.1
56.96566	12.3
67.05509	2.3
69.54526	1.7
69.54930	8.4
71.95283	1.3
78.81612	1.4
79.05492	1.8
81.07053	3.5
83.08650	1.6
85.02924	1.7
89.87543	1.1
91.05461	1.9
93.07066	2.8
95.08586	2.2
97.02885	1.3
97.13885	1.1
102.92627	2.8
104.52138	1.1
105.07048	1.9
119.08588	2.1
120.98076	1.2
136.93105	4.6
136.94055	2.3
146.99686	3.0
147.04405	1.8
153.00681	1.2
154.94162	23.7
162.67368	1.2
169.86246	1.1
172.95245	71.3
177.95761	1.9
190.96283	47.6
195.96831	10.6
210.96780	9.3
213.97879	7.1
228.97867	24.7
233.98409	2.3
246.99020	6.2
251.99495	4.1
266.76126	1.2
317.14127	2.0
317.17877	41.0
332.11313	1.8
333.17404	2.1
335.18939	23.6
358.20529	10.7
397.14499	3.8
411.16138	1.4
453.17126	40.7
471.18210	100.0
472.18542	3.1
494.19788	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	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.5
53.03955	5.4
55.01885	12.5
55.05513	30.1
57.03436	6.3
57.07090	2.2
65.03947	2.3
67.05511	38.0
69.03419	5.8
69.07078	13.7
69.55194	17.9
71.04986	4.2
79.05061	2.6
79.05499	37.6
80.68266	2.2
81.03421	10.1
81.07062	100.0
83.04974	12.2
83.08624	24.6
84.49131	2.3
85.02886	6.0
85.06522	2.2
91.05484	38.9
93.07056	33.2
95.01351	14.8
95.04959	13.0
95.08609	31.3
97.02894	2.3
97.06539	11.6
97.10203	3.2
99.08102	2.7
105.07036	37.0
107.04980	11.7
107.08599	19.0
109.06530	32.8
109.10156	11.3
111.04482	3.7
111.08079	17.8
113.02351	3.7
113.09663	4.1
117.07027	9.1
117.65536	2.2
119.08601	28.8
121.02885	2.8
121.06486	4.8
121.10170	20.3
123.08059	5.1
123.11708	8.4
125.09600	4.6
129.06987	4.5
131.08575	15.9
133.10126	23.9
135.08066	5.3
135.11716	8.8
137.09631	4.2
139.07515	3.2
139.11211	2.9
141.01845	9.1
142.07832	2.5
143.08545	2.5
145.10130	14.7
147.11688	28.3
149.09644	9.8
149.13260	7.9
151.11131	5.4
153.12753	2.3
155.08531	2.8
157.10110	4.0
159.11716	8.0
161.13255	4.3
163.11147	10.0
163.14891	2.4
165.12781	22.2
173.13309	5.5
175.11235	5.8
175.14871	3.9
177.12776	2.6
179.14261	4.3
193.12239	7.9
193.61510	2.2
205.15944	2.5
229.14285	3.1
229.19545	4.1
239.17944	5.6
247.20560	8.7
249.22235	2.5
257.18982	12.7
259.20575	2.4
275.20102	85.9
275.23148	4.2
276.20392	4.6
277.18765	4.3
277.21643	56.5
277.24683	3.0
293.21210	4.0
295.22696	16.7
350.35846	2.3
371.22089	2.8
415.21008	2.9
433.22116	37.4
451.23199	19.4
469.27649	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	469.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01871	4.8
55.05515	22.0
55.89258	1.6
57.03433	2.4
67.05499	17.8
69.03436	4.8
69.07067	10.8
69.55382	14.1
74.46156	1.7
75.05145	1.5
79.05489	13.1
81.03419	18.0
81.07056	16.8
83.04973	4.4
83.08614	13.2
85.02908	5.1
91.05488	15.5
93.03424	2.4
93.07059	14.5
93.44363	1.6
95.01326	15.6
95.04982	8.2
95.08606	15.0
97.02885	3.7
97.06548	3.7
97.10194	2.4
99.08028	1.6
105.03403	4.0
105.07034	14.5
107.04968	7.6
107.08600	6.9
109.02924	3.3
109.06528	6.0
109.10174	9.7
111.04469	2.1
111.08091	4.5
113.02334	1.9
115.05487	3.4
117.07001	9.5
117.40887	1.6
119.08586	10.4
121.06498	2.8
121.10152	7.9
123.04416	6.0
123.08080	3.6
124.90314	1.6
125.02370	4.1
126.10391	2.7
127.03904	2.4
127.11161	9.9
128.06265	2.9
129.07005	6.9
131.08589	11.1
133.06487	3.4
133.10130	5.5
135.04443	2.1
135.08070	4.7
135.11691	3.2
137.05988	3.5
137.09654	3.7
139.03899	2.6
139.11113	2.1
141.07025	3.8
143.08543	5.6
145.06464	4.1
145.10100	9.0
147.04422	3.1
147.08035	5.0
147.11700	5.0
149.06032	5.9
149.09654	4.6
151.03906	4.9
151.11177	2.2
155.08606	4.0
157.10144	4.1
159.08055	4.4
159.11700	3.4
161.06003	3.4
161.09583	4.7
163.03987	3.2
163.07523	4.1
163.11227	3.5
164.34570	1.5
165.09122	3.9
165.12756	13.2
169.10159	6.0
171.08076	3.3
171.11627	3.8
173.06003	4.3
173.09596	5.1
175.07503	4.1
177.01814	6.9
177.05501	3.0
179.08488	2.1
183.08188	1.9
183.10033	2.9
185.09674	1.9
187.07559	5.3
187.11174	9.4
189.05449	3.0
189.09123	5.7
191.03473	2.6
191.10646	2.7
197.09630	7.6
199.07681	2.3
199.11177	5.2
201.09117	6.9
203.07086	5.2
203.10793	2.3
205.08582	2.2
205.12294	2.0
211.13286	1.8
215.10703	13.8
217.08585	3.5
219.10216	2.0
225.09090	8.6
227.10649	2.9
231.10260	1.9
233.08139	2.0
233.11774	5.7
243.10194	19.6
253.08684	3.8
259.09561	5.0
261.11227	13.6
271.09595	11.4
275.20093	4.6
279.12192	2.0
287.12756	2.4
289.10672	27.0
293.21249	2.9
294.21875	16.0
307.11786	31.1
325.12811	100.0
387.21655	3.8
389.23187	2.8
397.19949	3.3
405.22723	2.3
415.21078	7.0
433.22162	23.9
451.23264	27.6
469.24063	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	469.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46945	0.4
52.81873	0.4
53.03946	3.5
55.01860	1.3
55.05503	0.9
57.03446	2.2
59.04982	1.0
61.02917	0.5
64.73206	0.4
65.30630	0.4
69.03431	11.2
69.07063	0.5
69.91690	1.6
70.06580	0.5
71.01330	0.5
71.04997	5.2
73.02885	0.6
73.09647	0.4
79.05463	0.4
81.03417	24.0
81.07065	2.0
83.04991	4.6
85.02907	2.7
87.04456	0.5
93.07063	0.6
95.08669	0.5
98.09686	0.8
98.20770	0.8
98.97552	0.5
99.04456	10.8
100.11250	1.3
102.82691	0.4
103.03941	2.6
107.04951	0.6
109.02883	9.9
109.10197	0.7
111.04423	1.0
116.10722	0.8
117.05476	2.3
118.06530	2.4
121.10161	0.6
127.03925	3.1
128.07104	0.7
133.76839	0.5
135.04393	0.9
137.02327	1.6
139.03891	4.1
145.07597	3.1
147.09161	7.9
151.03885	1.1
162.07860	0.9
163.03928	2.1
163.08682	0.9
173.07115	8.2
175.08681	11.4
177.05386	0.5
181.04932	0.7
182.15405	1.7
190.07315	0.5
191.03479	4.4
191.08156	100.0
192.08580	0.6
198.14868	1.1
199.08638	1.0
203.03424	2.1
203.08069	0.9
204.08891	0.8
205.09637	0.6
210.14951	1.7
213.10178	1.2
215.11835	0.5
226.14459	0.7
229.13934	0.4
231.11238	1.1
233.09273	0.7
243.11243	1.0
245.09357	0.4
271.10757	2.5
289.11844	7.7
301.07083	1.1
307.12878	34.8
308.13385	0.5
325.13950	35.0
331.12933	7.6
337.21204	0.6
349.13959	7.7
354.24011	1.1
359.07526	1.7
371.15976	1.9
389.17075	4.6
391.15005	0.7
397.13828	4.1
407.18073	1.0
415.15005	12.3
433.16086	13.1
451.17105	14.2
451.23267	0.9
452.31024	0.8
469.21268	0.7
469.34225	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	469.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08804	1.0
53.03938	2.2
57.03429	2.0
61.02923	2.4
63.10979	1.0
65.87007	1.0
67.05499	4.6
68.05007	1.4
69.03433	6.1
69.07059	5.8
70.00919	5.8
70.06593	2.0
71.04984	4.7
79.05496	3.2
80.05030	1.4
80.67532	1.1
81.03417	3.8
81.07040	3.4
85.02913	9.2
91.05489	2.1
93.07053	3.1
94.06555	1.6
95.04951	5.7
95.08586	3.1
96.04488	1.5
96.08131	4.8
97.02864	5.3
97.06536	5.3
98.06059	1.2
98.97578	1.4
99.04437	2.0
105.07035	1.7
106.06548	3.3
107.04968	2.8
107.08608	3.1
108.08124	1.3
109.02862	3.4
109.10203	1.8
110.06047	4.4
110.09676	3.3
111.04544	1.2
113.05991	1.3
114.05508	6.5
119.08588	1.2
120.08095	2.7
121.10152	2.3
122.06034	9.4
122.09686	4.0
123.04444	3.2
123.08089	1.7
123.11673	1.3
124.07597	58.6
127.03913	4.8
138.09161	5.2
140.07068	51.9
145.04929	1.6
148.07574	4.1
148.11250	4.1
150.05481	2.1
152.07059	3.4
152.10716	1.7
157.07603	1.1
159.06541	1.2
164.07062	9.5
166.08659	20.2
166.12280	20.6
168.06537	9.2
170.08167	2.7
170.09515	1.3
172.09882	1.3
176.10727	26.5
184.09721	9.2
194.11774	77.2
198.12781	2.6
202.12294	2.1
216.13902	3.4
226.12279	5.9
230.11835	2.3
232.21321	1.2
233.12917	2.5
237.02821	1.1
241.13295	1.3
243.14958	9.2
244.13321	10.3
253.13438	2.5
254.11731	5.3
269.54608	1.1
271.14432	19.0
272.12839	24.5
276.10760	13.9
289.15463	48.1
290.13754	11.9
302.12424	2.2
307.12875	1.8
307.16516	35.2
319.12631	1.6
347.07446	1.5
405.06830	1.4
451.20822	32.8
469.21875	100.0
470.22083	1.8
475.30902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1321
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
57.03441	0.4
65.90790	0.3
67.05502	0.4
69.03432	1.4
69.07072	0.4
70.06580	0.9
70.84950	0.5
70.85279	0.6
79.05487	0.4
81.03425	0.6
81.07045	0.7
83.06103	0.4
84.04489	0.4
85.02916	1.7
86.09726	0.4
87.04478	0.8
93.07035	0.5
95.08601	0.4
97.02879	0.8
107.08562	0.3
109.02830	0.4
109.10106	0.3
112.08685	0.3
115.03926	0.3
121.02892	0.4
121.10148	0.3
123.04447	0.4
124.07603	0.4
127.03909	0.3
129.06979	0.3
133.06467	0.3
136.07535	0.3
137.02354	1.2
137.05978	1.4
139.03899	1.3
147.04414	0.5
163.03923	0.7
167.03444	0.4
175.03714	1.4
175.07614	0.4
181.04971	0.5
184.07254	0.4
187.04494	0.4
191.03415	1.0
191.08220	0.6
269.05237	0.3
271.22699	0.6
282.32483	0.3
301.07172	0.4
307.07556	0.3
307.12970	0.7
317.08420	8.8
337.08807	0.5
359.07541	0.4
437.10480	0.3
469.13168	100.0
470.13464	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	469.1133
Annotation	Epigallocatechin 3-O-caffeate
Peak:m/z	Relative Intensity
52.98854	1.0
53.03958	1.3
54.06052	1.0
55.01868	2.9
55.05508	3.3
56.96552	1.5
57.07083	1.4
61.02907	1.4
65.03942	2.1
67.05498	3.6
68.99792	1.8
69.03438	5.4
69.07069	3.3
69.91129	1.0
70.06563	2.7
71.05021	2.4
71.60274	1.7
79.05496	4.9
81.03421	6.3
81.07059	8.5
83.04971	2.5
83.08605	3.9
84.08147	1.2
85.02916	6.8
85.06532	1.5
89.03905	1.9
91.03922	1.2
91.05469	3.4
93.03406	4.0
93.07054	1.9
95.04969	4.5
95.08599	4.5
96.08130	1.7
97.02883	4.1
97.06513	3.0
98.09693	6.0
98.97576	1.4
99.04459	1.9
99.08096	3.0
100.07608	2.4
100.11261	12.1
105.07024	1.9
107.04951	6.5
109.02872	4.0
110.09696	1.3
111.04443	5.9
116.10734	3.4
117.03374	1.5
119.04955	2.0
121.02856	3.8
121.06528	1.3
121.10100	3.1
123.04427	4.5
124.07611	2.9
126.09209	1.2
127.03910	4.4
128.07085	3.1
131.04941	2.2
133.02832	1.7
133.10143	2.1
135.04420	19.2
135.11736	1.2
136.04832	1.1
136.07562	3.3
137.02348	46.3
137.03357	1.7
137.05992	2.1
138.09145	6.7
139.03908	77.2
139.09480	2.2
140.07059	3.5
145.02846	4.1
147.04384	3.5
149.06015	1.9
151.03886	2.8
152.07133	1.5
153.01866	5.0
153.05461	3.8
159.04405	4.7
163.03917	50.9
164.07094	8.6
165.01828	3.2
165.05467	6.0
166.08659	11.5
167.06990	1.9
167.08978	5.6
169.04962	4.0
171.04370	1.4
175.03947	1.8
177.01909	2.0
177.05434	6.0
179.03458	6.4
181.04976	10.2
182.15466	6.0
183.02893	4.5
184.07394	3.1
185.06004	1.4
187.03941	2.9
191.03404	100.0
191.08145	8.4
194.11761	4.1
195.02965	1.4
195.06415	5.2
198.14845	5.5
199.03967	1.7
201.05444	1.7
203.03398	19.4
205.04987	4.2
207.02910	1.4
207.15118	1.7
208.13289	1.9
209.04453	2.0
209.16524	2.7
210.14902	7.4
211.13240	1.6
213.05498	1.9
215.03438	1.5
217.04962	2.2
221.04454	1.3
223.06033	2.9
226.14420	4.6
241.04958	2.1
246.64803	1.1
247.05980	3.7
259.06030	14.0
271.06015	11.0
271.22681	1.5
283.06009	2.0
289.12177	1.4
289.15448	4.8
301.07083	54.2
302.07220	1.7
305.05121	2.1
307.12891	2.0
307.16312	1.6
313.07083	32.1
325.06702	1.2
325.13947	1.8
333.06039	22.0
334.06363	1.9
337.21283	2.6
341.06433	1.4
349.21460	1.0
354.23843	3.7
359.07623	16.4
377.02280	1.2
404.98987	1.5
409.08929	2.0
418.96817	2.2
423.00403	1.5
427.10342	7.4
428.00708	2.5
429.17520	1.2
433.31473	1.2
451.10144	2.8
451.32950	8.7
452.31110	4.7
468.32739	1.7
469.33914	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	468.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.8
56.96538	3.3
57.07077	100.0
59.05000	11.5
61.02937	3.5
67.05507	14.7
68.05803	3.0
69.07058	2.2
69.61077	16.2
71.08634	73.8
75.18652	1.7
81.03400	2.0
81.07050	5.0
83.08627	3.0
85.02905	2.7
85.10182	63.8
85.98429	2.3
89.06036	57.6
91.05483	2.4
93.07050	2.6
95.08599	4.3
97.02898	4.3
99.11732	8.9
103.07594	6.1
107.07034	3.7
107.08606	2.2
109.10152	6.6
110.10532	2.6
113.13313	2.7
118.06615	2.0
123.11668	2.0
130.08629	3.7
133.08600	53.1
138.63640	2.0
142.95772	2.0
155.17957	5.8
165.09106	2.4
173.11702	2.0
176.40556	2.4
177.11208	10.5
181.44527	2.1
195.12314	3.1
213.22116	10.5
217.95358	2.0
221.13844	6.5
239.14893	23.9
257.24707	3.5
267.09045	5.8
283.17444	7.6
285.10059	6.8
290.10599	2.0
297.19092	4.8
313.27368	3.4
317.12778	2.1
324.11551	5.6
373.46777	2.1
443.22821	6.9
451.36194	14.1
468.37973	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	468.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69746	1.6
55.05500	3.3
57.03412	1.9
57.07077	100.0
59.04998	13.4
65.64033	1.6
67.05510	8.4
68.05812	1.8
69.03431	1.6
71.08634	70.8
71.61326	2.9
73.02905	1.6
77.05119	1.4
79.05465	2.0
79.87492	1.6
80.72274	1.4
81.07042	2.1
83.08625	3.1
85.10187	60.5
87.04469	4.4
89.06034	54.4
95.08643	2.4
99.11738	13.6
103.07584	5.9
107.07069	3.0
109.10159	5.8
110.10501	3.0
113.13277	5.5
130.08598	2.0
133.08607	63.2
135.01410	1.6
147.04387	2.6
155.17955	12.8
177.11232	11.3
213.22144	12.9
221.13869	7.9
239.14896	30.5
257.24734	6.7
267.09100	3.4
279.18130	2.7
283.17532	7.1
285.10101	3.9
297.19083	4.6
304.45313	1.9
312.33521	1.9
313.27368	2.4
317.12720	2.4
374.16562	1.4
420.41550	1.7
443.23080	2.1
451.36392	11.1
468.37662	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	468.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04572	0.4
56.55175	0.4
60.04523	0.5
62.49483	0.4
68.18948	0.4
70.71828	1.2
80.02397	0.8
81.03188	0.8
82.02699	1.0
83.33041	0.4
85.02876	0.7
107.04912	0.5
121.04936	0.7
122.05795	5.5
132.04436	0.6
138.05301	0.5
139.03960	1.0
139.06073	1.5
142.47876	0.4
147.04459	0.9
162.02875	1.0
163.03923	0.7
166.04707	0.6
169.04723	1.0
171.05008	1.1
179.04939	0.4
184.05817	4.4
226.06908	2.5
241.53218	0.5
256.07977	0.6
298.09317	0.4
312.10626	1.7
328.10071	4.0
438.13501	0.8
439.62949	0.4
460.66013	0.5
468.14804	100.0
469.15152	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90453	1.4
53.03925	1.7
55.05508	9.8
57.03425	1.5
57.06819	2.6
57.07080	29.7
59.04998	4.4
67.05508	88.7
69.03393	1.4
69.07064	9.8
70.90683	4.6
71.05019	1.8
71.08636	16.6
79.05484	2.0
81.07056	24.5
83.08645	12.2
85.10181	12.2
91.05469	6.3
93.07056	3.5
95.08617	22.2
97.10184	3.1
104.53954	1.5
107.08578	1.7
109.10162	63.1
111.08118	1.5
119.08572	3.3
123.11723	3.8
155.10674	2.0
166.78427	1.3
173.11751	19.8
239.23750	6.1
260.03534	1.5
445.48398	1.6
467.37354	100.0
468.37903	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36728	0.8
53.69461	0.8
55.05512	8.4
57.07079	24.4
59.04992	3.5
65.03928	1.9
67.05507	77.5
67.11199	1.0
69.07075	6.1
70.79572	2.5
71.04977	2.5
71.08279	1.6
71.08636	21.4
71.76101	1.0
79.05505	2.4
81.07062	21.9
83.08624	12.1
85.06548	2.0
85.10185	10.2
89.06013	0.8
91.05479	7.5
93.07047	4.3
95.08611	18.4
97.10165	3.9
99.11742	1.6
107.08627	1.8
109.10159	64.1
111.08066	2.5
119.08596	3.4
123.11709	4.1
133.10127	5.5
137.09641	2.7
137.13286	1.8
147.07996	1.1
151.98743	0.9
155.10641	3.1
173.11737	21.4
215.02910	0.8
236.08493	1.0
239.23723	7.0
295.22858	1.0
332.47696	0.8
353.80954	1.2
381.09189	1.0
391.84482	1.1
467.37347	100.0
468.37634	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.8
57.07082	30.6
59.05002	6.1
67.05511	80.8
69.07062	9.5
69.32286	25.4
71.04992	3.2
71.08639	20.8
79.05505	2.7
81.07054	21.5
83.08620	11.3
85.10172	9.6
89.95547	2.2
91.05484	5.7
93.07059	4.4
95.08603	21.1
97.10180	6.1
98.20724	4.2
99.47784	1.9
103.45469	2.4
109.10168	58.0
111.11710	2.8
116.24955	2.2
117.07056	2.7
123.11662	2.5
128.06972	2.5
137.09657	3.5
173.11797	18.8
239.23682	8.0
312.37360	2.2
315.11383	2.8
467.37354	100.0
468.37704	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15160	4.5
53.03927	8.7
54.48343	4.6
55.01860	23.2
55.05519	38.3
57.03431	14.1
57.07074	10.7
59.11326	4.5
62.91720	4.4
67.05508	75.7
69.03400	6.6
69.07059	35.6
69.35365	28.2
69.35791	20.1
70.06580	21.1
71.04989	8.3
71.08615	16.0
79.05498	38.8
81.03423	12.4
81.07058	100.0
83.04986	13.4
83.08620	26.5
84.04514	32.8
85.02892	8.9
85.06551	6.1
85.10202	10.5
91.05480	40.4
93.07043	51.5
95.04948	23.0
95.08155	4.6
95.08619	54.0
97.06521	19.5
97.10169	8.3
98.98479	47.0
99.08105	14.1
99.82327	4.5
102.05573	5.7
105.06409	5.6
105.07035	37.5
107.04955	10.9
107.08595	37.4
109.06513	8.7
109.10168	23.9
111.08081	17.6
112.08626	5.6
113.09648	17.3
117.07037	6.9
119.08556	26.8
121.06541	5.7
121.10136	26.8
123.04413	11.9
123.08051	7.7
123.11720	16.0
125.09673	5.5
129.06989	5.3
130.04990	18.3
131.08551	14.1
131.27580	5.4
133.10127	30.6
135.08069	6.0
135.11668	16.8
137.13170	5.2
143.08459	5.8
145.10052	6.8
147.11662	23.6
148.06024	26.8
149.06050	5.7
149.09618	12.0
149.13329	11.3
151.11111	8.9
159.11705	5.7
161.05901	9.7
161.09761	5.4
161.13190	8.7
163.07549	6.7
163.11169	12.2
165.12813	27.6
173.02141	9.3
177.12715	7.3
185.13400	5.5
259.20493	10.3
266.89651	4.8
269.17407	35.2
275.20047	34.3
277.21652	64.5
294.75809	5.0
295.22662	19.3
351.25336	65.6
369.26346	81.0
431.21683	7.1
467.26361	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.30639	0.5
54.52109	0.4
55.05511	1.4
57.03429	1.0
57.23993	0.5
65.03941	2.3
67.05516	1.2
69.03432	2.4
69.07080	0.5
70.04055	0.5
70.06586	1.6
71.04994	0.5
71.24657	0.4
71.59836	1.0
79.05486	0.7
81.03420	6.7
81.07059	1.7
81.37107	0.5
83.08626	0.9
85.02908	4.0
86.09718	1.1
91.05479	1.6
93.07062	0.7
95.04974	6.1
95.08601	1.2
97.02903	5.9
97.06454	0.6
98.06033	0.9
99.04465	1.2
100.11239	3.3
103.03940	1.5
107.08604	1.1
109.02876	2.8
109.06519	0.5
109.10149	0.8
111.04416	2.6
121.02872	100.0
121.10223	0.6
122.03168	0.7
123.08062	0.6
123.11655	0.5
125.06020	2.7
125.09563	0.6
127.03915	2.8
131.55220	0.4
136.07570	0.6
137.05994	1.7
139.03902	16.2
145.05014	0.9
147.04364	0.6
151.03917	0.7
153.05476	5.3
154.06284	1.0
156.13805	0.8
163.03891	0.9
167.06924	0.6
168.13852	1.3
169.04999	1.5
170.05576	0.9
175.07526	0.5
177.05519	0.9
181.05026	0.6
184.07390	2.2
185.08078	7.3
191.03407	1.0
209.08131	0.7
210.14867	0.8
223.06075	2.6
265.07089	9.3
275.09207	4.1
283.08099	5.2
283.20233	1.0
288.05032	0.7
293.10355	1.3
295.20361	1.0
302.07565	0.6
303.07703	1.0
304.07968	1.0
305.08163	0.7
305.11389	0.7
373.57306	0.6
403.04425	0.5
435.07239	0.6
449.34155	0.5
467.10379	0.9
467.18939	0.5
467.27426	0.6
467.35922	3.3
476.76614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01887	11.5
55.02103	2.0
55.05512	31.0
57.03431	7.7
57.07074	7.5
65.03952	4.2
67.05507	52.4
69.03432	5.6
69.07068	25.2
69.74660	8.9
69.75080	4.1
70.06583	3.3
71.05000	4.6
71.08641	14.1
79.05498	32.5
81.03414	6.2
81.07063	94.9
81.65189	2.3
83.04988	17.8
83.08626	19.9
85.02906	4.7
85.06541	3.4
85.10172	8.3
86.80144	1.9
91.05482	38.8
91.06022	3.8
93.07054	36.1
95.04988	16.3
95.08615	35.1
97.06545	12.3
97.10144	5.2
98.98463	24.9
99.08090	13.8
105.07037	40.3
107.04944	10.5
107.08598	21.6
109.06520	21.2
109.10170	19.0
111.04431	12.4
111.08089	10.4
113.09659	10.5
114.53098	1.8
117.07042	9.0
119.08587	24.3
121.02866	2.5
121.06533	6.1
121.10134	18.2
123.04482	3.0
123.08078	8.2
123.11765	10.7
125.09617	1.9
129.05524	3.2
129.06981	3.1
131.08575	13.0
133.10129	23.3
135.07996	4.4
135.11725	10.4
137.09613	5.9
139.03922	5.3
139.11194	3.2
143.08621	2.3
145.10118	15.2
147.08136	2.4
147.11697	25.6
148.56714	1.8
149.09624	9.3
149.13268	7.4
151.11234	5.2
153.12851	2.2
157.10123	3.0
159.11726	9.9
161.09660	3.9
161.13295	8.0
163.11205	12.2
165.12749	18.4
171.07899	1.9
171.11685	4.3
173.02231	3.1
173.13322	5.5
175.11195	4.1
175.14711	2.9
177.12775	4.3
179.14346	7.1
183.11760	2.9
185.13304	2.3
187.13315	2.0
189.12811	2.1
193.12268	5.0
215.17871	2.4
219.13904	2.4
219.68269	2.4
221.15495	2.6
222.77675	2.3
229.14275	2.8
229.19499	4.1
231.21007	2.3
239.17918	6.4
247.20564	4.0
249.21967	2.5
257.19003	11.3
259.20615	4.6
265.21606	3.1
275.20078	100.0
277.21667	44.3
277.24704	2.9
293.21097	26.2
295.22672	8.8
333.23746	2.1
351.25323	44.2
367.17529	2.2
369.26364	55.3
449.25644	5.6
467.26541	22.4
467.32159	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	466.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03826	0.6
52.62726	0.7
55.05512	11.4
57.03443	6.4
57.07071	5.0
65.25273	0.6
67.05506	11.5
69.07069	17.2
69.65879	2.9
69.66300	1.8
71.05014	0.8
71.08630	2.2
79.05484	4.5
81.07059	9.4
83.04984	0.7
83.08626	9.8
83.77839	0.6
85.06558	0.7
85.10187	1.3
91.05487	1.0
93.07045	6.1
95.08605	9.3
95.66705	0.6
97.06514	0.9
97.10169	6.6
98.57732	0.7
107.08617	3.2
109.10162	4.0
111.08116	1.2
111.11716	1.8
121.10142	6.3
130.70203	0.6
135.11719	3.4
137.13260	1.2
139.11168	0.8
149.13315	1.5
151.14798	1.1
163.14763	0.7
186.22893	0.6
197.61343	0.7
251.23679	1.0
294.27972	2.7
325.27380	100.0
326.27817	3.0
345.05640	0.6
358.27435	0.6
382.76605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	6.0
58.06596	1.2
65.03931	1.2
68.04961	0.3
69.07071	0.4
70.06596	13.8
71.00183	1.0
71.08633	2.4
81.07039	0.6
85.10182	0.9
86.09713	0.5
88.07635	15.4
91.05476	0.7
93.07030	0.4
102.09186	13.3
103.01859	0.4
121.02863	0.5
132.10190	0.6
137.05984	0.6
139.03928	1.5
146.11729	0.7
149.02350	44.4
149.03380	2.0
193.04974	44.7
194.05307	0.4
212.23779	0.7
217.09579	0.4
237.07582	46.6
238.07936	0.5
256.26358	38.6
257.26648	0.7
300.28989	2.2
368.25305	0.6
402.01138	0.4
466.31674	100.0
467.32019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80516	0.2
54.07322	0.2
56.96548	0.4
61.88932	0.2
71.59528	0.3
98.97536	0.4
110.88909	0.2
116.98609	0.6
134.99635	0.7
140.99055	0.2
177.00923	0.6
180.96831	0.4
183.00079	0.2
192.98886	0.4
216.98898	0.6
219.01961	0.7
222.97787	0.9
223.98434	0.3
234.99992	7.1
236.00098	0.6
236.99823	0.2
240.98882	1.9
241.71291	0.2
253.01094	2.6
254.01303	0.3
258.01477	0.2
259.00000	22.0
260.00098	2.3
260.99966	0.6
261.03088	0.9
262.03134	0.3
263.98120	0.2
264.98776	3.0
273.98819	0.4
277.01056	30.5
278.01147	3.8
279.01111	0.9
282.01593	0.8
282.99982	43.5
284.00082	4.1
284.99805	0.7
285.99988	0.2
291.99768	0.8
300.02576	1.0
301.01044	100.0
302.01169	9.3
303.00916	2.1
304.00989	0.7
315.02753	0.2
316.98801	0.6
318.98541	0.4
319.02106	7.3
320.02319	0.7
324.02676	4.5
325.02808	0.6
342.03625	0.3
343.02155	0.6
359.00082	0.9
361.03592	0.2
364.98917	1.1
379.81454	0.2
382.99948	0.7
401.01212	4.0
402.01279	0.8
406.99973	4.9
408.00235	0.7
424.02734	0.4
425.01141	21.8
426.01227	3.9
427.01443	0.2
442.03668	0.5
443.02234	86.4
444.02356	11.6
445.02386	1.5
446.01678	0.4
457.04071	0.3
461.03427	1.1
466.03827	9.3
467.03769	2.1
468.03616	0.3
471.05826	0.2
485.03027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.7
57.03439	2.7
60.04521	2.2
61.02923	1.7
69.03429	5.0
69.07071	1.5
70.06588	4.7
70.57171	1.2
71.05005	1.5
71.59169	1.9
73.02947	1.6
76.07650	1.4
78.51212	1.1
79.05502	5.6
81.03416	3.7
85.02905	11.8
86.06079	1.5
91.05486	4.1
95.04963	3.0
95.08593	2.4
97.02898	4.5
103.05473	5.1
104.75357	1.5
105.07041	7.2
107.04961	52.9
107.08625	1.6
109.02917	2.4
109.06551	2.1
111.04418	1.7
115.05431	3.1
117.07030	1.5
119.08598	2.5
122.06001	1.6
123.04435	3.2
124.05206	2.4
124.07598	3.6
125.06028	2.7
127.03943	3.1
131.04959	4.1
133.06487	1.9
133.10126	1.5
135.08058	17.5
136.03937	4.9
137.05931	2.2
140.07057	2.1
142.08600	5.5
145.05043	3.0
145.07623	1.8
147.04454	2.5
151.03894	6.6
154.06313	2.0
162.05511	19.2
163.05902	13.0
163.07564	44.0
165.09125	2.3
167.07042	100.0
180.07854	3.3
181.08395	2.1
193.08617	4.8
193.15942	1.5
195.10155	33.9
211.09674	8.8
213.11220	89.7
276.08832	1.8
287.14902	66.9
300.82913	1.4
303.13461	6.4
304.08350	12.5
304.13885	17.7
336.67267	1.3
409.11185	2.1
448.17056	2.0
466.16730	18.5
466.25778	1.9
467.15686	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	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71245	0.8
55.01852	1.0
55.05516	5.3
57.03443	6.1
57.07091	0.8
60.05638	1.6
61.02919	2.8
67.05180	1.4
67.05509	17.5
69.03423	2.6
69.06785	0.9
69.07070	9.1
70.06595	12.1
70.71904	2.0
71.01326	0.9
71.04993	2.2
71.06926	1.7
72.08139	1.2
73.02922	1.8
79.05489	10.4
81.03414	2.4
81.07062	32.7
82.07377	1.4
82.77704	0.9
83.04968	3.4
83.08624	5.2
85.02909	5.0
85.06525	1.1
85.23727	0.8
91.03952	1.9
91.05488	7.7
93.07049	19.2
95.04962	3.3
95.08613	9.7
97.02873	2.5
97.06545	4.1
97.10169	2.3
99.04456	1.4
99.08081	2.1
105.07037	4.8
107.04942	1.6
107.08601	11.7
109.02879	0.9
109.06525	1.0
109.10157	3.8
110.10475	1.0
111.08078	2.7
111.11697	1.7
112.08715	1.6
114.10274	1.4
115.03897	1.2
117.07021	3.0
119.08575	2.8
121.06423	1.1
121.10162	6.9
123.08044	1.0
123.11723	1.7
125.05984	1.7
125.09607	1.2
127.03929	2.2
130.09741	1.2
131.08549	3.7
133.04932	1.1
133.10112	3.7
134.10451	0.9
135.08083	1.4
135.11670	4.3
137.05971	2.3
137.13222	2.8
139.03847	0.9
147.11690	2.9
147.25002	0.9
149.13268	14.5
153.05432	1.9
158.09296	1.2
159.11693	6.6
175.12004	4.7
177.12772	4.8
193.08569	0.8
195.13870	4.7
203.10374	0.9
203.14291	0.8
213.14795	1.3
269.17496	100.0
270.17743	1.7
275.50919	0.9
304.13705	1.4
430.30118	1.6
431.23016	1.8
448.31561	2.4
466.31287	2.6
467.21970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.3
56.96564	2.3
67.05525	1.7
69.03423	2.0
69.07053	2.3
69.43038	1.2
70.06581	5.4
71.60531	2.2
79.05483	3.0
81.03383	3.0
81.07053	3.7
83.08610	1.6
85.02912	2.7
89.03924	2.0
91.05491	4.1
93.06987	1.6
95.08654	1.7
100.11238	3.1
105.06991	2.6
107.08599	1.9
109.10134	4.5
121.10131	2.3
123.11655	1.6
127.03918	2.2
137.06027	2.0
144.93788	1.3
147.04323	1.3
163.03880	2.4
171.11729	1.5
177.05464	1.9
296.23615	1.5
304.09457	74.7
304.15234	3.3
317.06454	1.8
334.06561	2.9
340.10898	3.0
465.33481	7.1
465.83401	7.6
466.14780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13784	1.2
53.03942	2.0
55.01880	2.0
55.05515	6.9
55.55871	1.1
57.03426	1.4
57.07071	2.4
59.68620	1.0
61.02927	1.5
65.03933	1.1
67.05508	13.4
69.03432	4.8
69.07066	7.4
69.37793	1.1
70.06592	14.7
70.12472	3.8
71.04981	1.3
72.08151	1.4
79.05470	6.3
81.03412	3.0
81.07063	21.2
83.04966	2.3
83.08624	3.7
85.02898	2.6
85.06555	3.1
85.54005	1.1
91.03944	1.5
91.05475	6.5
91.19453	1.3
93.07053	8.4
95.04976	2.9
95.08606	21.2
95.09161	1.8
97.02887	2.2
97.06551	2.7
97.10155	2.5
98.20764	1.4
99.04447	1.4
99.08085	2.5
105.07037	7.9
107.04948	3.0
107.08585	9.0
108.09010	1.1
109.02896	2.0
109.06528	3.9
109.10156	14.9
110.61774	1.1
111.04456	2.1
111.08076	1.5
111.11746	1.7
112.08738	2.4
114.10297	1.7
116.09966	1.1
117.07035	2.3
119.08590	5.6
121.06528	3.3
121.10123	5.5
123.08082	9.3
123.11695	6.5
125.09641	1.2
127.03910	2.0
131.08594	3.1
133.10144	4.2
135.08049	4.0
135.11725	4.5
137.06000	2.6
137.09636	1.8
137.13245	2.2
138.29660	1.0
139.11121	1.5
142.07867	1.1
145.10141	2.6
147.04408	1.7
147.11659	2.6
149.09641	2.1
149.13261	3.4
151.07545	100.0
151.15021	1.2
153.05482	1.8
153.12775	2.2
159.08069	1.8
159.11668	1.6
161.09651	1.6
163.07567	3.5
163.11241	2.6
165.09161	2.4
171.16589	1.2
175.07549	1.3
177.09166	2.7
189.09091	1.9
191.10660	20.2
193.04938	1.5
193.12312	1.3
205.12167	1.5
219.13863	1.6
229.14328	1.5
233.09357	1.6
275.20090	3.9
291.19827	1.4
291.26685	1.6
293.21060	1.5
303.13266	1.9
303.23212	1.7
309.27838	2.5
367.24561	2.1
421.30899	2.1
429.33664	3.4
447.26895	2.0
465.29962	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	465.3076
Annotation	Bu 4164E-B
Peak:m/z	Relative Intensity
51.17938	0.2
53.03961	0.3
55.05517	1.5
57.03435	0.3
57.07080	0.3
60.05643	0.6
67.05502	1.9
68.05033	0.8
69.03444	0.7
69.07069	1.6
69.96101	0.9
69.96516	0.4
70.06594	100.0
71.05003	0.4
71.06924	0.6
72.08151	0.2
79.05495	1.3
81.03425	0.8
81.07058	2.7
82.06572	0.2
83.05003	0.3
83.08616	0.7
85.02923	0.5
85.06539	0.6
85.07675	0.4
87.04496	0.2
91.03950	0.3
91.05468	1.2
93.07063	1.6
95.04988	1.3
95.06127	0.4
95.08612	2.1
97.02895	0.5
97.06528	0.3
97.07656	0.3
97.10199	0.7
98.98494	0.5
99.04453	0.4
99.08134	0.3
105.07033	1.4
107.04983	0.4
107.08595	1.6
109.02889	0.5
109.06535	0.7
109.10163	1.9
111.04441	0.6
111.08112	0.4
112.08734	25.2
114.05550	1.0
114.10303	0.9
117.07024	0.4
119.08611	1.0
121.06548	0.5
121.10175	0.8
123.08084	0.9
123.11733	0.6
125.09643	0.6
127.03944	0.5
129.07022	0.3
131.08612	0.6
133.10158	0.7
134.09624	0.2
135.08026	0.3
135.11723	0.9
137.05989	1.0
137.09645	0.4
139.11263	0.4
145.06671	0.2
145.10152	0.8
147.04503	0.3
147.08195	0.3
147.11676	0.5
149.09644	0.6
149.13365	0.3
151.07542	3.5
151.08669	0.4
151.11157	0.3
153.09100	0.3
157.10165	0.3
159.11736	0.5
161.06023	0.3
162.12706	0.2
163.07500	0.3
163.11218	0.7
165.09105	0.6
167.00464	0.2
167.07047	0.2
173.13226	0.2
175.11942	0.5
176.07053	0.3
177.09161	0.4
177.12772	0.3
191.10655	1.1
193.12155	0.3
203.10681	0.3
205.12273	0.3
275.20081	0.4
285.21866	0.3
292.22668	0.3
293.21216	1.0
310.23721	1.5
310.26935	0.2
321.24265	0.2
333.06128	0.3
335.32233	0.3
367.24908	1.5
404.28973	0.4
419.30060	0.4
429.29938	0.3
447.29910	0.7
465.30762	22.5
466.30963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.225
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
53.03950	8.6
55.05496	24.9
57.03430	10.7
65.27722	8.8
67.05507	59.5
69.03416	12.9
69.07046	36.7
70.06580	65.1
70.84258	24.1
70.84622	10.9
79.05487	47.8
81.03415	21.9
81.07060	100.0
83.04948	11.8
83.08605	11.8
91.05463	31.9
93.07030	39.0
95.04974	21.8
95.08627	51.3
97.06532	16.9
98.98444	26.5
99.08074	11.0
105.07001	33.9
106.63631	8.0
107.04959	17.4
107.08588	33.8
109.06490	23.5
109.10133	35.3
112.08727	25.6
114.05458	15.5
117.07001	14.6
119.08569	19.0
121.10128	22.3
123.08058	12.4
125.05935	10.6
125.09647	14.2
131.08527	18.7
133.10129	15.5
135.11676	9.3
137.06004	15.4
138.06580	16.5
139.03902	12.1
144.09106	8.3
145.10097	15.2
147.08067	10.6
147.11678	20.7
149.09650	13.0
151.07538	12.7
152.30717	8.1
159.11662	11.4
161.09624	10.4
171.18056	8.1
173.13338	11.1
174.32780	9.2
189.55017	9.2
191.10706	11.1
193.12300	12.2
218.26486	8.8
275.20016	32.4
302.58817	8.9
333.55698	10.4
349.23633	30.1
352.74301	8.6
367.24869	49.0
370.23801	16.2
388.24661	17.3
406.25729	20.7
447.27826	11.4
465.30853	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01870	12.1
55.05513	42.6
57.03443	12.0
57.07060	3.0
62.97737	2.4
67.05168	3.7
67.05504	34.7
69.03434	4.9
69.07067	27.1
70.06592	17.9
71.04986	7.5
71.25184	5.6
79.05067	2.5
79.05495	36.3
81.03417	10.7
81.07056	50.1
83.04975	20.4
83.08621	32.3
85.02894	8.1
85.06548	5.1
91.05485	30.9
93.07051	46.4
95.04975	60.6
95.08613	24.6
97.06521	11.0
97.10159	11.6
98.98471	31.7
99.04453	10.1
105.03390	2.8
105.07026	25.3
107.04935	15.8
107.08604	37.3
109.02887	2.6
109.06515	9.8
109.10174	18.5
111.04454	19.0
111.08107	14.6
112.08704	3.0
117.06992	11.7
118.13161	2.5
119.08588	22.9
121.06475	9.0
121.10143	19.5
123.04389	4.3
123.08058	10.0
123.11723	7.9
125.05984	3.5
125.09621	13.7
129.06995	5.1
131.08556	17.3
133.10118	16.2
135.08076	7.9
135.11642	14.3
137.05980	9.1
137.09613	4.7
139.11186	6.0
143.08527	4.9
145.06578	2.8
145.10139	21.9
147.08018	6.4
147.11691	13.1
149.09630	23.1
149.13283	4.5
151.07468	3.2
151.11154	2.6
153.09102	6.8
153.12689	4.7
155.01141	3.3
157.10098	5.6
159.11696	12.7
161.09549	3.8
161.13329	4.6
163.11186	29.1
165.12766	6.8
167.10670	3.2
169.10051	3.0
171.08058	2.8
173.02043	4.8
173.13260	3.4
175.11781	2.2
177.12732	7.8
181.12257	5.7
183.11635	2.4
187.07520	4.4
187.11128	2.2
189.11253	16.5
189.12782	3.5
191.10629	3.1
193.12248	3.4
205.12231	5.6
223.13289	50.4
227.12878	4.2
229.19519	3.4
239.17911	6.0
247.20503	3.3
257.18967	13.6
266.98462	2.7
269.17560	4.3
275.20074	78.8
276.93970	2.7
277.10648	2.8
293.21100	51.2
349.23730	51.1
367.24799	100.0
368.25171	3.6
465.29865	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	465.2254
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
50.50900	1.4
55.01865	3.3
55.05519	14.2
56.96563	2.5
57.03421	5.7
57.07060	3.2
67.05518	18.5
67.75494	1.6
69.03433	2.9
69.07071	15.6
70.06588	1.7
71.04982	1.9
71.08636	19.3
71.60131	3.3
76.64170	1.6
79.05508	13.2
81.03424	4.8
81.06721	1.4
81.07066	16.1
83.04986	6.5
83.08616	7.1
87.53809	1.9
91.05499	7.9
93.07063	10.1
95.04958	5.1
95.08630	7.6
97.06538	2.3
97.10165	6.8
98.98469	19.1
99.08104	14.2
105.07034	5.6
105.76866	1.5
107.04978	4.6
107.08617	7.8
109.06521	2.1
109.10176	8.2
111.08064	2.1
117.07014	3.1
119.08581	4.4
121.06537	4.2
121.10152	3.6
125.09628	5.0
131.08588	3.7
133.10127	4.8
135.11671	2.5
137.05960	2.6
139.11230	1.9
149.09621	2.5
149.13243	2.3
151.07782	1.8
151.11197	4.5
153.12492	1.8
159.11772	1.6
161.09583	1.9
171.11679	1.7
173.02161	3.7
177.12766	4.9
179.10620	2.1
189.11226	2.8
193.12251	2.0
195.13786	2.0
227.12726	3.5
267.15994	3.0
275.20139	8.7
293.21124	100.0
303.05154	2.2
331.15790	6.1
337.02426	5.0
349.16959	9.9
349.23737	3.9
367.17773	3.8
367.24832	69.5
372.18655	3.3
393.08481	6.2
429.20245	6.9
434.96545	1.9
447.21481	6.9
465.29004	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	465.1031
Annotation	Patuletin 3-xyloside
Peak:m/z	Relative Intensity
51.76291	0.5
51.90609	0.3
54.32388	0.3
57.03440	3.1
57.40037	0.4
61.02880	1.2
61.14049	0.4
62.77259	0.4
69.03432	2.3
69.07037	0.4
69.77856	2.7
71.01315	0.7
73.02915	4.4
73.04795	0.4
75.94386	0.4
78.15456	0.4
81.03369	1.1
81.07005	0.7
85.02908	4.9
91.05431	0.7
97.02924	1.9
98.20737	0.6
99.04405	0.7
105.06960	0.4
109.02833	1.4
109.10175	0.4
115.03893	0.5
121.02824	0.7
121.09935	0.4
123.04398	0.6
126.03125	0.5
127.03848	1.1
137.02295	1.6
137.05984	2.5
142.07681	0.4
143.06480	0.4
145.03020	0.5
145.04959	0.8
153.01842	5.3
166.02560	0.9
173.06053	0.4
177.05432	0.6
179.03334	0.4
183.57986	0.4
193.01329	0.5
201.05534	0.5
205.55551	0.4
212.02325	0.4
216.04262	0.5
217.04906	0.4
219.02846	1.4
229.05003	1.0
230.02179	0.5
233.04428	0.9
234.05350	0.5
244.03694	2.4
245.04457	1.7
257.04459	0.9
261.04025	1.6
272.03210	1.1
273.03998	1.5
285.12439	0.5
287.05197	0.7
289.03418	1.5
290.04245	4.2
301.03400	4.5
303.04987	28.9
317.02933	6.5
318.03711	49.8
319.04062	0.9
333.06049	100.0
334.06329	2.1
465.10318	36.6
466.10831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	0.7
55.01873	0.5
57.03417	0.8
61.02673	0.2
61.02923	1.8
61.06375	0.2
65.03931	0.3
68.99782	0.6
69.03429	3.1
70.06245	0.2
70.86819	0.5
71.04993	1.1
73.02902	0.5
81.03404	1.6
85.02907	10.6
87.04456	0.5
91.03934	0.7
93.03377	0.3
95.04951	0.5
97.02358	0.3
97.02901	3.0
99.04435	0.8
109.02879	1.4
111.00800	0.9
121.02868	1.1
123.04432	0.3
127.03909	1.8
127.96851	0.2
129.05421	0.2
131.04822	0.2
137.02341	4.0
145.04939	2.0
145.06371	0.3
149.02380	0.3
153.00711	0.4
153.01839	4.2
163.03937	1.1
165.01855	2.3
183.02873	0.9
183.04352	0.3
187.03937	0.5
195.02870	0.3
201.05470	1.8
215.03531	0.2
219.03009	0.3
229.02809	0.2
229.04947	4.9
229.15411	0.4
238.16010	0.9
238.66124	1.0
239.16029	0.5
247.06004	0.7
257.04453	3.1
274.04709	0.7
285.04074	1.1
303.04993	100.0
304.05368	3.7
319.04477	3.1
331.04501	0.9
332.05106	0.3
343.04587	0.3
361.05496	0.9
385.05685	0.3
429.08286	0.7
439.43530	0.2
447.08917	0.7
447.29947	0.3
465.10092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Larycitrin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
51.50623	0.7
53.03945	1.0
55.01873	1.5
55.05505	1.2
56.96560	1.0
57.03434	1.9
59.04991	0.8
61.02922	2.6
67.05508	1.4
68.99805	0.7
69.03445	4.6
69.07061	1.5
70.06587	2.3
70.18971	3.0
70.19349	1.4
71.04988	2.3
72.08146	1.5
73.02916	13.2
73.28478	0.7
78.23972	0.6
79.05495	2.7
81.03410	3.4
81.07047	4.9
85.02921	5.3
85.03342	0.9
87.04453	1.7
91.05479	2.6
93.07010	3.5
93.45679	0.8
95.04967	1.6
95.08599	1.8
97.02898	4.0
97.06509	1.8
101.65162	0.6
103.05488	1.1
105.07041	2.0
107.04963	1.3
107.08601	3.3
109.02900	2.1
109.06483	0.8
109.10167	2.0
111.00766	1.2
114.10303	1.2
115.03937	4.5
116.98672	0.8
119.08527	0.8
120.08078	0.8
121.02814	0.9
121.06508	1.0
123.04444	2.2
123.08045	0.8
124.07546	1.1
127.03922	2.0
129.06981	0.7
131.04909	1.1
133.04973	3.2
133.10167	1.0
135.08089	1.0
135.11694	3.8
137.02344	5.6
137.05984	4.7
139.03926	2.7
145.04950	1.8
147.04395	1.2
151.03957	1.5
151.07513	1.4
153.01860	4.5
153.05569	1.1
153.11546	0.9
153.12764	16.5
155.07077	1.2
161.05980	3.1
163.03932	1.8
164.06975	1.0
165.01813	1.6
167.03430	1.8
167.07054	5.7
170.46259	0.7
172.39386	0.7
175.07526	1.1
177.05417	0.9
181.08574	1.6
182.46918	0.7
189.05499	1.1
189.09137	2.6
191.03404	1.0
191.06944	0.9
193.04959	1.2
193.12210	0.9
206.05782	0.8
207.06543	1.1
217.04997	2.1
219.02928	2.7
219.10217	1.3
233.04422	0.9
241.01097	0.8
243.02707	0.9
244.03654	2.1
245.04463	3.3
261.04019	1.0
267.15945	1.5
267.19537	1.0
268.16367	1.2
273.03940	3.2
285.08432	1.2
289.03503	1.4
290.04373	1.3
295.09918	0.8
301.03470	4.9
303.05054	11.5
303.09824	1.6
303.13187	1.6
304.05667	0.9
315.12131	1.0
317.13834	0.9
318.03711	9.2
319.04507	1.2
333.06061	100.0
334.06357	3.2
343.15439	1.3
361.12604	2.1
361.16522	4.0
391.13776	0.9
465.17493	7.2
483.79248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01872	1.2
55.05515	0.6
57.03433	2.0
57.07062	0.5
61.02931	2.4
65.03931	0.6
67.05502	0.7
69.03429	5.4
69.07072	1.1
70.06603	0.6
71.04995	1.9
71.59508	0.8
78.78279	0.6
79.05474	0.7
81.03413	2.5
81.07051	1.8
85.02908	13.0
85.03426	0.8
86.09708	1.4
87.04460	1.7
91.03936	1.0
91.05489	0.9
93.07042	2.5
95.04955	0.9
95.08601	1.3
97.02886	6.0
98.63680	0.5
99.04450	0.7
107.04992	0.5
107.08604	1.5
109.02897	1.7
109.10159	0.7
111.00828	0.9
115.03943	1.8
117.93763	0.4
119.08598	0.6
120.08115	1.0
121.02873	1.0
121.06538	0.5
121.10232	0.7
123.11852	0.5
124.07607	0.6
127.03912	2.1
133.04977	1.7
135.04428	0.8
135.11714	2.1
137.02345	9.0
139.03954	0.7
143.11732	0.6
145.04999	1.5
147.04361	0.6
148.67676	0.5
149.02429	0.5
151.03928	4.1
153.01848	3.8
153.12729	7.2
163.03960	4.5
165.01840	2.0
177.05539	0.6
181.04997	1.6
183.02931	1.1
191.03403	0.8
201.05492	2.0
201.07317	0.5
212.07123	1.8
219.06534	0.5
229.04965	4.5
242.08110	1.1
253.07381	0.5
257.04440	2.5
261.07474	0.7
278.10300	1.1
285.03912	1.4
299.07547	1.2
303.05008	100.0
304.05261	3.3
319.04422	1.2
333.06149	1.0
465.23303	2.4
479.83719	0.6
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
55.01863	4.1
55.05501	3.3
56.05025	1.8
57.03442	18.2
59.04986	5.4
60.18728	1.5
61.02922	4.7
67.05499	6.9
68.64610	1.5
69.03433	68.4
69.03812	3.9
69.07076	1.9
69.48734	14.2
70.06593	4.0
71.04986	2.0
72.08183	3.3
73.02907	3.7
75.04491	3.6
79.05485	2.8
81.03413	4.4
81.07080	3.8
83.04992	2.6
83.87626	1.9
85.02911	56.0
87.04477	51.9
87.05028	2.9
88.04012	1.9
93.07028	2.4
95.05014	2.3
95.08614	3.2
97.02898	66.9
98.20836	2.7
98.97581	2.1
99.04487	1.9
107.08600	3.8
109.02882	3.4
109.06493	2.1
109.10155	5.7
110.10469	3.3
114.10268	2.4
115.03937	93.5
119.08583	2.2
121.02881	39.1
121.10091	3.2
127.03877	9.4
133.04976	100.0
137.05960	3.2
139.03871	1.9
139.07550	2.0
145.04980	8.9
146.99585	2.0
153.05482	63.2
169.04927	2.0
173.11774	2.0
173.88895	1.8
177.16396	3.6
179.07137	1.9
224.08052	4.3
229.14409	2.4
230.14743	4.9
237.02809	2.4
240.09538	1.9
241.07062	3.0
259.08206	4.7
261.95508	1.6
267.12326	3.3
267.16101	1.6
277.09158	2.4
303.05057	18.3
319.04630	4.3
340.69839	1.9
464.17511	5.1
465.13605	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01876	1.9
55.05526	0.5
56.48301	0.4
57.03437	4.0
61.02638	0.6
61.02934	7.7
65.91912	0.4
69.03429	13.3
70.06574	0.6
70.13853	0.9
70.14265	1.3
71.04995	2.5
73.02921	3.4
79.05492	0.5
81.03422	6.8
83.01333	0.4
83.04974	0.4
85.02907	100.0
87.04482	2.6
91.03958	5.3
91.05487	0.6
92.04762	2.8
95.05009	0.6
97.02895	26.0
98.97581	0.5
99.04453	4.1
101.02357	0.4
102.54254	0.4
103.03958	0.9
105.07032	7.4
109.02877	8.6
115.03937	0.7
117.07028	0.9
119.08604	1.1
127.03918	29.4
133.06509	0.6
133.10245	0.5
135.06543	0.5
143.08623	0.4
145.04962	53.8
147.08069	1.0
151.11168	0.6
157.10083	0.4
161.06079	0.6
162.05266	0.4
163.06024	29.8
167.05536	1.8
167.06973	0.6
169.04779	1.5
178.06317	0.5
180.06339	4.0
180.08733	0.6
181.07074	0.5
185.09648	0.4
189.09134	0.5
201.09154	0.6
204.08684	0.6
222.07419	2.2
231.10214	2.1
249.11337	1.5
252.08554	1.0
261.12946	0.4
267.12204	0.7
267.16257	0.4
271.08057	0.5
282.09540	0.7
284.18781	0.5
285.13333	5.4
289.09128	0.9
302.19699	1.5
303.05072	0.5
303.12332	0.4
308.11212	1.1
324.10519	2.4
325.11282	2.2
385.14105	0.4
430.15942	0.4
464.15317	53.2
465.15305	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	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.05500	11.4
56.28086	2.3
57.03428	5.0
61.02929	3.3
65.03942	3.8
66.62774	2.5
67.05506	21.2
68.87600	2.7
69.03436	6.4
69.07070	15.4
69.96169	13.2
70.06578	8.1
79.05492	10.9
81.03418	76.0
81.07057	26.5
82.07381	5.4
83.04990	7.7
83.08620	21.3
85.02897	9.3
91.03931	3.4
91.05454	15.0
93.07053	17.8
95.04968	26.6
95.08610	16.9
96.08939	5.1
97.02882	5.3
97.06546	3.5
97.10175	5.7
98.21595	2.9
105.07045	14.7
107.04947	4.2
107.08604	9.7
107.15299	3.1
109.06500	4.3
109.10168	8.3
110.10480	3.9
111.04429	5.7
111.08080	8.2
117.06960	3.5
119.08589	16.3
121.10123	7.8
123.08057	11.1
123.11723	3.1
124.08382	5.0
127.11099	4.8
129.07007	6.2
131.08594	9.1
133.10156	5.6
135.08128	3.4
135.11670	4.2
137.05965	5.8
138.06613	8.4
142.07750	3.9
145.10049	3.5
147.11682	9.1
149.02391	16.6
149.09634	6.2
151.07552	100.0
152.07904	47.3
154.13101	3.7
157.10121	8.3
175.11090	15.1
177.09154	7.2
178.09441	5.1
182.72925	2.8
191.10699	22.3
192.11031	16.0
193.04956	18.8
193.12244	69.2
205.12245	6.0
206.08101	4.3
206.12589	6.5
207.08392	5.8
211.13231	7.0
233.13655	8.1
237.07544	12.4
248.84343	3.1
267.15912	46.5
277.79449	3.8
285.16962	45.5
309.16916	11.3
336.17743	5.1
369.22620	4.0
385.09305	6.8
387.23523	9.8
405.24612	16.9
409.25620	3.3
410.31458	3.2
428.32458	5.3
429.11868	8.6
429.26300	3.6
446.28577	7.1
464.29538	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07606	0.7
51.68427	0.8
55.01876	0.9
55.05515	4.8
57.03423	1.1
57.07062	0.8
65.03915	1.1
67.05511	10.9
68.05019	1.5
69.03400	3.0
69.06731	0.7
69.07069	10.7
70.06592	5.4
71.04990	1.0
71.14902	1.8
79.05499	4.3
81.03434	4.9
81.07058	12.5
83.04972	1.8
83.08604	2.7
85.02863	0.9
85.06522	1.4
85.07649	1.2
91.05466	4.8
93.07047	5.4
95.04960	2.7
95.08606	14.2
97.02883	0.8
97.06529	1.0
97.10188	1.5
98.62164	0.9
99.08080	0.9
103.05443	0.8
105.07046	6.1
107.04950	2.1
107.08612	5.8
108.05673	0.8
109.06519	1.8
109.10155	8.8
111.04447	1.7
111.08077	2.1
111.11712	1.3
113.06023	1.0
114.05524	6.7
117.06989	1.3
119.08578	3.2
121.06467	1.4
121.10150	2.9
123.07204	0.8
123.08084	12.5
123.11701	3.2
125.09613	2.0
127.11146	1.8
129.06998	0.9
131.08563	2.5
133.06471	1.0
133.10132	1.8
135.08073	3.1
135.11681	3.3
137.05981	4.5
137.09550	0.9
137.13316	1.4
138.06622	11.7
139.07526	0.9
143.08549	1.1
145.10094	2.3
147.08058	0.8
147.11696	2.3
149.02386	4.5
149.09604	2.1
149.13246	1.0
151.07545	100.0
153.12732	3.3
156.10016	1.0
157.10136	1.6
159.08012	1.2
159.11687	1.7
161.09622	1.7
161.13239	1.1
163.07597	0.8
163.11203	2.7
163.14787	1.0
165.09084	1.2
167.07037	0.9
171.13852	0.9
173.09659	1.6
175.11189	1.5
176.08307	1.4
177.07796	2.7
177.09151	6.8
178.05043	1.4
185.13339	0.9
187.11192	1.3
189.09149	2.6
190.08688	2.4
191.07063	0.9
191.10681	26.9
193.04999	5.0
193.08565	0.9
193.12277	3.0
203.10707	2.4
205.07381	1.5
205.12271	9.6
206.08125	5.8
215.10707	2.9
216.13869	1.3
218.08202	1.8
219.13812	1.0
227.12759	1.0
229.12242	0.9
231.10226	0.9
231.13716	2.8
232.13339	7.7
233.14024	0.9
235.13234	0.8
237.07631	2.3
237.22128	0.8
259.17001	0.9
263.23581	0.9
267.15979	1.7
271.16934	1.4
273.18500	3.1
281.18179	0.8
285.16812	1.5
286.04590	0.9
289.18240	1.0
301.07062	1.8
303.19528	1.2
306.84152	0.8
308.22162	1.1
309.17130	1.0
316.15604	1.3
334.16299	1.8
335.17444	5.4
359.18436	1.7
368.22134	4.7
385.09210	1.7
386.23221	11.6
404.24350	11.3
418.27151	0.8
427.32236	5.9
428.25528	2.9
429.11676	2.6
445.27893	3.2
445.33441	3.1
446.26590	2.0
463.29221	56.9
464.29349	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	463.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01863	0.7
55.05295	0.4
55.05511	3.7
57.03414	0.5
57.07071	1.0
59.05001	0.6
63.55484	0.3
65.03926	0.4
67.05502	7.0
67.05835	0.7
69.03437	1.6
69.06719	0.6
69.07066	8.9
70.06592	2.3
70.26457	0.8
70.26873	1.2
71.05003	0.5
72.08144	1.5
79.05490	2.9
81.03412	1.3
81.07056	11.1
83.04979	1.5
83.08618	2.5
85.02905	0.5
85.06535	1.2
90.41927	0.4
91.05477	2.3
93.07040	4.0
95.04952	1.3
95.08605	12.2
96.72170	0.3
97.06527	1.3
97.07623	0.5
97.10158	1.1
98.98389	0.3
99.08089	0.7
105.07033	4.1
107.04951	0.8
107.08588	3.4
108.05722	0.7
109.02913	0.5
109.06525	1.7
109.10140	5.8
111.04438	1.5
111.08086	0.9
111.11720	2.6
114.10281	1.7
117.06996	0.9
119.04945	0.5
119.08606	1.9
121.06492	0.8
121.10138	1.6
123.04418	0.3
123.08064	10.4
123.10971	0.3
123.11730	2.5
124.07587	0.5
125.09601	0.6
127.11183	2.3
129.06973	0.6
129.12729	0.4
131.04973	0.3
131.08545	1.4
133.06488	0.8
133.10124	1.5
134.09666	1.0
135.08064	2.7
135.11671	3.0
137.05963	1.6
137.13248	1.1
138.06694	0.3
139.11185	1.1
143.08556	0.6
145.10139	1.1
146.17387	0.3
147.08034	0.8
147.11664	0.9
148.11166	0.5
149.05965	0.4
149.09607	1.0
149.13216	1.0
151.07541	100.0
152.07903	1.4
153.12720	3.0
155.08487	0.4
159.08089	1.0
159.11694	1.4
160.11232	0.6
161.05984	0.5
161.09642	0.7
161.13217	0.4
162.06778	0.6
163.07498	1.0
163.11209	1.3
165.09100	0.9
167.07086	0.8
171.11694	0.5
173.09598	1.2
174.12816	0.4
175.07533	0.8
175.11209	1.3
175.14754	0.3
176.08372	1.2
177.09102	7.3
187.11111	0.8
188.12317	0.3
188.14386	0.4
189.09041	1.8
189.12764	0.7
190.09872	0.5
190.16006	0.3
191.10663	26.7
191.17953	0.3
192.11072	0.4
193.08633	0.8
199.11073	0.5
201.09189	0.5
203.10728	1.9
205.12231	9.7
209.11626	0.5
215.10713	1.5
217.12283	0.8
219.13850	0.9
219.21056	0.6
224.29379	0.3
227.12788	0.5
229.12224	0.8
231.13785	1.6
231.87526	0.4
237.22212	0.5
257.19107	0.7
259.16959	1.2
261.18451	0.6
263.23730	1.2
271.16989	0.7
273.18433	2.1
275.19818	0.5
283.16913	0.5
285.18524	0.9
289.25204	0.5
291.19519	2.2
295.26175	0.8
301.06845	0.8
303.19455	0.9
307.26309	1.0
309.11386	0.4
360.25351	0.5
365.23254	0.7
402.27478	0.6
409.31155	0.8
419.30142	4.5
427.32199	5.3
445.33517	2.1
463.29129	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.7
55.01861	5.1
55.05518	26.8
57.03431	12.1
57.07075	5.3
61.53225	4.4
67.05505	81.7
69.07092	24.3
69.58356	4.1
71.04998	6.0
79.05498	58.8
81.03405	10.2
81.07066	87.0
83.04987	6.8
83.08621	17.6
84.52010	3.6
85.02905	4.7
85.06536	5.4
88.49268	3.9
88.85233	3.7
91.05486	91.4
93.07051	57.3
95.04971	16.2
95.08601	40.4
95.33131	4.0
97.02895	9.2
97.06534	9.1
97.10175	6.3
103.05443	3.7
105.07029	58.1
107.04937	9.3
107.08591	31.0
109.06515	12.9
109.10131	18.2
115.05433	7.5
117.07036	32.1
119.08596	40.7
121.06525	10.6
121.10163	18.0
123.08066	6.9
123.11694	4.5
123.57985	4.1
125.09676	5.1
128.06206	4.5
129.06992	20.7
131.08571	61.1
133.06441	5.6
133.10130	30.0
135.08055	7.8
135.11681	10.1
141.07004	7.5
143.08568	22.1
145.06555	7.4
145.10118	31.9
147.08101	7.1
147.11664	11.9
149.09607	7.0
149.13260	11.2
155.08572	16.2
157.10106	18.6
159.08005	4.4
159.11688	18.6
161.09721	5.4
163.11156	3.8
163.47816	3.3
169.10190	8.4
171.11745	10.6
173.13263	6.5
181.10147	5.8
183.11752	6.3
185.13181	6.5
187.11183	5.4
197.13321	7.1
201.12837	4.8
223.14912	4.2
247.08205	4.2
247.16879	6.5
259.16965	5.2
273.18463	11.1
287.05518	7.1
291.19577	21.8
325.25195	5.9
334.83011	3.7
335.23367	8.0
338.62244	4.3
343.26227	16.7
353.24741	30.0
371.25809	46.2
389.26950	48.4
424.11243	4.3
427.28534	6.6
445.29501	100.0
463.25336	4.2
463.30530	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58579	0.5
55.01827	1.0
55.02938	1.9
55.05456	7.7
57.03406	0.7
65.03930	0.5
67.05448	3.3
67.28114	0.6
68.04958	0.5
69.03394	1.3
69.07009	2.2
70.06593	28.2
70.06942	1.6
70.48144	0.6
71.04985	0.5
71.60103	0.8
72.05601	0.6
72.08157	28.8
74.25565	0.5
75.02556	0.6
79.05497	3.1
79.26541	0.5
80.04974	0.8
81.03400	0.7
81.07063	3.5
83.04942	1.2
83.08638	3.6
87.04359	0.5
91.05472	2.6
93.06979	2.4
94.06564	4.0
95.04932	0.8
95.08528	2.4
97.06577	0.6
97.07662	12.3
97.10166	5.6
105.07000	1.3
106.06478	0.6
107.08614	3.2
109.10071	1.9
112.08721	4.7
114.10291	37.1
117.06968	0.6
118.06487	0.6
119.06012	0.6
119.08521	0.8
120.08102	2.4
121.06483	0.8
121.10059	0.6
122.09648	0.7
123.08000	0.6
123.11608	0.8
125.09638	3.4
131.08487	0.6
132.08127	2.6
133.08817	0.9
133.10019	0.6
134.02591	0.5
134.09648	14.5
135.08017	1.1
135.10358	1.1
136.11215	5.2
137.05901	1.0
138.12746	1.0
139.11000	0.5
145.08853	0.8
146.09654	2.8
147.09236	0.8
147.10435	4.8
148.11205	15.3
149.09584	0.6
149.10701	0.8
151.07472	1.6
158.09596	0.8
159.09090	1.8
160.11230	11.2
161.10699	0.8
161.11937	0.7
162.09091	0.6
162.11542	0.8
162.12746	1.5
170.09578	0.6
171.09134	1.3
171.10397	0.6
172.11119	1.0
173.10646	1.9
173.11960	0.8
174.11304	0.8
174.12787	13.3
175.13469	2.4
176.10593	0.8
176.14317	0.8
177.08961	0.7
184.11160	0.9
186.12747	0.9
188.14340	8.3
189.11182	0.7
189.15155	3.7
190.15907	15.7
191.15427	7.6
199.12291	1.1
202.13411	0.9
213.13768	1.4
214.14449	0.6
215.15434	3.7
232.18039	2.0
241.13345	0.5
270.18457	1.0
288.19540	2.9
290.20975	1.2
297.19595	0.6
300.19431	0.9
301.07086	1.4
306.20544	2.2
313.19217	0.6
314.24713	1.2
318.20605	4.0
324.22964	1.0
325.19107	1.0
332.25964	0.6
339.24200	1.1
342.20813	0.6
342.24365	7.4
356.27063	0.7
360.25317	14.6
366.25345	0.8
367.23587	2.4
377.27951	0.7
384.26422	4.8
385.24838	4.1
401.29575	0.7
401.36261	0.6
402.27515	13.4
419.30176	94.8
420.30496	1.7
445.26099	0.6
463.29172	100.0
464.29453	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19318	2.6
51.54564	3.1
53.03937	5.3
55.01871	7.5
55.05514	33.6
57.03430	8.9
67.05502	52.3
69.00529	3.3
69.03429	11.0
69.07069	42.9
71.04968	3.1
71.60539	4.0
79.05496	34.4
81.03411	13.5
81.07057	48.1
83.04953	6.3
83.08625	15.3
85.02896	4.5
85.06558	3.6
91.05489	25.9
93.07049	37.3
95.04967	11.9
95.08612	27.0
97.02889	13.5
97.06507	9.4
97.10152	20.0
98.98464	28.1
103.79138	3.5
105.07039	22.5
107.04971	11.0
107.08592	26.6
109.06561	5.0
109.10176	18.0
114.42093	3.0
117.07024	8.8
119.08535	16.5
121.06508	7.6
121.10136	13.5
123.08051	7.2
125.09621	11.7
129.07013	6.5
131.08566	14.5
133.10098	14.9
135.08073	4.4
135.11638	7.6
137.05991	6.8
143.08542	6.5
145.10173	8.5
147.08035	7.2
147.11674	4.3
149.13301	7.0
151.07516	4.2
151.11134	3.5
153.09094	4.1
157.10132	4.7
159.11621	3.3
159.41068	4.5
161.06007	4.1
161.09587	6.1
163.11176	6.1
165.09155	9.1
173.02118	4.1
177.12752	4.6
185.13213	3.2
189.11238	8.0
193.12259	4.0
195.13853	4.4
223.13203	21.3
227.12762	13.6
229.14342	3.6
249.14897	3.5
273.18503	14.8
287.05591	4.3
291.19534	100.0
292.12497	5.8
319.22861	3.1
322.56982	3.0
347.22153	12.9
348.67065	2.9
365.23254	91.0
365.61316	3.5
427.18707	10.9
445.20099	8.0
445.29190	3.7
463.26337	6.6
463.31143	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.0
56.96573	1.4
57.03474	1.0
67.05519	1.4
69.03427	2.2
70.06591	5.0
72.66582	0.9
81.03425	1.7
81.74185	0.8
84.04490	1.6
84.08147	2.1
85.02910	4.1
85.04916	1.0
91.05482	2.9
92.05852	1.2
93.07081	1.6
94.06580	2.8
95.05009	1.1
95.08562	0.9
95.59924	0.9
97.02885	2.4
98.20684	2.0
98.97575	1.0
101.98592	0.9
107.08596	1.0
109.02875	1.3
112.08720	1.0
116.98597	0.9
122.06030	4.6
127.03928	1.8
134.99593	1.0
137.06036	1.1
139.03949	1.0
140.07080	7.8
142.08669	1.4
144.08110	1.2
146.06009	10.4
147.06772	9.2
148.07581	4.8
158.06000	1.2
158.09708	1.2
160.07584	7.7
161.01248	1.0
167.07082	1.4
168.08054	1.5
172.07584	5.1
174.05510	16.7
175.06349	2.8
176.07053	9.6
183.06744	1.4
184.07602	1.6
186.05504	3.7
186.09158	12.0
188.07039	5.3
196.07588	2.1
197.08304	1.1
198.34233	0.9
200.07089	2.8
202.04985	1.2
202.08669	1.8
204.06580	1.7
205.04762	8.0
212.07082	59.8
213.07776	4.5
214.05043	7.7
214.08655	20.3
216.06589	3.7
218.08199	1.4
224.07153	1.8
225.07935	1.5
228.06610	5.0
229.07274	9.8
229.57616	1.2
230.08133	8.5
232.09700	2.0
237.02928	1.5
238.04964	3.0
241.07349	1.2
242.08150	28.9
243.08806	1.2
244.09726	2.1
256.05975	6.4
258.07602	2.9
259.08313	1.3
260.09201	52.7
262.20444	1.1
266.10828	0.9
268.06079	3.9
278.10251	100.0
279.10745	1.4
286.07190	4.6
288.08606	1.3
301.12485	2.0
304.08157	10.9
307.28918	1.0
322.09204	11.7
343.10645	2.2
353.14886	6.2
355.12955	1.8
371.16122	2.5
383.16302	1.5
397.13904	3.0
409.13916	1.1
419.17960	2.0
427.15164	2.4
445.15909	4.1
463.15759	20.6
488.46606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
53.03941	0.7
55.01864	0.6
55.02990	0.4
55.05494	1.2
56.96531	0.3
57.03439	0.8
61.02929	1.6
65.03929	0.4
67.05500	1.9
69.03425	3.3
69.07051	1.1
70.06597	2.6
70.89532	0.7
70.89909	0.7
71.04985	1.0
72.08166	2.0
73.02911	0.5
73.07044	0.3
73.36315	0.3
78.53427	0.3
79.05492	1.2
81.03405	2.1
81.07053	2.4
83.08600	0.7
85.02424	0.5
85.02910	8.4
85.97387	0.3
91.03956	0.7
91.05476	1.3
93.07074	1.6
95.04939	0.6
95.08622	2.4
97.02890	3.9
97.06564	0.6
97.07628	1.2
97.10178	0.4
99.04449	0.7
105.07027	0.9
107.04933	1.6
107.08578	0.9
109.02885	1.3
109.10178	2.5
111.04440	0.3
112.08749	0.4
112.91627	0.3
114.10277	2.9
119.08576	1.0
121.02863	2.6
121.06498	0.6
121.10130	1.0
123.07973	0.5
123.11665	0.9
124.01550	0.5
127.03906	2.0
131.08539	0.5
133.10155	0.5
134.09717	0.4
135.11705	0.8
137.06006	1.8
137.13252	0.4
145.04927	1.0
145.10130	0.7
147.04399	0.6
147.11681	0.7
148.11130	0.7
149.02344	0.7
149.09621	0.4
151.03896	0.8
151.07544	1.0
159.08075	0.4
163.11128	0.3
167.03363	2.4
174.12769	0.4
179.03432	0.9
181.04921	0.5
188.14330	0.6
191.10669	0.5
197.04420	0.5
199.07661	0.5
215.06456	0.3
227.07069	1.1
245.07951	0.4
255.06519	0.6
257.04507	0.5
258.05237	6.1
272.06784	1.0
279.64957	0.3
286.04745	5.1
287.05298	0.5
288.19687	0.8
301.07065	100.0
302.07428	2.7
360.25372	1.4
402.27261	0.4
419.30267	4.4
427.28336	0.4
445.29776	0.5
463.18491	0.5
463.29221	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	463.1237
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
51.05321	0.3
51.60553	0.3
55.39581	0.3
62.01556	0.3
70.05064	0.6
70.05487	1.2
113.39935	0.3
118.19679	0.3
121.02867	1.6
137.02376	0.3
184.05153	0.4
188.04633	0.5
212.04697	0.5
213.05524	0.7
229.04951	1.0
257.04437	0.6
258.05237	5.1
259.05576	0.3
285.03946	12.0
286.04721	49.8
287.05173	2.1
291.41998	0.3
301.07074	100.0
302.07333	3.2
318.90320	0.3
463.12335	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	463.0874
Annotation	SCHEMBL1536036
Peak:m/z	Relative Intensity
50.74750	0.5
57.03426	1.3
61.02915	1.0
65.63367	0.5
67.05499	1.0
68.99784	0.9
69.03413	1.8
69.07070	0.7
70.06584	2.3
70.86544	0.6
70.86880	1.3
71.01376	1.0
71.04992	3.0
73.02917	3.2
73.48317	0.5
74.99835	0.5
79.05500	0.8
81.03412	1.3
83.08629	0.9
85.02420	0.9
85.02906	13.3
86.09693	0.7
91.05495	1.0
93.07056	0.8
95.01321	1.3
95.08589	0.7
97.02878	2.5
97.06544	0.7
99.00804	0.6
99.04424	0.7
103.03912	0.7
104.77317	0.5
107.04970	1.1
109.02876	0.9
109.10152	0.7
111.00780	1.1
113.02361	3.1
114.10276	0.8
121.02858	3.3
125.09594	0.6
127.03918	0.9
129.05508	0.6
129.55219	0.5
131.03442	2.5
137.02328	1.6
137.05888	0.7
139.03990	0.9
141.01828	1.5
145.04919	0.8
147.04378	1.3
153.01840	4.9
157.06512	0.6
159.02879	1.5
163.03893	0.8
165.01845	1.8
167.06956	1.1
183.02942	1.2
185.05893	0.7
212.04663	0.5
213.05463	2.0
229.05017	1.4
231.06522	1.0
241.04985	1.6
258.05228	4.4
259.05887	0.7
285.03946	9.2
286.01440	1.0
286.04730	35.6
287.05508	100.0
288.05911	1.6
301.07074	76.9
302.04248	0.9
302.07379	1.3
317.06577	10.6
331.08112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58502	0.4
55.59678	0.3
56.05039	0.4
69.03435	1.5
70.06602	2.0
72.08154	0.6
74.06086	0.5
81.03410	0.4
82.99859	0.4
84.04500	0.5
84.08159	0.6
85.02916	1.4
95.04936	0.4
97.02911	1.1
101.00881	0.6
105.59026	0.3
108.04385	0.3
109.02888	0.5
116.07111	0.5
119.01935	2.2
120.06590	0.8
120.95412	0.9
122.06019	0.6
127.03918	1.1
131.01913	0.6
132.04433	0.9
133.13757	0.4
138.96428	0.6
139.03958	0.6
143.01924	1.3
145.03461	1.0
145.04916	0.4
155.01904	1.3
156.97491	5.2
157.03513	0.7
160.07675	0.5
161.02957	3.2
167.01915	0.4
172.95273	0.5
173.02957	2.5
174.05565	1.0
174.98553	10.9
175.11922	1.0
176.07141	0.6
180.97424	7.3
180.98874	0.5
185.02931	4.3
187.04503	0.7
194.99077	0.5
196.04562	0.4
197.02953	1.7
198.00095	0.5
198.98544	100.0
199.98740	1.9
201.00180	0.9
203.04051	1.5
210.98586	2.8
212.07135	2.0
213.00165	1.9
214.08643	0.9
215.04044	1.2
216.99597	51.2
217.12979	0.5
217.99759	0.8
221.04854	0.4
222.00148	5.8
222.98535	2.3
223.00397	0.4
225.00125	1.1
227.04028	0.9
228.99611	9.1
229.41275	0.5
234.98561	4.5
240.01158	2.8
240.99602	15.5
241.99802	0.6
242.08080	1.3
243.01053	0.9
243.10960	0.6
245.05051	7.9
247.00697	2.0
252.01260	1.0
252.99609	3.6
259.00665	15.9
260.09195	1.4
263.06116	1.5
264.99695	0.7
271.00662	1.5
275.05920	0.8
277.01706	4.3
278.10223	3.7
281.07065	0.5
282.02213	2.6
283.00610	11.1
293.07333	0.5
300.03180	0.5
301.01706	35.7
302.01843	1.0
305.07294	0.6
319.02737	11.5
320.02802	0.6
322.09021	0.7
324.03210	1.2
342.04263	2.7
343.02765	1.3
365.10034	0.7
373.03741	1.2
463.06934	11.4
463.12766	0.6
463.24344	0.8
464.07343	0.8
481.08005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37373	1.3
51.80655	1.3
53.03922	1.5
55.01874	1.6
56.96576	1.7
67.05502	2.2
69.03423	5.7
70.06581	4.3
71.60375	2.4
77.81081	1.4
81.03417	3.0
83.57246	1.5
85.02901	12.7
87.04461	2.2
89.05479	3.4
89.06035	70.3
93.07070	2.1
95.04982	3.2
97.02873	6.1
98.97578	1.5
102.52607	1.4
105.07030	2.5
107.07050	2.6
109.02879	4.0
111.04444	1.6
114.05487	1.5
118.62902	1.5
119.08584	3.1
121.10178	1.5
123.04494	1.8
127.03928	2.6
132.04474	2.5
133.08617	29.3
134.99634	1.5
135.08020	3.5
137.05989	3.1
143.08453	1.6
145.04970	2.2
153.99098	1.9
159.08058	1.9
159.11745	1.9
161.05954	1.7
167.07066	3.7
175.07568	2.1
177.11232	14.2
188.07117	1.6
195.12358	2.8
199.11369	1.6
209.91980	1.5
212.07086	6.8
214.08640	2.6
219.01888	2.2
224.91286	1.4
239.14873	2.3
242.08266	3.3
247.13341	3.8
256.06094	2.3
260.09207	6.1
265.14371	22.1
278.10309	9.2
283.17538	100.0
310.38370	1.5
322.09335	2.0
462.15100	3.2
463.17941	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	462.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96811	1.4
53.03942	2.5
55.01851	2.1
55.05508	4.2
57.03432	3.9
60.04522	2.9
61.02928	2.9
62.39297	1.4
65.03926	1.5
67.05526	1.6
69.03431	89.4
69.07063	2.8
69.65935	11.1
70.06596	5.1
71.01355	1.7
71.04978	3.9
72.04521	1.6
73.02929	2.6
74.06082	4.0
81.03429	9.2
81.07044	1.7
83.04977	4.1
84.08146	2.9
85.02905	30.2
85.03372	2.9
86.09713	5.3
87.04511	1.5
90.05544	2.4
91.03969	1.6
91.05493	1.9
93.07076	2.3
94.84708	1.4
95.04967	2.3
95.08594	3.6
97.02888	11.8
97.06511	2.5
98.20742	2.5
99.04465	6.7
101.06033	5.3
105.07098	2.1
105.14154	1.4
107.08610	3.0
109.02878	5.7
109.10167	2.6
115.05424	1.8
115.71159	1.5
116.07033	1.4
119.08591	3.3
121.02869	65.6
124.08395	2.0
125.05983	11.8
127.03917	100.0
128.04283	1.7
131.08560	3.6
135.11734	1.8
136.07643	2.5
137.06013	2.1
137.09560	3.6
139.03903	80.9
143.07062	3.7
145.04951	6.9
146.05997	3.3
159.08043	3.5
161.06049	2.1
164.07100	2.1
165.09160	2.4
166.09492	1.8
167.07060	3.5
168.06612	1.5
178.04956	7.7
182.08243	3.3
187.07562	5.5
208.13489	2.0
219.10201	3.3
233.08128	1.8
240.16289	1.5
242.08092	2.0
247.09718	2.0
252.09428	1.7
265.10736	19.5
282.16956	3.3
283.08151	52.0
283.11646	5.2
304.08185	2.0
353.02701	1.6
462.13455	2.8
462.26520	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.29
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
51.75591	2.8
53.03953	3.4
55.01868	5.5
55.05513	30.1
57.03442	6.7
61.02894	2.6
61.98096	2.9
65.03938	4.2
67.05506	63.0
67.05865	3.3
69.03431	3.4
69.07065	25.1
71.04993	6.0
71.25034	6.9
72.00728	2.7
79.05497	55.2
81.03422	19.5
81.07065	57.1
83.05027	7.1
83.08625	24.6
85.06580	3.4
91.05486	65.7
93.07041	51.3
95.04967	18.3
95.08609	33.4
97.06557	9.3
97.10187	11.0
105.07037	45.3
107.04986	10.0
107.08591	28.8
109.06566	7.5
109.10163	14.0
111.08115	5.6
115.05429	4.6
117.07015	33.7
119.04962	3.5
119.08581	28.3
121.06528	11.9
121.10170	13.3
122.83131	2.8
123.04464	3.0
123.08125	4.3
125.09667	6.0
128.06224	6.2
129.07011	35.8
131.04889	2.9
131.08563	37.4
133.06535	7.6
133.10138	20.3
135.08092	7.7
135.11719	8.6
137.06078	4.3
137.09698	3.1
141.07034	10.3
142.07803	3.2
143.08548	24.9
145.06526	12.2
145.10132	22.4
147.04323	3.6
147.08047	7.7
147.11729	10.1
148.13571	3.8
149.09642	9.6
149.13335	3.6
155.08531	17.6
157.10107	14.4
159.08038	6.5
159.11740	11.5
161.09639	4.4
161.13260	4.4
163.11188	4.3
165.07048	3.6
166.07999	3.3
167.08615	8.8
169.10179	14.3
171.11739	14.4
173.13281	3.4
177.12779	5.2
179.08640	5.3
181.10153	4.8
183.11752	6.7
185.13306	7.1
187.11159	3.0
189.11150	4.8
193.12381	5.1
195.11748	10.0
197.09514	4.7
197.13278	7.4
203.14320	3.3
207.11714	3.5
209.13315	7.2
211.14986	5.0
213.12773	3.7
215.14455	6.4
217.15848	5.0
221.13281	6.3
223.14804	5.7
225.12860	4.8
227.12718	3.9
239.14366	5.1
241.16002	3.9
253.16025	3.9
257.15445	4.1
271.16843	6.2
273.26398	3.0
285.18668	4.9
323.23810	5.3
333.22223	12.6
341.24857	10.0
351.23138	29.9
369.24332	35.3
387.25299	21.4
425.26837	6.5
443.28012	69.4
461.29132	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88270	1.0
53.03942	2.1
55.01864	2.9
55.05504	1.2
57.03434	6.0
57.07076	13.5
61.02921	8.0
63.04492	13.5
65.28494	0.9
67.05492	1.1
69.03078	1.2
69.03430	17.6
69.66091	0.9
70.06595	2.7
71.04988	2.8
71.59286	0.9
71.59673	1.6
73.02908	2.7
78.18771	0.9
81.03420	7.8
81.07069	1.1
83.04964	0.8
84.04478	1.2
85.02905	100.0
86.09691	3.6
86.51566	0.9
87.04464	2.9
91.03967	5.6
91.33512	1.0
95.06078	0.9
95.87723	1.0
97.02895	26.6
98.97544	1.1
99.04453	4.8
101.09679	1.2
103.03929	1.7
105.07087	1.4
107.04969	1.0
109.02869	8.5
110.07133	1.0
116.07084	1.4
117.05524	1.3
119.10695	90.5
127.02964	1.3
127.03918	26.2
134.04578	1.4
145.04968	45.4
153.05455	1.1
163.06020	19.2
165.02275	1.5
167.07005	1.0
175.12016	1.1
177.05461	1.1
182.04971	8.9
183.05232	4.9
184.04555	1.8
208.02910	7.7
209.03197	7.9
281.15829	2.8
289.09256	1.4
291.68839	0.9
300.17697	0.9
325.11285	2.5
327.08575	3.0
328.08966	6.5
329.08200	1.3
442.19366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.6
53.90036	4.5
55.05516	23.4
56.96564	6.3
57.03442	7.4
61.02925	8.4
61.46893	4.9
67.05508	32.1
69.03418	7.9
69.07070	17.8
69.27808	36.4
69.28230	17.4
70.06598	6.2
70.15300	4.4
71.04979	6.7
75.03424	4.4
79.05497	40.1
81.03430	15.3
81.07066	39.8
83.04975	10.2
83.08599	8.4
85.02919	6.7
88.02221	16.8
91.05475	26.3
93.07050	46.3
95.04963	16.5
95.08612	23.0
97.02872	9.2
97.06557	5.5
97.10177	6.1
103.05451	5.0
105.07028	22.5
106.80054	4.3
107.04957	5.9
107.08591	14.4
109.02837	4.7
109.06530	12.2
109.10153	12.5
117.07031	14.7
119.08581	20.7
121.10134	5.3
123.08089	8.0
129.07016	9.1
131.05029	4.7
133.10117	6.9
134.02713	12.7
135.11671	8.1
136.04385	5.5
137.05980	10.7
143.08632	5.8
145.06448	5.2
145.10152	10.3
147.11678	13.8
149.09610	6.8
151.03828	5.0
151.07520	11.4
158.28542	4.6
161.06017	7.0
161.13210	5.9
163.07574	8.6
165.09135	14.1
167.07063	7.6
171.11699	11.2
175.11131	8.0
181.04962	4.9
191.10641	7.0
191.14351	5.3
207.13858	10.6
281.17477	100.0
285.10254	5.1
299.08997	7.8
355.95840	5.2
365.15509	13.7
443.28177	6.5
461.28271	18.3
467.63998	5.2
485.39182	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	459.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01867	0.7
57.03434	0.8
59.06108	0.4
61.02923	1.1
61.38830	0.4
67.05498	0.5
69.03432	4.5
69.56851	3.2
70.06579	1.1
71.05003	1.9
73.02908	0.9
81.02982	0.6
81.03421	10.4
81.46506	0.3
81.53831	0.3
85.02907	4.8
86.09751	0.6
91.03963	0.6
91.76617	0.4
97.02894	1.6
98.20756	0.8
98.97546	0.4
99.04442	3.1
101.07142	0.7
109.02867	1.0
109.07401	0.4
115.37486	0.4
117.05498	0.7
120.08081	1.2
123.97639	0.5
127.03902	0.9
133.28180	0.4
135.09167	0.5
147.09171	23.2
148.06287	0.7
148.09520	0.7
161.07156	0.6
162.07892	2.1
163.08670	29.5
175.08673	69.6
176.09004	0.7
185.07129	0.5
186.07779	0.5
189.10260	1.4
199.08694	0.5
200.09438	0.6
201.10187	0.4
203.11804	1.4
205.09711	7.2
215.11803	4.6
217.09753	0.5
219.11322	1.0
231.11285	0.4
243.11296	5.0
261.12347	4.0
279.08765	0.6
279.13416	14.9
280.13632	0.5
297.14453	100.0
298.14752	1.5
331.49634	0.4
379.13885	0.8
459.19003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2743
Annotation	Caledonic acid
Peak:m/z	Relative Intensity
50.26671	1.5
52.98495	1.6
53.03939	3.4
55.01878	7.9
55.05513	49.7
55.25226	1.3
57.03429	4.9
57.07072	1.8
57.07356	1.5
58.61004	1.4
59.04995	1.6
62.46995	1.6
65.03945	2.2
65.39110	1.5
67.05170	2.5
67.05505	46.8
67.05873	2.6
69.03416	4.3
69.07070	14.1
70.54857	3.4
70.55227	3.0
79.05498	41.1
81.03389	1.6
81.07060	30.7
82.02219	1.4
83.04984	4.3
83.08619	22.3
85.06565	2.5
91.05484	34.9
93.03410	1.7
93.07048	19.7
95.04955	6.6
95.08611	12.3
97.02906	1.8
97.06541	3.0
97.10172	41.8
98.20850	1.8
99.08147	2.0
103.05471	20.2
105.03381	3.2
105.07037	25.5
107.04950	8.2
107.08588	22.3
109.06535	4.3
109.10156	12.1
111.08067	3.2
115.05431	9.0
116.06248	1.7
117.07025	47.5
119.04961	1.5
119.08576	15.4
121.06519	4.2
121.10164	3.7
122.61610	1.6
123.04434	8.0
123.08082	2.2
125.09634	37.6
128.06242	8.1
129.07011	23.5
131.04918	4.1
131.08580	31.9
133.06516	9.1
133.10124	4.4
135.08073	7.4
137.05975	16.6
137.09671	1.8
141.07007	11.4
142.07779	2.8
143.08574	12.1
143.10612	1.9
145.06514	13.0
145.10126	12.4
147.08067	5.6
147.11650	1.6
149.05951	2.3
149.09650	4.4
153.06982	3.5
153.09090	2.6
154.07678	1.8
155.08542	14.9
157.06514	4.5
157.10158	6.7
159.08078	4.6
159.11717	5.1
161.06018	3.9
161.09575	2.2
163.07576	2.1
165.07050	2.0
165.09047	2.6
167.08585	5.7
168.09293	1.7
169.10126	8.6
171.08090	4.3
171.10298	1.8
171.11702	5.9
173.09615	2.2
173.13269	2.8
177.09154	2.4
181.10158	4.3
182.10901	2.3
183.11707	3.0
185.13237	3.9
187.11295	2.0
187.14793	11.9
189.09473	2.7
189.11209	21.0
189.12730	2.5
195.11681	5.5
197.13269	13.9
209.13269	3.9
213.12755	6.7
215.14323	81.8
217.12289	1.7
219.11739	2.4
221.13281	3.5
225.12874	1.7
227.12767	24.5
227.14514	1.5
231.13806	2.5
233.15366	2.2
241.12299	2.4
253.15833	1.6
257.15305	1.6
269.15411	2.1
271.16965	5.5
273.14972	1.8
321.22025	2.5
331.20493	2.2
339.23318	7.0
349.21539	12.5
367.18338	1.3
367.22647	35.0
385.23743	22.2
403.24774	5.5
423.25299	5.3
441.26395	66.9
459.27441	100.0
460.28021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
57.03431	2.0
61.02923	1.9
65.03936	1.8
66.38385	0.7
67.05482	1.4
68.99786	1.8
69.03429	2.0
70.06607	4.0
70.54386	0.7
71.04984	1.0
71.59772	1.5
72.08154	1.8
73.02888	1.2
79.05489	2.8
81.03436	4.8
81.07059	1.9
83.01358	1.8
83.04961	1.5
85.02909	14.3
86.06061	1.2
86.09715	2.3
91.05476	4.2
93.03416	8.2
93.07020	0.9
95.01325	1.0
95.04958	2.6
95.73799	1.0
97.02898	4.1
98.97578	1.1
103.03948	3.3
103.05455	2.0
105.03377	1.7
105.07018	2.3
107.01328	1.2
107.04953	5.2
109.02877	8.3
109.06519	3.0
111.04435	4.5
115.05440	1.0
116.07092	0.9
117.03346	0.8
117.06974	1.0
119.04957	6.1
121.02888	8.4
121.06496	2.6
122.73867	0.8
123.04410	3.6
125.02400	1.1
127.03919	2.9
131.04936	3.3
133.06488	2.7
134.04604	0.8
134.99707	1.0
135.00771	1.1
135.04414	3.1
137.02361	1.6
137.06003	4.5
139.03908	5.0
143.04897	1.1
145.02837	1.3
145.06464	1.8
146.99573	0.9
147.04399	9.1
149.02336	3.7
149.05978	2.0
151.03888	3.3
153.01839	3.5
157.06531	0.8
159.04454	4.4
161.02353	1.5
161.05975	4.5
162.99191	0.9
163.03918	5.0
163.07472	0.9
165.01855	2.0
165.05441	1.7
167.03410	0.9
171.04477	1.6
173.02370	3.2
173.06021	1.2
175.00249	2.6
175.03917	2.4
175.11926	1.0
177.01868	5.3
177.05458	5.8
179.03462	1.7
181.04901	1.2
182.04948	2.6
184.07536	1.0
187.03949	5.9
189.01837	6.5
189.05420	2.5
191.03439	6.6
193.01332	2.2
195.02913	13.6
199.03845	0.9
201.01817	1.6
201.05490	2.6
203.03421	2.4
205.01350	3.8
205.04932	4.7
207.01122	1.4
207.02902	16.1
208.02913	3.7
209.04445	2.2
215.03407	3.4
217.01277	1.1
217.04897	1.9
219.02901	67.6
221.04478	2.3
223.02393	10.3
225.03947	25.2
229.04982	3.2
231.02989	2.1
233.04459	22.8
235.02431	1.4
237.03906	2.4
239.03409	1.0
243.02847	1.8
245.04457	4.1
247.06102	3.1
249.03862	4.2
251.05565	3.8
255.02596	1.2
257.04593	4.1
259.02417	2.3
261.03958	100.0
262.04294	1.5
273.03967	15.6
275.05533	3.1
279.08929	1.1
285.03986	11.2
291.04938	11.6
297.07831	2.1
303.05014	31.0
309.07831	3.9
321.06039	19.3
325.07126	3.6
327.04993	1.5
327.08655	22.8
339.07910	30.3
363.08203	1.3
381.09720	20.0
393.09726	18.0
405.09720	5.4
411.10889	1.2
423.10782	7.5
429.04828	0.9
441.11868	8.7
459.12292	6.6
459.18060	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77156	0.5
53.61736	0.5
57.03431	1.2
59.04980	0.9
61.02939	1.1
67.05495	1.3
69.03430	6.6
70.06575	0.9
71.04992	1.7
71.59996	0.7
71.99953	0.5
74.32354	0.5
79.05496	1.0
81.03416	1.9
83.04984	1.2
85.02428	0.8
85.02912	12.2
86.09713	0.9
87.04454	1.1
91.05495	1.5
93.07049	0.7
97.02892	3.4
99.04482	0.8
105.07018	1.6
106.60817	0.5
107.08576	0.7
109.02872	1.5
109.10152	0.7
111.04440	0.9
119.08565	0.9
120.08172	0.6
121.06526	2.3
122.07315	0.8
123.08137	0.8
124.07564	0.9
127.03933	3.2
129.05463	0.7
130.08649	0.8
131.08575	1.5
132.04465	0.6
132.08081	2.8
133.08728	0.6
134.09668	0.7
135.08029	1.3
137.05908	0.6
137.08357	1.9
143.07277	0.5
145.04953	1.3
146.06032	1.2
147.06720	2.6
148.07599	3.9
148.11247	3.9
149.08397	5.1
150.09146	1.0
160.07585	0.6
161.08372	7.5
162.06834	0.8
162.09131	10.2
164.09286	1.3
164.10721	47.4
176.10715	100.0
177.11064	1.5
178.12267	7.5
188.10747	1.3
204.10138	2.7
206.11700	0.8
206.82135	0.6
208.13336	66.7
209.13631	1.3
230.11879	0.7
236.12828	43.2
264.12314	16.6
268.15402	1.6
278.13898	0.6
287.17581	0.7
296.14938	27.7
296.18326	1.3
326.15921	1.9
338.15833	1.1
370.18600	7.8
398.18127	39.4
399.18430	0.7
426.12131	1.2
426.17587	17.2
458.20178	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	458.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	6.7
70.06585	3.9
71.14900	7.5
79.05493	4.3
81.03421	5.9
81.07045	4.0
83.05003	3.8
85.02888	16.4
86.09707	7.1
91.05462	5.0
93.52925	2.6
97.02902	5.8
97.06525	9.4
103.05514	3.2
105.07034	22.5
107.04954	5.1
107.08638	4.2
119.04951	2.5
127.03880	5.9
130.08635	3.2
131.07306	14.3
132.08109	17.5
139.03957	2.7
145.04950	5.6
145.08841	5.2
146.09659	100.0
146.92360	2.6
158.09648	11.7
160.07542	5.3
160.11221	39.5
161.08369	3.3
163.03928	2.9
167.07036	3.5
188.10701	5.2
190.12277	6.7
192.10162	19.4
192.13797	3.1
218.11766	9.7
234.83447	2.7
246.11211	3.4
250.14450	15.7
264.12228	17.8
278.13882	97.2
295.06012	19.8
296.14859	20.7
312.08710	7.3
326.13513	2.8
333.57846	3.0
384.32037	3.2
387.05652	4.1
458.18967	5.1
458.24774	12.5
458.47427	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	458.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17799	1.5
52.85160	1.5
55.05496	1.5
56.96582	1.8
57.03434	1.6
61.02947	1.7
63.24941	1.5
69.03442	3.1
69.07053	1.9
69.43002	3.4
69.43413	12.6
70.06587	3.9
73.02915	3.9
75.04489	2.7
78.90662	1.5
79.05489	3.0
81.03398	2.1
83.51093	1.6
85.02906	6.0
86.42024	1.6
87.04457	1.7
91.05466	1.7
95.04960	1.9
95.37310	1.7
97.02871	4.4
97.06546	4.2
98.06076	2.3
98.97575	2.9
103.05447	1.9
105.07038	18.0
107.08582	2.7
109.02859	2.0
116.98656	3.6
119.08611	2.1
121.10108	1.9
123.08088	5.1
128.98581	1.6
130.08664	3.9
131.07304	14.5
132.08112	10.0
133.10132	5.0
134.99637	2.4
135.08083	3.3
137.09624	3.4
144.08104	2.0
145.08911	4.4
146.09657	95.5
158.09662	9.2
159.10455	2.3
160.07552	3.2
160.11227	33.5
161.20523	1.6
176.07034	2.1
177.07111	1.6
188.10696	3.7
190.12297	3.4
191.14388	3.5
192.10173	7.4
192.13913	3.1
206.12068	1.6
218.11790	6.6
220.13298	1.9
236.13016	1.8
246.11157	3.1
250.14293	12.8
252.59268	1.5
253.23407	1.5
264.12384	6.3
278.13898	100.0
296.14981	9.0
345.22903	2.2
347.07681	5.1
378.11246	2.2
405.01080	1.9
409.15137	2.9
410.15860	1.7
421.04391	3.5
427.83408	1.5
439.05420	3.6
458.19077	3.8
458.25150	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32702	1.5
55.05499	2.8
57.03434	1.4
57.07064	2.9
59.05005	1.5
60.05642	4.4
67.05493	4.4
69.07059	3.6
69.55916	3.0
69.56332	8.1
70.04081	100.0
70.06597	13.5
72.08145	2.2
79.05487	2.2
81.03413	3.8
81.07033	6.7
83.04952	2.9
83.08617	2.3
85.02905	6.1
86.09730	1.3
91.03967	1.9
91.05474	2.9
93.07042	3.0
97.02886	3.3
99.04433	1.9
99.08076	9.5
105.07027	2.7
107.08569	2.9
109.02864	2.5
110.07137	2.0
113.41653	1.3
115.03970	1.3
116.07119	2.6
119.08523	1.7
121.10143	1.6
122.10532	1.4
127.03915	4.0
130.09697	1.7
131.08572	1.5
133.10161	1.7
145.04967	1.9
147.04420	1.5
149.02359	12.2
149.09753	1.3
150.02704	5.4
158.09268	1.5
165.09122	2.0
175.11929	14.5
176.12250	1.7
193.04991	1.5
221.64137	2.2
227.08354	4.3
237.07623	2.4
296.14590	1.5
458.25552	4.1
459.27505	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
56.05033	0.4
57.03426	0.3
61.02939	0.4
67.05505	0.5
69.03439	2.0
70.06596	57.7
71.58496	0.5
75.23727	0.3
81.03432	0.5
84.04508	0.8
84.07688	0.5
84.08156	5.7
85.02921	1.9
85.06531	0.5
85.23101	0.3
95.04979	0.4
97.02911	0.6
99.04494	0.4
107.05013	0.4
112.07587	0.3
116.07098	100.0
117.07436	1.1
122.06035	1.2
123.04455	2.4
130.08635	1.8
134.06136	0.3
148.06335	0.4
149.07108	2.2
157.09721	1.1
163.04214	0.5
175.11964	0.5
181.05338	1.9
181.36398	0.3
215.08109	0.4
215.11763	0.6
217.13435	0.3
233.12849	3.3
251.13918	1.1
261.08649	0.5
278.00464	0.4
278.14844	0.5
281.07007	0.4
296.12753	0.4
296.16071	3.0
373.51312	0.3
379.69061	0.4
458.12350	2.1
458.21735	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	457.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71779	1.4
52.61210	1.2
55.05505	3.7
58.65612	1.5
67.01849	2.6
67.05504	9.5
68.99790	4.4
69.03423	1.6
69.07061	6.3
69.39925	11.5
69.91009	1.5
70.06575	2.1
73.45465	1.3
79.05490	5.7
81.03428	1.9
81.07040	8.8
83.08620	4.1
91.05479	2.5
93.07053	6.8
95.04945	4.5
95.08610	5.8
97.02891	1.6
97.06527	3.1
107.04934	2.2
107.08613	3.1
109.10169	2.7
113.05979	1.5
119.08613	1.4
121.06501	3.1
121.10130	5.7
123.04432	65.6
127.03922	36.2
135.08073	2.5
135.11664	2.3
137.05956	4.7
139.03889	13.9
147.04424	3.2
149.05981	34.4
151.07521	1.8
153.01830	100.0
153.05402	2.1
163.07542	38.9
165.05528	2.1
175.07570	1.7
177.09155	5.6
177.68642	1.5
181.04977	3.3
184.07365	1.4
267.72507	1.4
303.23090	2.2
313.21594	5.5
331.22653	50.7
340.16330	1.4
457.25787	27.0
457.31271	2.5
461.36368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01842	0.2
55.05521	0.4
57.03439	0.3
57.07073	0.8
59.05015	0.2
67.05515	0.4
69.03429	0.3
69.07056	0.3
70.04080	100.0
70.91290	0.4
70.91622	0.2
71.03794	0.3
71.04417	0.6
73.02927	0.2
81.03434	0.7
81.07074	0.3
83.08646	0.3
85.02914	2.0
93.07032	0.2
95.08601	0.2
97.02900	0.8
99.08096	2.6
104.04976	0.2
109.02891	0.3
115.03924	0.2
117.09208	0.2
125.84537	0.2
127.03957	0.5
133.10121	0.2
141.01071	0.2
145.04973	0.5
158.78319	0.2
158.86235	0.2
165.09198	0.5
175.12048	0.5
179.05722	0.2
195.10201	1.8
225.11435	0.4
227.08479	0.6
243.12341	0.3
262.90094	0.2
342.51135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48633	0.7
52.62553	0.6
53.26005	0.7
53.93382	0.8
55.01874	1.0
55.05518	4.1
57.07091	0.9
58.02858	0.7
67.05506	8.3
68.99791	4.9
69.07088	3.6
69.78564	1.6
69.78960	4.3
79.05500	3.0
81.03408	0.9
81.07061	9.7
83.08614	1.4
91.05473	2.1
93.07050	3.2
95.04976	3.1
95.08614	5.3
97.10190	1.3
99.59762	0.7
103.05486	1.1
105.07060	1.2
107.04945	2.6
107.08641	1.1
109.02864	1.6
109.06519	0.9
109.10169	3.3
111.04446	2.3
119.04974	1.1
121.06505	5.3
121.10157	1.2
123.04432	59.6
127.02968	1.9
127.03919	40.2
131.08481	1.0
133.06564	0.8
133.10115	0.8
135.08054	2.4
135.11707	1.1
137.02359	3.2
137.05998	6.2
139.03908	11.3
147.04401	1.9
147.08072	1.1
149.05991	65.6
153.01837	13.0
155.03438	2.7
161.06020	2.3
163.07549	26.6
165.05507	2.5
173.06024	3.2
175.07553	1.7
177.09134	2.9
189.09248	0.8
191.10704	1.2
203.15707	0.8
303.23199	4.2
313.21609	7.9
331.22687	100.0
332.23145	2.3
379.41632	0.8
457.25482	3.3
457.31308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2381
Annotation	Mycotrienol I
Peak:m/z	Relative Intensity
53.03938	2.5
55.01873	4.0
55.05508	10.2
63.39556	1.5
65.03953	1.5
67.05508	19.0
68.10193	1.4
69.07066	9.7
71.04999	2.7
76.58396	1.7
79.05495	19.3
81.03384	2.4
81.07058	18.5
83.05008	2.9
83.08637	4.0
91.05486	14.8
93.07052	11.5
95.04980	7.8
95.08597	6.7
95.28912	1.6
96.05746	2.1
97.06441	1.5
103.05447	1.6
105.07030	14.3
107.04913	3.8
107.08598	9.3
109.02845	1.5
109.06516	5.6
109.10168	11.9
111.04406	3.0
115.05447	2.1
117.07021	8.0
119.08585	8.2
121.02847	1.8
121.06490	4.1
121.10160	4.8
129.07005	3.7
131.08597	8.9
132.04440	6.0
133.06531	3.6
133.10117	8.5
135.08052	2.6
135.11671	2.5
137.09634	2.1
139.03932	2.9
143.08568	2.5
145.06493	3.6
145.10139	6.3
146.05988	2.2
146.10886	1.9
147.08119	3.9
148.03922	1.6
149.02342	3.4
149.09613	2.9
151.11183	3.1
151.56995	1.7
157.10184	2.6
158.06012	2.6
159.08121	1.6
159.11697	3.3
160.04010	2.7
161.09621	4.3
169.10048	2.7
170.06042	7.0
171.11708	2.9
172.07478	2.1
184.07530	2.6
185.13153	2.1
190.63873	1.7
198.09111	1.5
229.62970	2.1
273.18427	5.0
274.19135	2.8
282.14941	2.5
284.24084	1.6
291.19534	3.9
370.16367	1.8
393.20575	4.8
411.21689	25.6
420.21719	8.7
438.22772	100.0
439.23062	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	456.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23606	2.0
53.03947	1.9
55.01864	4.8
55.05510	18.4
56.05032	5.9
57.03437	3.4
61.02924	3.1
62.74049	1.7
67.05518	16.5
67.36128	1.7
69.03424	5.6
69.07053	9.6
70.06601	4.1
71.05010	2.6
79.05497	19.5
81.03414	8.6
81.07059	43.3
83.04977	7.9
83.08617	12.4
84.04507	100.0
85.02920	7.1
85.06528	2.2
86.10405	1.9
91.05502	11.5
91.33528	1.8
93.07040	11.6
95.04977	11.5
95.08609	8.4
97.02818	1.8
97.06556	3.2
97.10175	19.1
98.12125	1.7
99.04454	1.8
102.05541	9.5
105.07043	6.5
107.04984	4.4
107.08599	10.8
109.06522	6.8
109.10172	6.2
111.04449	5.7
111.08091	4.1
112.98926	1.6
114.10249	2.6
117.07016	2.2
119.08576	11.1
121.06575	3.8
121.10183	7.7
123.04469	2.2
123.08076	11.6
124.67459	1.8
125.09630	15.5
129.07030	2.9
130.05006	61.2
131.08607	6.3
133.06514	2.8
133.10098	4.9
135.08051	3.3
135.11693	4.8
137.05977	2.2
137.09633	4.3
143.08562	4.6
145.10115	5.8
147.08034	7.3
147.11696	3.6
148.06041	20.4
149.09680	3.5
153.09100	3.8
153.12732	2.8
159.11752	5.2
161.09596	4.9
163.11200	6.1
165.09155	5.3
166.63933	1.9
169.12885	1.8
177.09193	2.1
181.12192	3.7
189.11195	13.3
191.10637	3.1
223.13300	3.3
227.12817	6.6
255.17563	2.0
263.19952	2.7
273.18472	17.5
291.19543	53.3
294.21588	2.1
309.20697	6.3
317.06516	1.9
355.00986	2.7
376.00815	2.4
391.03296	13.1
394.02094	2.8
409.04385	6.5
410.25476	4.4
417.84979	1.8
438.24939	6.2
456.26236	31.5
457.14490	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.01850	4.0
55.05517	3.5
56.96565	1.6
67.01878	1.6
67.05509	21.6
68.99798	11.3
69.03426	4.2
69.07059	4.9
70.06614	1.7
71.04977	2.4
71.59835	2.5
79.05515	8.2
81.03410	2.8
81.07063	19.8
81.50640	1.6
83.04966	1.9
83.08594	2.1
85.02888	2.7
85.06548	1.9
87.04366	1.8
91.05492	9.6
93.07044	12.8
95.04971	6.9
95.08599	15.2
97.02882	3.1
97.06537	3.2
97.10161	1.9
99.04494	2.0
103.05500	2.5
105.07030	5.7
107.04950	5.4
107.08590	7.0
109.10154	7.6
111.04434	4.4
119.08591	4.7
121.06535	9.8
121.10144	5.7
123.04428	50.4
123.05318	2.8
123.08033	1.6
125.05973	1.7
127.03917	42.2
131.08551	3.6
133.10144	3.2
135.08017	3.6
135.11711	3.5
137.05969	6.7
139.03882	16.3
145.10101	3.2
147.04439	3.5
149.05991	83.1
149.09534	2.3
150.06288	2.5
151.07558	2.5
153.01836	100.0
155.03418	1.8
161.05988	11.6
163.03937	3.4
163.07553	58.9
163.11214	1.9
165.05482	2.6
173.05997	5.4
175.07561	7.5
177.09102	9.2
181.04980	2.1
187.14874	4.4
189.09166	10.4
191.10774	2.3
201.09100	2.9
203.10646	9.0
215.10663	6.0
217.12259	5.1
223.13246	1.8
229.12222	4.1
245.15388	7.7
293.20969	2.1
311.20010	4.8
329.21124	37.5
330.21536	2.2
455.24228	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	456.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
53.69696	0.4
55.01876	1.4
55.05519	0.4
56.05032	0.7
57.03435	0.5
61.02924	1.3
68.05025	0.6
69.03419	1.4
69.07066	1.7
70.06597	2.9
71.05022	0.5
71.24110	0.8
72.08151	0.7
74.06084	8.1
75.06411	1.2
79.05501	0.8
81.03417	1.0
81.07049	0.4
83.04961	0.8
84.04523	0.8
84.08135	1.0
85.02912	3.0
86.06065	1.3
86.09711	12.6
91.03963	1.2
91.05466	2.4
93.07035	0.4
94.06557	0.7
95.04977	0.9
95.08577	0.4
96.08105	0.6
97.02899	2.0
97.06502	0.5
98.06042	0.7
102.05550	1.2
104.05003	0.5
105.07051	0.8
106.06555	1.3
107.04961	1.8
109.02893	0.9
116.07109	4.4
116.98645	0.6
117.05708	0.4
117.07448	1.1
118.06542	6.4
119.05020	2.5
119.07329	73.1
120.06567	1.1
120.08181	2.7
121.02877	0.5
121.10074	0.6
122.06015	2.3
123.04414	2.1
124.07597	0.5
127.03893	1.3
130.06546	3.8
131.04955	0.7
131.07312	0.7
132.04456	0.9
132.08170	0.5
134.06021	16.7
135.04449	1.4
135.06812	8.7
136.07611	0.5
139.03905	0.6
144.06552	3.8
144.08055	0.6
145.04944	0.7
145.06866	1.5
146.06049	0.6
146.99614	0.5
147.09175	0.8
148.07542	1.0
150.05530	3.9
153.01781	2.6
157.09903	0.6
162.07664	1.1
167.07065	0.9
172.11151	0.6
176.07085	5.5
177.05522	0.8
179.08594	0.6
189.07138	0.5
191.08600	0.7
197.05916	0.5
207.08081	1.6
209.09731	0.7
210.06769	1.8
211.07527	0.6
211.65286	0.5
217.06570	0.9
219.07957	0.5
223.07585	1.1
224.10645	0.5
225.09149	1.9
234.09045	0.5
235.07555	1.6
237.02908	0.6
237.09122	2.7
239.10669	1.2
240.10246	1.5
241.08595	2.3
251.07248	0.6
252.07771	0.5
252.10181	13.8
253.08473	0.5
253.10806	0.6
254.11772	20.9
256.09763	6.8
265.08698	0.5
269.12860	32.8
270.11139	2.7
271.10065	0.7
277.07007	0.7
280.09723	2.5
281.08130	0.8
281.12729	0.7
286.10751	1.1
289.11249	0.7
295.08145	2.9
298.10724	8.5
315.13394	100.0
316.13791	2.4
322.18054	1.9
334.13498	0.5
337.19086	1.5
338.17514	1.2
339.20938	0.6
369.15265	0.5
376.15210	0.6
382.21262	2.2
383.19672	3.6
393.18134	3.7
410.20743	0.8
411.19156	5.8
413.24164	2.5
421.17581	0.6
428.21817	22.7
439.18689	9.2
456.15314	2.4
456.21243	11.2
456.27945	0.7
457.16623	1.9
466.49850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1528
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
53.03959	0.6
56.05027	0.8
56.96554	0.9
57.03426	1.5
58.73587	0.6
59.30369	0.6
61.02920	0.9
61.22764	0.5
65.03934	0.8
69.03426	1.1
70.06592	3.0
71.59033	0.9
73.02927	1.0
74.06085	5.4
75.88692	0.5
81.03449	1.0
83.04993	0.7
84.04493	1.8
85.02896	2.9
86.09667	0.6
91.03957	0.9
91.05489	3.8
97.02879	2.1
98.06055	1.2
98.97620	0.6
102.05547	1.7
106.11286	0.6
109.02882	2.2
109.06547	0.7
116.07098	7.2
121.06489	0.6
123.04388	1.0
124.07525	0.9
127.03919	2.0
132.04462	2.3
132.27226	0.7
139.03897	2.1
144.06580	1.5
147.04401	1.1
152.42511	0.6
162.07712	0.9
163.03983	0.7
171.06554	0.7
185.02843	0.7
187.08733	0.6
228.08708	0.6
230.34494	0.6
237.02863	0.8
244.02719	0.6
245.05046	0.9
270.09763	0.7
288.10764	2.0
293.09946	0.8
455.15265	100.0
456.15576	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	454.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.9
57.07080	45.7
62.69131	3.3
62.98680	3.1
63.59939	2.8
67.05469	4.3
71.08629	31.2
71.59718	4.0
73.06550	5.0
78.75986	3.1
81.07062	3.2
83.08618	8.2
85.10188	30.3
89.06033	100.0
95.08585	4.7
97.10177	5.5
99.11723	6.9
107.07040	5.2
120.43738	2.7
133.08621	55.4
177.11243	22.7
221.13937	3.0
239.14841	6.8
243.23421	7.7
283.17520	25.4
285.68478	3.1
287.25528	3.2
329.81943	3.3
437.34830	31.5
455.36890	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.7
57.83290	0.5
61.02920	1.8
69.03415	0.6
70.06589	3.0
71.55534	0.8
73.02911	0.6
80.91696	0.5
84.04485	1.1
85.02911	1.7
91.03940	1.5
93.12526	0.5
97.02884	1.4
98.97589	0.8
107.09735	0.5
110.04305	0.5
110.07127	0.5
112.89606	1.4
116.07097	0.9
119.01917	1.1
127.03945	0.9
131.00177	0.5
131.96169	6.1
135.05727	0.5
139.03905	0.8
143.96135	0.9
145.05049	0.7
147.04321	0.6
149.01169	1.2
149.97202	2.5
157.97696	0.9
161.03035	1.2
161.97226	1.7
167.02219	0.7
173.02934	0.8
173.97194	3.5
185.02922	0.7
185.97211	2.1
191.98257	1.1
197.97237	3.3
203.04022	0.9
203.98352	1.0
209.97133	1.4
215.98340	3.0
219.01817	0.8
226.08679	0.7
227.98294	0.7
228.10185	0.7
233.99364	1.9
245.05017	3.1
251.04590	0.7
257.99368	0.6
263.06143	0.9
275.06207	1.3
276.00400	11.0
288.00299	0.8
293.05649	0.5
294.01334	1.0
306.01401	2.3
311.12183	0.5
321.10095	0.7
396.04626	0.7
455.11603	100.0
456.12027	2.1
456.81525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53537	3.8
55.01864	3.8
55.05518	18.9
57.07077	4.1
66.59563	3.4
67.05510	26.2
69.03402	3.6
69.07072	15.6
71.04989	4.4
71.08626	4.3
71.61458	5.6
79.05479	16.0
81.03431	6.9
81.07059	78.4
82.02506	3.3
83.04981	6.2
83.08618	9.3
85.10198	3.9
86.15134	3.6
89.03935	3.3
89.06016	9.4
91.05480	21.8
93.07052	20.4
95.04971	8.7
95.08606	24.4
97.06545	9.2
105.07027	23.5
107.04967	6.3
107.08604	12.6
109.06522	27.9
109.10208	5.9
111.08094	4.8
117.07001	4.8
117.51357	3.8
119.08553	16.3
121.06499	5.4
121.10172	4.9
123.04489	17.4
123.08052	9.4
123.11744	4.8
129.06964	3.5
131.08542	9.4
133.08582	8.4
133.10146	12.5
135.08058	4.4
135.11696	5.0
137.05971	57.1
145.10103	12.3
147.04424	3.8
147.11694	17.1
149.05925	4.3
149.09657	8.7
149.13261	6.1
151.11214	4.7
157.10130	7.0
158.60713	3.3
159.11705	8.1
163.03909	6.3
163.07599	3.9
163.11154	6.9
173.13342	4.3
175.11188	4.2
193.12425	5.0
237.04446	3.4
247.20711	4.6
257.18967	13.4
275.20084	100.0
275.24652	4.2
283.17776	5.4
293.21072	51.4
390.96158	3.7
419.28024	9.7
455.32019	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	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.81189	0.7
55.05495	2.5
57.03445	3.2
57.07080	19.8
61.44334	0.5
62.06093	25.5
67.05512	5.0
67.99709	0.5
69.07049	2.8
71.08638	13.6
79.05511	0.8
81.07059	5.1
83.08622	3.8
85.10184	8.8
89.06059	0.8
95.08147	0.6
95.08615	7.6
97.10162	2.2
98.98477	4.4
99.11784	0.8
109.10172	4.5
124.01620	1.4
137.05998	1.7
142.02646	1.4
149.05908	0.6
150.06068	0.6
155.01051	5.0
162.32243	0.6
163.07538	1.5
177.09081	0.7
198.05264	1.1
216.06345	3.4
239.23753	1.9
282.27921	11.1
313.27380	100.0
314.27734	2.4
393.23990	7.6
436.28345	4.6
437.66638	0.7
454.29459	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.01873	14.8
55.05513	19.7
57.07073	15.2
64.29040	2.6
65.03970	4.3
66.92126	2.6
67.05512	34.1
69.03438	4.0
69.07075	12.4
71.04990	3.5
71.57896	4.3
79.05491	25.5
81.03436	8.3
81.07066	26.7
83.04980	11.0
83.08614	10.1
85.02904	5.0
85.10190	33.9
87.25332	2.5
91.05471	22.9
93.07056	24.1
95.01312	4.6
95.04980	11.3
95.08612	22.2
97.02892	5.4
97.06502	3.8
103.05463	3.0
105.07024	20.1
107.04972	12.3
107.08601	16.5
109.06512	6.5
109.10161	16.5
111.04497	3.7
111.08096	4.5
113.09644	24.4
115.30704	2.6
117.07042	8.9
119.08598	14.6
121.06550	6.2
121.10152	13.6
123.04475	10.9
123.08046	7.7
129.06978	6.9
131.04941	3.8
131.08617	8.9
133.06497	5.1
133.10143	12.6
135.04419	3.4
135.08043	6.9
135.11685	7.8
137.06046	4.0
139.03915	3.7
143.08568	5.1
145.06529	6.8
145.10135	6.5
147.04475	3.3
147.08020	5.4
147.11702	6.0
149.05966	6.5
149.13252	3.4
151.03969	3.5
157.06580	3.9
157.10127	7.5
159.11713	4.8
161.06000	7.2
161.09645	5.3
163.04018	4.1
163.07556	6.7
163.11183	4.4
165.05455	3.8
165.12825	3.6
166.92912	2.8
169.10175	5.1
171.04494	2.6
171.08141	4.0
171.11716	2.8
173.05911	4.0
173.11876	3.8
175.07716	3.4
175.11157	4.3
177.05504	4.0
177.12778	3.5
187.11261	6.2
190.13763	2.7
193.12334	4.6
199.11348	4.0
201.09093	4.2
203.10773	4.5
205.12128	3.6
215.14355	3.4
217.12331	3.8
221.11638	3.4
231.10155	6.6
249.11296	8.8
263.12720	3.6
277.14301	4.8
277.21692	9.5
287.12784	14.7
289.10638	4.6
305.13889	15.3
307.11703	3.2
307.22751	5.3
323.14951	9.8
335.22217	15.6
343.18973	4.5
345.24405	4.0
347.22379	6.4
358.84592	3.1
365.23294	7.3
371.22073	3.9
373.23792	11.8
379.17441	4.3
389.23230	5.2
391.24762	51.0
399.21713	7.5
407.24310	27.4
417.22675	17.7
425.25443	30.8
435.23764	100.0
453.24695	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	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.7
55.55764	0.9
57.03444	7.6
57.07067	4.4
60.00727	1.0
64.62459	0.9
64.83138	1.0
67.05515	11.9
69.06723	1.2
69.07074	19.5
70.06554	1.1
71.08627	2.4
71.59519	1.3
74.96802	0.9
79.05502	4.8
79.05942	1.0
81.03409	1.4
81.07059	11.0
83.08624	9.7
85.10220	1.0
91.05508	1.7
93.07054	6.1
95.08612	8.5
96.08979	1.1
97.06524	2.6
97.10164	5.4
107.08585	4.1
109.10155	4.9
111.11746	1.7
114.10313	3.4
121.10185	6.4
123.11680	2.0
135.11736	4.9
149.13239	1.5
153.12738	1.6
163.03983	2.1
207.06453	2.0
257.10629	1.0
280.26309	2.5
311.25830	100.0
312.26218	4.3
416.67834	1.0
452.32718	2.0
472.52017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.1
55.01861	6.6
55.05516	19.3
57.03438	4.2
57.07065	6.9
61.02903	3.0
67.05506	25.7
69.03449	2.8
69.06717	3.1
69.07072	46.8
70.06596	2.6
71.04998	3.4
71.25071	3.5
71.25399	1.8
79.05502	17.7
81.03397	2.2
81.07062	100.0
83.04991	5.4
83.08626	16.6
85.02915	2.8
85.06549	6.2
91.05486	15.2
93.07053	33.3
95.04963	5.3
95.08615	59.2
97.02916	2.7
97.06554	9.9
97.10150	6.9
99.08101	6.6
105.07048	13.5
107.04947	3.1
107.08595	30.5
109.06525	13.1
109.10159	32.9
111.04439	6.1
111.08092	6.5
111.11699	5.5
117.07014	3.5
119.08598	13.3
121.06523	3.6
121.10179	19.2
123.08094	4.0
123.11716	17.5
125.05988	6.5
125.09602	2.8
127.03918	2.4
127.11194	7.0
128.06290	2.4
129.07019	3.6
131.08572	7.3
133.10123	12.3
135.08031	8.1
135.11684	18.6
137.05983	86.7
137.09613	5.4
137.13292	9.4
139.07584	2.1
139.11156	2.1
141.07016	2.4
142.07788	2.1
143.08565	5.8
145.10144	9.5
147.08078	2.2
147.11665	8.7
149.09618	7.9
149.13232	19.3
151.07549	6.8
151.14870	2.5
153.12791	9.3
155.08571	6.3
157.10172	7.2
159.11685	7.9
161.05917	2.1
161.09627	6.3
161.13249	5.1
162.45418	2.0
163.07562	2.9
163.11287	3.0
163.14813	3.8
167.07013	3.2
169.10150	3.2
171.11696	3.7
173.09560	3.1
173.13268	4.4
175.11185	4.7
177.09100	6.2
177.12790	4.3
179.10652	5.7
181.04881	2.5
183.11731	3.0
187.11153	4.1
187.14822	2.5
189.09271	2.3
189.12692	2.3
191.17928	2.0
193.12100	2.3
195.10193	15.7
195.11719	3.1
199.11166	3.0
201.12791	5.0
205.12321	4.6
209.18961	2.1
211.14818	2.2
213.12718	2.8
215.14363	2.3
217.12323	3.0
227.14342	2.9
227.17909	2.5
229.15985	4.8
239.17816	2.0
241.15993	2.6
243.17368	15.0
245.11749	4.6
245.15399	2.7
253.15799	2.5
255.17419	6.2
257.18942	2.5
259.16956	3.9
261.18661	4.5
271.17010	5.2
273.18503	16.1
275.20007	2.3
285.18402	2.2
289.14453	3.4
341.17590	1.9
379.29922	2.8
397.31113	17.3
405.34821	2.0
415.32169	21.3
433.32922	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	451.2844
Annotation	Usambarine
Peak:m/z	Relative Intensity
53.03939	0.8
55.01863	0.7
55.05498	1.8
56.96529	0.8
61.02907	0.8
61.25393	0.6
67.05506	7.9
68.99777	1.4
69.07065	1.3
70.10600	3.2
72.08138	1.1
74.89876	0.6
79.05135	0.6
79.05498	7.2
81.03394	0.7
81.07061	8.5
82.23154	0.7
83.08620	0.7
85.02885	1.4
91.05485	4.0
93.07062	4.9
95.04945	2.5
95.08613	4.9
97.02896	0.8
97.07640	1.0
97.10153	0.9
98.98456	0.9
105.07005	2.4
107.04941	6.0
107.08581	2.9
109.06508	2.9
109.10149	1.7
109.74483	0.7
114.10299	7.5
115.05437	0.8
119.08527	2.1
121.06497	1.8
121.10140	3.0
123.04430	56.4
131.08549	1.5
133.06444	1.3
133.10040	0.7
135.08025	1.0
135.11723	1.5
137.05981	50.6
138.06351	0.8
145.10147	0.6
147.04430	8.3
147.08028	1.5
148.05193	6.6
149.05991	16.3
151.07574	2.2
159.11775	0.9
160.05191	2.7
161.05991	33.1
161.09605	3.4
162.06746	0.8
163.07539	10.7
173.05957	1.7
174.06718	1.8
175.07550	7.1
177.09105	10.2
184.07405	0.6
187.07529	0.6
189.09111	100.0
190.09372	3.4
191.10655	1.9
203.10675	41.9
204.11031	1.5
215.10608	0.6
217.12254	3.1
231.13843	1.3
261.22647	0.8
269.10428	0.8
329.17432	1.1
343.19095	5.6
353.26782	1.0
369.20166	1.0
451.28442	77.7
452.28928	4.4
455.71896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46332	0.9
53.03941	7.0
55.01873	9.3
55.05271	1.5
55.05512	26.1
57.02774	1.0
57.03448	5.0
57.07079	6.4
65.03922	2.5
66.67186	1.0
67.01851	1.1
67.05505	36.0
69.03409	3.5
69.06785	1.1
69.07070	12.2
71.04989	5.3
71.57993	1.4
77.03934	1.7
79.05492	40.9
81.03426	6.3
81.07056	100.0
82.98975	2.3
83.01349	1.4
83.04981	16.3
83.08620	18.2
84.99288	1.1
85.02888	4.3
85.06532	2.0
91.05483	31.7
93.07048	26.4
94.07339	1.2
95.01328	12.2
95.04975	11.3
95.08610	20.2
95.77250	0.9
97.02875	1.5
97.06542	5.1
97.10147	3.5
99.08092	2.3
105.07030	26.9
107.04929	7.8
107.08591	20.5
109.02877	1.1
109.06519	42.8
109.10161	9.2
111.04437	1.6
111.08086	8.5
113.02370	1.3
113.09665	1.3
113.74595	1.1
115.05453	1.3
117.01031	5.9
117.07017	10.5
119.08578	26.1
121.02859	1.7
121.06536	5.2
121.10139	15.9
123.04446	1.4
123.08046	6.7
123.11723	6.5
125.09600	1.7
129.06975	2.9
131.08583	11.6
133.06471	1.4
133.09140	1.2
133.10129	19.7
135.02034	2.0
135.08087	4.7
135.11681	6.1
137.09625	2.7
137.13246	1.2
139.03854	1.3
139.11180	1.8
141.01817	11.1
141.06953	1.7
143.08528	3.1
145.06445	1.6
145.10133	13.1
147.02048	2.6
147.08028	2.7
147.11685	22.9
149.09628	10.6
149.13251	8.2
151.11150	3.1
153.06975	1.7
155.08522	2.0
157.10133	5.8
159.08032	1.8
159.11646	6.8
161.09604	3.4
161.13269	3.5
163.11156	11.4
163.14853	4.9
165.03119	6.1
165.12744	12.7
166.79625	0.9
169.10088	2.0
171.11620	2.1
173.09563	2.3
173.13252	5.2
175.01547	20.8
175.11182	4.8
175.14755	1.5
177.03894	1.7
177.12750	2.5
181.02588	3.2
181.10022	1.0
183.11589	1.2
187.11217	1.3
187.14787	2.1
189.12703	1.1
191.07108	1.2
191.14316	1.7
193.12212	6.0
197.13220	1.6
201.12741	2.4
205.12236	1.2
205.15828	1.2
219.13893	1.0
227.04576	1.2
229.14388	2.4
229.19533	3.6
239.17998	2.1
247.20567	8.4
257.18942	8.5
269.10300	1.9
275.06793	2.0
275.20068	79.6
276.20529	2.0
277.21640	5.5
285.33499	1.1
293.20972	1.9
313.11911	1.9
331.13037	13.6
341.17493	1.1
363.14188	2.7
377.09036	3.0
387.19171	9.2
395.10196	12.7
397.20264	2.6
415.21512	5.0
433.15338	6.6
433.22137	21.5
433.32867	1.7
451.16351	20.0
451.23175	18.9
452.16629	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35778	1.8
53.03949	4.7
55.01876	9.8
55.05516	30.4
57.03437	6.6
65.03943	2.8
67.05170	3.1
67.05508	40.9
69.03429	7.0
69.07078	19.4
69.27540	15.7
69.27963	5.0
70.06593	2.6
71.04992	3.8
79.05495	41.4
81.03422	8.2
81.07059	100.0
83.04989	5.7
83.08624	28.4
85.02918	7.3
85.06550	2.8
91.03938	2.4
91.05489	34.6
93.07046	33.9
95.01334	14.5
95.04978	14.1
95.08614	23.1
97.02911	3.3
97.06543	6.6
97.10181	2.3
99.08073	2.1
101.93484	1.6
105.07038	40.4
105.07765	2.3
107.04945	13.1
107.08598	18.1
109.06513	32.2
109.10166	12.2
111.08068	9.9
117.07011	11.7
119.08588	32.4
121.06526	6.5
121.10147	16.8
123.04447	2.9
123.08071	11.3
123.11694	9.1
127.04018	1.8
128.06163	2.3
129.07019	5.7
131.08577	15.1
133.06497	4.5
133.10110	21.6
135.08069	6.5
135.11696	7.3
137.05965	7.6
137.09618	5.8
139.11209	3.6
141.01825	11.5
143.08560	4.9
145.06480	3.1
145.10126	15.8
147.08038	3.0
147.11684	29.0
149.09648	12.8
149.13274	7.9
151.07558	2.1
151.11177	3.3
155.03490	1.6
155.08524	2.8
157.10173	9.3
159.11720	7.6
161.05890	1.9
161.09637	2.7
161.13293	4.4
163.11215	10.5
163.14825	3.3
165.05548	2.3
165.12753	12.6
169.10101	4.1
171.11711	6.0
173.09639	3.2
173.13252	5.1
175.11185	8.2
175.14705	2.8
177.03983	3.5
183.11827	2.1
187.11165	4.8
189.09062	2.2
193.12251	5.4
197.13293	3.1
197.76958	1.9
205.15910	2.4
207.13869	2.2
229.19424	3.9
239.17992	4.6
247.20607	7.9
257.19028	7.2
275.20068	71.1
276.20569	2.3
277.21481	2.1
287.12549	2.4
293.21161	3.6
294.94025	1.9
323.14938	2.9
359.22211	3.1
369.20273	2.6
389.23618	3.0
397.20010	2.3
405.22720	2.1
415.21021	4.2
433.22107	34.7
441.10843	2.2
451.23090	34.5
451.28638	3.1
470.32959	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	451.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01857	4.6
55.05503	6.9
57.03425	2.1
61.02935	2.0
65.03923	2.3
66.92182	1.6
67.05515	7.9
68.99795	1.9
69.03426	10.1
69.07064	5.0
69.64323	2.2
69.64726	9.5
70.06586	4.5
71.04984	2.7
73.02908	2.3
75.04475	1.6
79.05493	14.1
81.03418	13.7
81.07066	12.3
83.05000	1.7
83.08620	2.5
85.02907	11.8
85.06544	2.6
91.05489	9.5
93.07058	21.8
95.04974	9.3
95.08595	11.4
97.02891	6.7
97.06552	8.6
97.10171	1.5
99.04429	2.5
105.07036	5.9
106.80026	1.5
107.04944	4.6
107.08586	6.0
109.02866	7.6
109.06467	2.0
109.10178	9.6
111.04428	3.3
111.08116	1.9
117.07023	3.6
119.08590	11.4
121.02875	61.8
121.10156	28.5
123.04396	3.8
123.11721	3.5
125.05994	15.0
125.09695	1.6
127.03903	5.1
131.04907	1.9
131.08563	3.3
133.10112	3.2
135.04437	1.6
135.08052	3.5
135.11678	1.8
137.06027	10.8
137.09711	1.9
139.03879	9.7
143.08493	1.9
145.04994	1.7
145.10072	3.1
147.04405	5.4
147.08109	2.3
149.09596	6.6
151.03949	3.1
153.05484	100.0
157.10092	2.1
159.04405	2.6
159.11725	2.7
161.05948	5.0
163.03908	3.3
165.05464	2.6
167.07042	6.1
167.10674	5.1
169.04987	13.4
173.06036	3.5
175.03793	1.4
175.07565	2.3
177.05481	9.8
179.07018	2.8
185.68961	1.5
189.05496	2.3
189.09091	2.2
189.12671	2.3
191.06972	10.6
193.05017	2.3
193.08615	13.8
197.06049	1.8
201.09146	1.9
203.07010	2.7
205.08595	2.1
207.06412	4.8
215.07010	3.0
217.08562	1.8
218.05722	1.6
219.06549	5.7
229.12218	4.1
231.06503	6.3
231.10136	1.9
233.08078	4.8
233.11853	9.1
253.21687	1.9
259.09695	3.6
261.14954	8.0
265.06937	7.3
271.13403	3.6
281.13943	2.2
283.08203	2.4
289.14371	16.7
362.89508	1.7
397.16379	1.7
415.32022	1.9
433.18661	3.4
451.19247	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37397	0.3
55.01867	0.4
55.05512	0.3
57.03458	0.2
61.02924	0.4
65.82629	0.3
69.03424	1.1
69.77833	0.3
69.78246	1.2
71.05034	0.3
73.02894	0.4
79.05491	0.6
81.03418	0.8
81.05820	0.3
81.07062	0.4
83.04918	0.3
84.04507	0.3
85.02901	2.1
91.05477	2.0
92.06300	0.3
93.07053	0.5
94.06579	0.7
95.08600	0.4
96.08147	0.7
97.00816	0.2
97.02901	1.0
104.05006	0.4
106.06524	1.2
108.08160	0.6
109.02914	0.3
116.05020	0.3
117.05836	0.2
118.06548	1.8
119.07320	0.7
120.08114	11.6
122.09723	0.6
124.07598	7.0
126.09144	1.1
127.03903	0.5
133.05298	0.3
134.06017	4.7
136.07590	2.4
138.05508	1.0
138.09113	0.4
145.02855	0.2
145.04924	0.3
146.05969	2.2
147.06792	2.5
148.07579	10.7
150.09138	0.6
152.07149	1.2
153.01831	0.8
163.03943	0.7
164.07076	55.3
165.07474	1.2
166.08655	2.2
174.12822	0.3
195.02931	0.3
200.10789	0.5
202.12192	0.3
214.11028	0.7
215.11830	0.3
215.15549	1.7
216.10208	1.5
225.14073	0.3
226.12325	0.6
228.10204	0.7
229.13367	1.3
232.09674	0.3
243.14949	5.7
245.16508	3.2
253.13423	1.0
254.11823	0.9
256.07736	0.3
271.14432	21.1
272.14828	0.7
281.18881	0.3
289.07111	2.1
289.15479	100.0
290.15833	2.5
318.07089	0.3
319.07220	0.6
321.37848	0.3
351.34155	0.3
451.20859	2.9
451.33173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
57.83113	1.2
66.81989	1.5
69.03430	3.0
70.16977	6.9
74.97610	31.6
74.98029	1.6
79.56621	1.4
83.06102	2.5
84.96044	6.0
85.02910	3.0
86.97617	3.3
92.98632	7.0
95.05003	2.8
97.99187	1.6
98.20842	2.0
98.97592	2.8
101.07190	1.2
114.97091	2.2
116.98628	4.0
123.04424	3.8
129.00177	1.5
132.04456	11.0
132.98082	12.1
133.01772	1.9
133.04762	1.6
134.99654	3.4
143.03806	2.8
147.09218	1.7
148.03938	2.8
150.99147	79.3
158.99657	1.8
159.03273	3.6
161.04868	45.1
161.98175	1.4
163.03928	5.6
167.07036	1.6
169.00211	67.2
174.00774	4.7
177.04333	7.3
179.05925	34.8
179.07407	2.6
184.06540	2.9
190.98666	4.3
191.05951	4.7
192.01749	2.3
195.05460	6.2
205.03809	3.1
208.99698	40.2
209.01607	2.5
219.05379	16.0
223.04933	10.0
227.00751	12.6
232.01317	3.2
237.06416	9.5
245.03430	4.0
245.10652	5.6
263.04391	61.2
263.11639	5.3
277.06018	5.8
281.05441	45.2
282.10883	1.5
286.05978	10.0
295.07071	2.0
304.06961	2.2
317.09073	4.8
321.04944	34.6
331.10666	6.4
335.10300	3.4
339.05984	7.8
352.33066	1.5
362.07693	2.2
375.09595	8.2
393.10635	5.7
409.57635	1.4
451.11313	4.4
451.17789	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	451.0874
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
55.01871	0.7
55.05508	0.9
55.74112	0.5
57.03424	1.0
61.02925	2.6
67.05496	1.0
67.63626	0.6
68.99787	1.0
69.03426	2.4
69.15556	0.7
69.40692	5.1
70.06599	2.8
71.04961	0.8
72.08151	0.6
73.02922	15.2
79.05477	1.6
81.03387	1.4
81.07055	1.1
83.04943	0.7
85.02907	2.6
86.09715	0.9
91.05471	1.3
93.07036	0.9
95.04971	1.4
95.08601	0.9
97.02885	1.4
97.06526	1.7
98.06068	0.8
105.07010	0.7
107.04940	0.8
107.08596	0.9
109.02898	1.7
109.10153	0.6
110.54585	0.5
111.00798	2.3
111.04454	0.8
112.07594	0.7
114.10255	0.9
115.03934	0.7
121.02888	1.6
121.26592	0.6
123.04427	0.8
124.07578	0.8
127.03907	1.5
131.04961	0.7
131.08441	0.6
132.04404	0.5
135.04430	0.8
136.07637	0.7
137.02321	2.2
137.05971	3.3
139.03940	4.7
140.07042	1.0
147.04477	0.7
149.05919	0.8
151.03946	0.9
153.01842	10.3
154.04994	0.8
161.06007	1.1
163.03923	2.4
164.07104	1.3
165.01852	3.0
166.02711	0.8
167.07060	1.1
175.03891	0.8
179.03421	1.6
181.04968	1.2
183.02898	1.2
189.05504	1.4
189.09010	1.0
197.11757	0.7
201.48080	0.6
203.03387	1.1
213.09238	0.7
217.05026	2.5
237.02832	0.7
245.04422	4.7
255.02913	0.7
257.04428	0.6
259.09637	1.5
273.03943	4.1
289.06860	0.8
289.12128	1.0
289.15451	0.9
290.04312	1.3
304.05292	0.7
319.04495	100.0
320.04813	2.3
348.41202	0.6
409.08954	0.7
433.15369	0.6
451.10294	1.1
451.16010	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	450.2852
Annotation	Delpheline
Peak:m/z	Relative Intensity
53.03952	1.2
55.05520	4.7
57.03436	7.9
57.07085	7.7
58.03764	1.3
58.07409	1.7
65.03938	1.2
67.05508	24.7
69.03419	1.4
69.07074	4.2
69.67029	1.6
69.67429	5.3
70.43037	0.9
71.08636	4.9
72.08949	1.1
78.20272	0.8
79.05497	8.2
80.05002	1.3
81.03449	1.4
81.07064	21.4
82.07416	1.1
83.04992	1.9
83.08621	3.6
83.62154	0.8
85.02917	1.1
85.10193	2.3
91.05495	6.2
93.07050	10.4
94.06586	2.1
95.04944	1.1
95.08610	18.4
96.08151	0.9
96.08959	1.0
97.02924	1.5
97.10193	1.4
98.98466	12.9
105.07043	4.4
106.06560	1.0
107.08618	6.1
108.08139	1.2
109.10162	9.2
110.06008	0.8
110.09711	1.1
111.04469	0.8
117.07037	1.9
119.08609	2.3
120.08112	1.2
121.10143	4.1
122.09679	2.3
123.11708	5.4
123.23635	0.8
131.08524	4.6
133.10110	1.4
135.11720	3.6
137.00020	10.0
137.13275	2.2
138.00420	1.1
145.10164	3.3
147.11743	2.1
149.13310	1.8
150.09143	0.8
155.01044	10.5
156.01422	1.7
159.11688	1.6
161.13348	1.4
163.11238	1.0
163.14821	1.7
173.13234	1.1
187.14880	2.0
190.07108	1.0
193.02650	1.0
243.21196	3.8
261.22150	12.6
261.24457	1.1
306.24509	1.4
313.27530	1.3
314.27750	9.9
348.61029	0.9
390.26395	1.7
414.26340	1.3
432.27579	3.5
450.28424	100.0
451.28818	4.8
453.51428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01866	1.8
57.03442	3.9
61.02927	4.7
65.03924	1.8
69.03434	10.3
69.67973	4.7
70.06596	1.5
71.04991	1.3
72.08158	1.2
73.02911	2.9
81.03442	3.8
83.04982	1.2
85.02910	63.6
87.04468	1.3
91.03954	2.3
91.05486	100.0
92.05820	1.4
97.02901	33.6
99.04441	2.2
103.03943	1.4
105.07012	1.2
108.14777	0.8
109.02886	5.2
115.03931	5.0
117.07001	2.0
117.64505	0.9
122.44363	0.7
124.07570	2.1
127.03929	16.6
129.07005	1.4
133.05084	0.9
133.06499	2.4
137.05966	1.3
143.08580	1.0
145.04968	31.2
148.07590	0.9
156.10156	1.2
157.06436	1.2
161.04459	3.1
161.05731	0.8
163.06024	14.8
167.06955	0.9
171.08084	1.9
175.07475	1.4
178.17566	0.9
181.06975	0.9
205.09271	0.8
217.08504	4.0
235.09630	3.1
253.10706	4.0
271.11877	1.4
325.11310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3264
Annotation	Xestobergsterol A
Peak:m/z	Relative Intensity
50.36010	0.3
55.05498	0.8
57.03418	0.6
57.07072	0.5
62.98208	0.3
65.03947	0.9
67.05521	1.3
69.07063	1.1
69.30726	1.4
69.31161	1.3
71.08633	0.9
76.21706	0.2
79.05489	0.5
79.64036	0.3
81.07059	1.9
83.08621	0.9
91.05484	10.3
93.07035	0.6
95.04975	0.4
95.08628	1.3
97.10190	0.4
98.98462	0.5
107.04938	0.4
107.08587	0.5
109.10142	1.1
119.04950	23.7
124.46474	0.3
124.73769	0.3
137.00006	0.6
137.02379	0.3
137.13123	0.4
139.55592	0.3
147.04414	100.0
148.04761	1.3
155.01004	0.7
165.05461	2.5
189.11249	0.3
207.87497	0.3
262.56860	0.3
313.27359	0.5
354.92828	0.3
357.23901	0.4
431.31540	0.9
449.27353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1739
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.59893	0.3
67.43636	0.3
68.58052	0.3
69.03410	0.5
69.07066	0.5
70.06604	0.7
71.00044	0.8
81.03436	0.4
85.02895	0.9
86.09711	0.5
88.92252	0.3
91.05485	0.9
95.08585	0.3
97.06493	0.4
112.23984	0.4
113.02130	65.0
120.08126	0.5
131.03159	0.6
137.05969	0.6
147.04404	0.6
148.11188	1.6
149.16435	0.4
149.52829	0.4
154.04816	0.4
169.35796	0.3
170.09435	5.1
253.18057	0.4
270.10947	0.9
288.12064	100.0
289.12463	2.3
329.14819	0.8
450.17371	80.8
451.17889	2.0
458.91260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04393	0.3
55.01896	0.3
55.05508	0.5
57.03432	0.9
57.07061	0.7
57.83197	0.3
65.03946	1.0
66.34744	0.3
67.05504	1.2
69.07062	1.0
71.08633	0.6
71.59083	0.5
79.05487	0.6
81.07069	1.6
83.08610	1.1
85.10178	0.3
91.05486	10.1
93.07050	0.5
95.04942	0.6
95.08627	1.6
97.10181	0.8
98.98471	0.8
105.07023	0.3
107.04967	0.4
109.10168	0.8
119.04955	23.3
121.10220	0.4
131.08531	0.3
135.11734	0.3
137.00006	0.8
147.04420	100.0
148.04742	1.1
155.01155	0.6
165.05508	2.5
279.23346	0.3
313.27426	0.7
357.24274	0.5
431.31857	0.7
442.75851	0.3
449.27338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01879	23.5
55.05262	1.8
55.05515	25.5
57.03440	6.9
57.07082	14.0
60.27954	1.3
67.05512	39.3
69.03403	2.0
69.07081	14.9
70.06589	4.1
70.54066	4.8
71.04988	3.2
71.08618	3.7
79.05501	24.2
81.03417	4.5
81.07062	61.2
81.28184	1.3
83.04975	8.6
83.08639	12.4
85.02903	3.1
85.06548	2.2
85.09718	1.9
85.10190	24.1
91.05485	27.5
93.07047	24.0
95.04972	14.5
95.08616	30.2
97.06530	7.0
97.10173	2.4
98.98471	19.9
99.08095	3.4
105.07035	22.6
107.04974	16.1
107.08598	18.8
109.02872	2.0
109.06519	14.5
109.10152	10.7
111.04448	4.3
111.08080	26.6
113.09652	26.5
117.07019	3.9
119.08587	16.5
121.02876	3.5
121.06502	3.9
121.10147	14.2
123.08083	6.2
123.11691	5.3
125.09684	1.7
129.07011	3.1
131.08589	8.3
133.10141	13.1
135.08073	3.6
135.11690	6.8
137.05927	3.9
137.09604	2.4
137.13274	2.4
139.03935	1.6
139.11148	2.3
143.08522	3.4
145.10114	6.7
147.08092	3.0
147.11696	17.1
149.09634	9.6
149.13255	6.9
151.07549	2.7
151.11159	4.1
151.14801	1.5
153.12694	2.2
155.01051	4.1
155.08627	1.4
157.10110	3.3
159.11673	4.2
161.05978	4.6
161.09683	1.6
161.13278	6.3
163.11194	8.4
163.14784	1.5
165.12770	28.0
171.11766	1.7
172.66653	1.5
173.02089	1.9
173.13158	2.1
175.11238	5.7
175.14897	1.7
177.12714	1.7
179.14308	4.8
184.07350	1.5
185.13211	2.1
187.13351	2.0
189.12827	1.6
193.12195	2.0
193.15901	1.5
206.12375	1.4
207.13829	1.6
215.17906	1.3
221.15375	1.7
229.19453	2.3
247.20593	2.7
249.22220	3.6
252.86639	1.7
257.18982	2.9
259.20584	4.5
275.20065	33.3
276.20618	1.6
276.43683	1.5
277.21625	67.6
293.21176	3.1
295.22607	7.2
351.25320	100.0
352.25717	3.1
403.24588	1.7
431.22992	3.1
449.24823	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	449.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01859	2.2
55.05510	10.2
57.03439	6.3
57.07074	2.0
67.05172	1.7
67.05509	25.8
69.03412	1.2
69.07066	10.2
69.87576	5.7
70.06583	1.0
70.69263	0.8
71.04993	2.3
71.08634	30.6
79.05495	26.3
81.03408	3.4
81.06573	1.7
81.07059	30.4
83.04991	5.8
83.08617	6.4
85.06566	2.0
91.05479	18.3
93.07050	32.2
94.05044	0.8
95.04971	6.5
95.08047	1.5
95.08614	21.0
97.06540	5.7
97.10163	3.0
98.98466	9.9
99.08102	20.0
105.07047	14.1
107.04951	4.8
107.08597	18.7
109.06507	2.4
109.10157	7.0
111.08077	2.3
113.09654	1.5
117.07008	2.4
119.08578	11.4
119.09375	1.4
121.06540	1.4
121.10130	12.6
123.08080	1.0
123.11723	1.7
125.09573	1.0
129.06981	1.9
131.08568	3.7
133.10143	6.9
135.11705	19.8
137.09589	1.8
137.85886	0.9
141.09106	2.5
141.26892	1.1
143.08548	2.2
145.10133	3.4
147.08043	0.8
147.11707	3.7
149.09595	0.9
149.13289	4.7
151.11176	11.5
153.12772	1.2
155.01053	2.8
157.10146	1.3
159.11676	2.3
161.13255	6.8
163.11226	5.4
163.14815	1.8
165.12785	1.3
167.10680	1.2
171.11674	1.3
173.02171	0.9
173.05984	1.0
173.13286	1.6
175.14839	1.3
177.12772	2.2
179.14313	60.4
180.14601	1.7
181.12251	1.4
183.90573	0.7
185.13326	1.4
189.12770	1.4
195.13776	2.0
203.14507	1.2
221.15355	2.2
231.96790	0.9
235.16942	3.2
241.19533	1.8
259.20624	4.0
277.21634	41.3
278.21967	1.5
295.22528	1.2
315.19397	2.7
333.20135	3.0
351.25308	100.0
352.25620	3.8
431.21475	3.1
449.21426	6.0
449.28909	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	449.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01859	2.2
55.05510	10.2
57.03439	6.3
57.07074	2.0
67.05172	1.7
67.05509	25.8
69.03412	1.2
69.07066	10.2
69.87576	5.7
70.06583	1.0
70.69263	0.8
71.04993	2.3
71.08634	30.6
79.05495	26.3
81.03408	3.4
81.06573	1.7
81.07059	30.4
83.04991	5.8
83.08617	6.4
85.06566	2.0
91.05479	18.3
93.07050	32.2
94.05044	0.8
95.04971	6.5
95.08047	1.5
95.08614	21.0
97.06540	5.7
97.10163	3.0
98.98466	9.9
99.08102	20.0
105.07047	14.1
107.04951	4.8
107.08597	18.7
109.06507	2.4
109.10157	7.0
111.08077	2.3
113.09654	1.5
117.07008	2.4
119.08578	11.4
119.09375	1.4
121.06540	1.4
121.10130	12.6
123.08080	1.0
123.11723	1.7
125.09573	1.0
129.06981	1.9
131.08568	3.7
133.10143	6.9
135.11705	19.8
137.09589	1.8
137.85886	0.9
141.09106	2.5
141.26892	1.1
143.08548	2.2
145.10133	3.4
147.08043	0.8
147.11707	3.7
149.09595	0.9
149.13289	4.7
151.11176	11.5
153.12772	1.2
155.01053	2.8
157.10146	1.3
159.11676	2.3
161.13255	6.8
163.11226	5.4
163.14815	1.8
165.12785	1.3
167.10680	1.2
171.11674	1.3
173.02171	0.9
173.05984	1.0
173.13286	1.6
175.14839	1.3
177.12772	2.2
179.14313	60.4
180.14601	1.7
181.12251	1.4
183.90573	0.7
185.13326	1.4
189.12770	1.4
195.13776	2.0
203.14507	1.2
221.15355	2.2
231.96790	0.9
235.16942	3.2
241.19533	1.8
259.20624	4.0
277.21634	41.3
278.21967	1.5
295.22528	1.2
315.19397	2.7
333.20135	3.0
351.25308	100.0
352.25620	3.8
431.21475	3.1
449.21426	6.0
449.28909	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	449.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30055	1.8
55.01874	26.6
55.05515	16.4
57.03431	8.1
57.07077	10.3
61.31305	1.7
65.03932	2.3
67.05506	27.6
68.01148	1.5
69.03419	2.6
69.07068	11.1
70.06596	12.8
71.05003	3.4
71.06948	1.7
71.08627	3.5
71.09769	1.9
71.58362	2.0
71.58833	2.5
75.63368	1.9
79.05497	12.7
79.30084	1.6
81.03418	5.7
81.07064	32.4
83.04981	7.3
83.08628	11.3
85.06574	2.6
85.10192	22.4
88.24485	1.6
90.42908	1.5
91.05482	18.9
93.07040	18.7
95.04983	5.8
95.08607	25.4
97.06545	6.8
97.10178	3.3
98.98461	17.9
99.08092	1.9
105.07047	13.2
106.15352	1.7
107.04977	9.6
107.08601	12.4
109.06530	5.8
109.10165	10.8
110.85299	2.2
111.08084	22.6
112.08708	2.2
113.09645	27.5
117.07039	4.0
119.08578	9.1
121.10160	12.9
123.08052	4.5
123.11739	3.7
127.03889	2.0
130.59050	2.0
131.08575	3.2
133.10089	9.9
134.71257	1.7
135.11673	8.5
137.05966	6.0
137.13260	2.6
145.10130	3.8
147.08037	1.8
147.11668	10.4
149.09657	7.3
149.13222	2.5
151.11209	5.0
153.12769	2.6
155.01096	4.4
157.10149	3.2
159.11673	3.6
161.13277	4.9
163.11212	5.7
165.12737	22.8
175.11293	2.1
175.14830	1.8
179.14349	4.0
187.13301	3.0
193.12314	3.3
201.09146	2.3
212.10727	2.0
231.21111	2.8
249.22186	5.0
259.20685	5.9
275.20242	2.0
277.21634	65.0
278.21875	2.5
287.05374	3.8
295.22763	7.1
351.25305	100.0
352.25644	3.3
431.21951	5.3
449.30533	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	449.2152
Annotation	Phe Pro Trp
Peak:m/z	Relative Intensity
55.05503	1.5
67.05496	3.3
69.30483	3.5
69.30902	6.8
70.06599	1.4
79.05519	2.5
81.07047	2.4
83.08547	0.9
91.05485	2.1
93.07040	1.6
95.02026	1.0
95.08627	1.7
98.20737	1.7
98.98481	1.0
99.44015	0.8
105.07050	2.1
107.08589	2.1
119.08609	1.0
121.10159	1.4
135.11728	1.0
137.05933	1.0
149.13161	1.1
173.13203	1.1
210.22203	0.9
243.14447	2.1
275.20065	1.4
315.19254	1.8
351.20209	3.7
351.25415	3.2
384.97699	1.0
386.01895	1.1
404.02982	4.0
409.03625	2.2
427.04269	1.2
434.73306	0.9
449.21509	100.0
450.21860	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	449.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01873	0.6
55.05494	0.7
61.02921	0.8
65.63021	0.5
67.05514	1.0
69.03417	1.2
69.59193	2.8
70.06559	0.6
71.04965	0.5
78.04716	0.6
79.05486	1.6
81.03441	1.1
81.07056	1.1
85.02905	1.7
91.03957	0.8
91.05478	2.9
93.07040	1.7
95.04963	0.7
95.08607	0.9
96.81156	0.5
97.02886	0.6
97.06541	0.5
103.05457	0.6
105.07043	7.1
107.04936	0.8
107.08573	1.4
109.02912	0.5
113.84846	0.4
115.05453	1.8
116.06223	0.7
116.98625	0.4
117.06990	2.4
119.04928	1.7
119.08578	1.3
121.06490	1.3
123.04453	1.4
123.08070	1.6
128.06210	0.6
129.07024	0.6
131.04938	0.8
132.05708	0.7
133.06490	8.7
133.10130	0.6
135.08022	0.7
137.05974	1.4
143.08606	0.9
145.06439	0.9
147.04391	0.9
149.63414	0.4
151.07532	9.1
153.05510	0.7
155.03584	0.5
161.05983	9.1
162.06754	2.3
167.05640	0.8
167.07043	13.8
171.08054	1.1
173.13150	0.6
175.07559	2.5
177.09109	100.0
178.06252	0.6
178.09496	1.1
181.04781	0.5
191.07095	0.5
193.08609	42.0
194.08864	0.6
195.10178	6.1
195.12926	0.5
203.10713	2.3
207.10065	0.4
220.81262	0.5
221.11736	16.3
235.09662	0.8
257.09866	0.4
267.12271	8.8
283.09515	0.5
287.05521	11.8
287.13861	0.6
288.05661	0.5
303.05026	0.6
315.12125	0.8
329.13583	0.5
357.13336	2.0
374.13751	0.9
375.18268	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.05491	0.3
57.03455	1.8
57.03671	0.3
61.02923	2.1
65.03928	0.4
67.05499	0.4
67.52531	0.3
69.03412	0.9
70.85050	0.5
70.85379	0.6
73.02921	15.8
75.04489	2.6
81.07066	0.5
83.59613	0.4
85.02894	1.1
87.02285	0.3
91.05492	0.7
92.02617	0.9
93.03407	0.7
97.02908	0.4
97.39269	0.3
102.34389	0.3
105.07037	0.4
115.03882	1.2
121.02876	1.0
128.10764	0.4
129.06874	0.4
133.10132	0.4
136.07541	0.5
137.05959	0.4
139.03917	0.7
147.04419	1.0
151.03903	1.1
153.01834	7.2
157.72380	0.4
165.01860	0.9
173.83347	0.4
177.05521	0.6
201.05441	1.0
220.16342	0.4
228.04160	0.8
229.04945	3.2
238.78134	0.4
245.04434	0.6
246.05266	1.3
252.21312	0.4
257.04459	2.9
261.07831	0.4
273.03918	1.7
274.04718	3.8
285.03989	3.5
287.05594	2.0
302.04233	10.9
303.04971	7.5
317.06573	100.0
318.06998	3.7
361.23566	0.4
420.93784	0.4
449.31067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01845	0.6
56.96555	0.5
57.03423	0.8
61.02931	5.8
67.05490	0.5
69.03403	1.4
69.07047	0.6
69.62840	0.4
70.06566	0.8
71.04982	0.4
71.59971	0.6
72.64220	0.4
73.02870	1.7
78.98515	0.4
79.05456	1.5
81.03366	0.7
81.07046	1.1
85.02911	5.5
86.09691	0.6
91.03963	3.4
91.05460	1.4
93.07018	0.7
95.04924	0.7
95.08544	1.0
97.02874	3.0
98.97596	0.8
103.05425	0.5
105.07020	4.3
106.31754	0.4
107.04932	1.2
107.08542	0.8
109.02863	1.0
109.06496	0.6
109.10152	0.6
111.00774	0.9
115.05415	1.4
117.06981	1.3
119.04930	0.7
119.08582	0.6
121.02875	2.4
121.06514	1.1
121.10066	0.7
123.04403	0.7
123.08012	1.0
127.03883	1.7
133.02823	0.8
133.06488	4.1
137.02303	0.9
137.05943	0.9
145.04932	0.6
145.06483	0.6
147.04366	1.0
149.05933	0.6
149.09689	0.5
151.07552	5.0
153.01819	3.9
157.06467	0.5
161.05980	4.0
162.06764	1.3
163.03854	0.4
163.07529	0.8
165.01820	2.0
167.07042	8.3
171.08018	0.7
175.07585	1.3
177.09117	50.8
183.02943	0.9
187.40863	0.5
191.07109	0.5
193.08615	23.9
195.10170	3.0
203.10643	1.7
213.05475	0.9
221.11737	10.5
241.04672	0.5
244.09573	1.2
258.05115	1.1
267.12366	4.8
287.05508	100.0
287.12369	11.2
288.05838	2.6
317.06577	0.8
363.61353	0.5
378.15164	0.5
379.16232	0.7
389.14771	0.5
407.16132	0.5
449.17841	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	449.108
Annotation	Quercitrin
Peak:m/z	Relative Intensity
57.03444	4.1
65.42802	0.7
68.99786	0.9
69.03419	1.3
70.73510	1.6
70.73845	0.6
71.04996	28.3
73.02908	0.6
75.04496	0.9
85.02907	28.8
87.26203	0.6
109.10120	0.7
111.00771	0.9
111.04462	0.7
121.02884	0.7
129.05475	7.4
137.02406	3.2
137.03294	0.7
147.06540	1.1
153.01875	3.4
163.03912	0.9
165.01846	2.7
201.05515	1.7
229.04964	3.3
253.96957	0.7
257.04501	2.7
274.45139	0.7
285.03879	1.1
287.05521	10.1
303.05002	100.0
304.05334	2.5
317.06668	1.8
413.08099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.59912	0.1
53.03937	0.4
55.01865	0.6
57.03440	1.0
59.04992	0.2
61.02930	1.4
68.99786	0.6
69.03079	0.2
69.03433	3.4
70.06585	0.1
71.04980	0.4
71.37214	0.2
73.02917	0.4
79.05483	0.3
81.03422	1.6
85.02908	9.6
85.66331	0.1
87.04453	0.5
91.03983	0.5
97.02895	3.1
98.64986	0.1
99.04455	0.5
105.03411	0.3
107.04963	0.3
108.89515	0.1
109.02885	0.9
111.00807	0.7
112.84603	0.1
121.01988	0.2
121.02867	2.9
121.06479	0.1
127.03926	1.7
129.07021	0.2
133.02826	0.5
137.02368	0.8
140.44171	0.1
141.06955	0.2
145.02864	0.1
145.04979	1.7
145.06439	0.2
147.04385	0.5
153.01834	4.1
157.06479	0.4
161.06026	0.1
165.01846	1.7
171.04443	0.1
175.03922	0.2
183.02895	1.1
185.05986	0.5
189.05449	0.2
203.07051	0.2
205.03697	0.1
213.05458	1.4
229.04897	0.2
231.06514	0.9
241.04988	0.8
246.13474	0.1
258.05276	1.0
259.06015	0.4
269.04489	0.3
287.05505	100.0
288.05801	2.1
299.05524	0.2
315.65436	0.1
325.10657	0.1
329.06424	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	448.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.01867	2.3
55.05511	14.4
56.05042	15.2
56.96558	2.6
57.03442	3.4
58.06602	10.0
61.02932	3.0
65.03956	2.9
67.05501	10.2
69.03437	20.7
69.07072	6.3
69.96185	10.5
70.06599	11.3
71.05000	7.8
72.04525	2.0
72.08163	5.9
73.02922	2.8
74.06074	6.8
78.96523	1.5
79.05496	6.4
81.03425	12.7
81.07067	13.9
82.06579	8.2
83.04990	16.2
83.08621	10.5
84.04533	11.9
84.08148	7.2
85.02909	28.1
85.04023	3.1
85.06542	5.5
86.05583	2.1
86.06076	6.5
87.04470	4.6
91.05445	9.2
93.07037	10.5
94.06549	2.8
95.04436	1.9
95.04962	10.0
95.08592	9.4
96.08157	4.6
97.02905	13.4
97.06519	6.5
98.06035	2.8
98.09689	12.5
98.97594	4.3
99.04468	10.4
100.07640	6.9
101.06023	3.1
102.05591	2.4
105.07035	11.6
107.04979	7.2
107.08603	19.5
108.08134	6.7
109.02840	3.2
109.06535	18.4
109.10165	13.0
110.06033	6.0
110.09702	7.6
110.60378	2.0
111.04450	4.4
111.08107	3.5
113.06006	5.3
114.05577	2.7
115.03931	2.7
116.98631	3.7
117.07059	3.1
118.06580	5.3
119.04960	6.0
119.07338	38.8
119.08556	10.1
120.05714	4.1
121.10139	21.7
122.06051	4.0
122.09679	4.4
123.04452	4.3
123.08067	10.9
123.11712	6.6
124.07619	4.6
124.11238	5.9
125.09653	10.3
126.05508	3.5
126.09106	4.6
127.03918	10.2
128.07147	2.3
130.06535	3.9
131.04973	2.5
131.08594	6.5
132.08081	5.6
133.06477	3.5
133.10136	7.3
134.06076	2.0
135.04506	1.9
135.08102	8.2
135.11684	2.5
136.07584	2.4
137.02379	1.9
137.05980	6.1
138.09142	4.7
139.03912	3.5
140.07089	8.9
142.08658	5.2
143.08614	2.1
145.05000	3.7
145.10132	4.8
147.04449	3.4
147.07889	1.8
147.11725	6.5
148.07596	5.1
148.11255	2.5
149.02361	2.1
149.05910	1.8
149.09665	12.3
150.12801	2.3
151.03990	2.0
151.07556	2.8
151.11218	10.6
153.09077	4.6
154.05046	4.8
154.08652	3.6
155.05394	2.0
159.06516	2.4
159.11719	3.1
161.06003	2.4
161.13275	2.9
163.11217	2.1
163.14902	2.3
164.14436	3.7
165.05563	2.3
165.06937	1.8
165.12799	3.9
167.07039	1.6
167.10719	3.2
167.14302	8.5
168.10199	2.3
170.06151	2.6
173.13316	3.5
174.11307	6.0
175.11203	3.8
177.00769	2.4
179.07133	2.0
186.07610	6.5
187.06021	4.6
187.08797	4.3
189.12732	5.7
191.14331	4.9
192.13864	3.6
193.08516	2.8
193.12271	5.1
203.07039	2.7
204.08693	23.3
204.17372	1.8
205.08661	2.0
206.15520	4.1
207.13770	10.2
208.16933	2.4
209.09621	2.3
209.15396	19.6
211.13416	3.4
215.14319	2.2
216.11343	3.9
222.09711	20.8
223.09741	2.7
224.16473	4.0
225.09242	2.4
225.14931	6.1
232.16994	8.3
233.08080	4.5
233.15410	4.8
235.07645	4.3
236.08307	3.9
237.09122	6.5
239.07117	4.4
241.08601	12.9
244.10927	4.9
250.18048	45.7
251.09293	2.3
251.16411	15.4
252.10190	2.6
253.08664	4.3
254.11812	14.1
263.07202	3.0
267.06442	2.5
268.19092	77.3
269.07660	1.9
269.10278	6.6
270.11334	7.3
273.18311	2.1
281.08228	8.8
283.09641	11.1
286.07529	2.3
286.20105	9.4
287.05566	3.5
287.10870	2.1
287.13995	4.9
298.10773	2.7
299.09167	2.2
300.12445	7.0
316.11877	7.7
344.11374	2.9
360.09808	3.3
362.12454	6.2
402.11926	11.9
412.23184	3.4
425.27762	2.0
430.24451	23.7
431.23007	2.0
448.12488	14.8
448.19217	3.3
448.25510	100.0
449.20029	4.1
449.26053	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01625	0.6
55.01880	9.0
55.02140	0.7
55.05516	24.5
57.03442	32.3
57.06821	0.7
57.07081	8.7
63.10177	0.4
66.92425	0.4
67.05508	8.0
69.07074	25.3
69.42875	2.7
69.43299	1.5
71.04996	0.5
71.08636	5.5
73.02917	1.0
73.29235	0.5
79.05504	5.2
81.03398	0.5
81.07064	6.9
83.04974	1.3
83.08625	20.1
85.10189	2.1
91.05478	0.8
91.65939	0.4
91.75301	0.4
93.07053	4.3
95.04943	0.7
95.08610	6.5
97.06530	2.0
97.10182	12.7
98.98473	44.7
99.08137	0.5
102.75085	0.4
107.08605	2.9
109.10159	2.1
111.08080	1.1
111.11736	3.3
116.99524	1.8
121.10146	4.3
123.11700	1.0
125.00014	0.6
125.13240	1.0
129.05490	1.5
135.11708	3.5
137.00000	45.0
137.13284	1.2
137.31174	0.4
140.01064	1.1
149.13263	0.9
155.01053	40.0
163.03934	0.6
163.14883	0.6
178.02669	2.1
193.02615	8.4
211.03677	5.9
219.21104	0.8
237.22159	9.3
265.04861	0.8
293.24792	1.6
311.25824	40.5
312.26123	0.8
353.51642	0.5
447.25101	100.0
448.25397	2.8
459.78094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01888	0.6
55.05511	3.7
57.03438	0.9
57.07074	0.9
61.74833	0.5
67.05505	5.2
69.03436	1.3
69.07075	5.1
70.06598	35.0
70.41179	0.5
71.04964	0.7
71.60181	0.9
72.08160	3.7
79.05512	3.1
81.03413	2.1
81.07064	7.1
83.04984	1.5
83.08640	3.2
85.02894	1.0
87.95634	0.5
89.10014	0.5
91.05441	3.0
93.07067	3.3
94.06578	0.5
95.04978	1.9
95.08613	9.5
97.02914	0.8
97.06606	0.5
97.07633	1.5
97.10156	1.6
98.98461	0.8
99.08075	0.8
105.07059	4.6
107.04984	0.5
107.08624	2.6
108.08141	0.7
109.10146	2.3
111.08026	0.7
111.11753	1.0
112.08741	4.2
114.05550	0.9
114.10300	11.6
117.06970	1.2
119.04977	0.5
119.08611	2.5
121.06515	0.5
121.10144	2.2
123.08078	8.8
123.11774	1.0
125.09630	0.7
127.03958	0.7
129.06989	0.7
131.08572	1.3
132.08070	0.7
133.10100	1.1
134.09619	1.3
135.08066	1.6
135.11688	1.3
137.06052	0.7
137.13239	1.8
139.11157	0.7
145.06480	0.6
145.10101	1.6
146.09631	0.9
147.11720	1.4
149.02370	2.0
149.09654	0.8
149.13275	0.9
151.07553	100.0
152.07874	1.6
157.10138	0.9
159.11751	0.9
161.06070	0.8
161.09657	1.1
161.85257	0.6
163.07558	0.7
163.11180	1.6
165.09152	0.9
172.11221	0.9
173.09525	0.8
173.11900	0.7
175.11237	1.5
177.09137	2.5
177.12755	0.7
179.05675	0.5
186.12825	0.7
189.12776	1.1
191.10692	9.7
193.12244	1.1
199.11205	1.5
203.10623	1.2
205.12189	2.7
205.86070	0.6
211.13200	0.8
215.14351	0.9
216.17473	0.6
217.12184	0.8
219.13783	0.6
231.13913	1.0
255.09081	1.1
275.20044	1.6
276.19684	0.7
285.17010	1.4
290.21155	1.0
291.26971	1.0
292.22772	1.5
297.27893	1.4
309.27844	3.9
322.65131	0.5
344.25894	4.7
349.23764	1.7
361.28757	0.7
370.29797	0.6
384.19293	0.6
386.28058	2.1
403.30679	10.2
404.31082	1.2
409.69553	0.7
411.32727	2.2
429.20920	0.6
429.26797	2.0
429.33667	9.9
447.29715	10.0
447.35489	0.6
448.29764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01874	7.9
55.05515	15.7
56.43941	1.9
56.96568	8.2
57.03190	1.9
57.03443	23.3
59.06127	3.5
60.08892	2.4
61.02930	51.5
65.03922	2.3
67.05506	29.1
69.03433	38.7
69.07073	11.4
70.06587	6.6
71.01361	4.6
71.04996	12.3
71.60069	2.7
72.08141	4.4
73.02924	23.1
75.04472	2.5
75.96082	1.9
79.05498	34.6
79.12379	1.8
81.03419	72.9
81.07056	39.1
83.04987	19.4
83.08621	24.0
84.08112	2.3
85.02906	82.4
85.06541	5.5
86.09717	4.5
87.04476	5.0
89.03918	2.5
89.06021	2.6
91.03951	32.1
91.05470	48.2
91.05992	2.5
93.07048	25.5
95.04973	34.1
95.08612	14.2
97.02895	56.1
97.06541	6.9
98.97596	12.5
99.04443	12.7
101.02362	11.8
103.03925	5.0
105.07028	28.6
107.04969	13.7
107.08594	11.7
109.02884	12.8
109.06532	8.2
109.10172	5.6
111.04449	6.9
111.08105	14.5
113.06010	2.6
114.10305	2.6
115.03906	4.2
115.41228	1.9
115.42310	1.8
116.98617	7.2
117.07018	2.9
119.04932	4.1
119.08587	27.4
121.06456	2.5
121.10141	14.2
123.04441	3.4
123.08044	3.1
123.11711	3.4
124.07584	5.4
127.03925	28.7
129.05493	4.6
129.07019	13.8
131.00188	5.0
131.08559	17.5
133.06456	2.7
133.10141	23.2
134.04892	2.1
134.99632	5.0
135.04427	7.5
135.08086	3.7
135.11745	4.3
136.06233	3.4
137.05969	6.4
137.09621	3.5
142.07806	3.2
143.05414	6.4
144.06314	2.0
145.02827	3.0
145.04968	6.2
145.10112	4.8
146.06038	5.8
147.04436	13.4
147.06795	2.6
147.08063	6.8
147.11682	25.9
149.01233	11.7
149.02345	6.1
149.05954	2.8
149.09628	9.2
151.03955	6.6
151.07430	1.8
151.11191	2.4
152.05992	6.4
156.03587	3.6
156.06178	2.0
157.10110	17.7
158.99689	3.6
160.07614	5.0
161.01237	2.4
163.03917	25.0
163.07481	2.0
163.14781	2.1
165.05530	2.3
165.06828	4.0
165.12791	5.7
167.02293	4.7
167.05771	1.9
167.07079	6.3
169.04970	8.6
171.06685	12.7
171.57018	2.0
173.13251	2.5
174.05545	7.5
175.11176	24.7
176.07065	4.5
177.00722	7.5
177.05478	3.4
180.07260	18.8
180.57509	3.2
183.06544	3.7
186.09149	5.8
188.06970	4.0
191.58087	5.3
193.12247	71.6
195.07922	2.4
201.07593	4.5
211.13292	74.8
211.15273	3.8
212.07040	29.4
213.07774	2.7
214.08646	8.5
228.06570	2.9
229.07332	5.2
230.08145	6.3
237.02892	3.3
242.08080	14.7
243.08698	4.5
252.09381	100.0
252.59558	29.5
253.09564	3.2
256.06018	5.2
260.09158	22.7
261.09970	2.7
267.09109	5.3
267.15891	19.4
278.10220	42.8
283.12204	2.5
285.10196	12.5
285.16943	75.6
296.12042	3.8
301.07095	3.3
304.08401	3.1
309.13831	3.9
309.16904	2.9
322.09021	5.6
361.02765	2.5
381.14432	2.3
411.20026	2.4
429.21042	7.6
446.35519	2.2
447.16287	4.9
447.21838	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97573	1.0
51.58163	1.3
53.03935	3.2
54.10621	1.0
55.01866	6.0
55.05267	1.3
55.05511	15.7
55.32454	1.1
55.68988	1.0
57.03445	8.5
60.05648	1.0
61.02907	1.4
65.03932	1.9
67.05503	27.1
68.05014	1.4
69.03436	2.5
69.07069	12.3
70.06591	100.0
71.04981	1.9
71.57678	1.0
72.08148	4.0
79.05492	24.7
79.29719	1.1
81.03423	13.1
81.07054	33.9
82.06576	1.2
83.04999	6.3
83.08613	10.0
85.02892	2.4
85.06524	2.1
85.07642	1.4
91.05473	24.1
93.07044	29.1
94.06580	1.7
95.04958	13.0
95.08607	13.4
97.02918	1.4
97.06528	6.0
97.07664	3.4
97.10178	4.0
98.98473	15.8
99.08093	1.6
102.01080	1.1
102.16298	1.3
105.07031	23.9
105.07683	2.1
107.04964	8.6
107.08597	14.6
109.06534	8.3
109.10172	7.9
111.08089	4.3
112.08715	14.1
114.05559	2.1
114.10297	15.9
116.98656	1.1
117.07008	10.2
119.04945	1.1
119.08587	16.5
121.06509	9.0
121.10137	8.3
122.09660	1.6
123.04419	1.0
123.08060	5.7
123.11720	2.1
124.87967	1.1
125.05952	1.0
125.09619	3.7
128.06189	1.7
129.07034	5.8
131.00090	1.4
131.04927	1.7
131.08565	16.4
133.06508	3.7
133.10123	13.2
135.08046	5.9
135.11696	8.0
137.02347	2.9
137.06050	1.7
137.09622	3.0
139.07506	1.2
141.06960	2.2
143.08559	5.5
145.06483	4.0
145.10120	12.7
146.09659	2.6
147.08022	3.5
147.11697	9.2
149.01213	2.0
149.02344	3.2
149.05960	1.1
149.08591	1.3
149.09589	6.1
149.13269	3.5
151.07491	3.3
151.11206	3.2
155.08546	3.2
157.10149	5.2
159.08057	4.3
159.11676	6.4
160.11194	2.2
161.09644	2.6
161.13223	2.7
163.11168	8.4
164.68356	1.2
165.12772	2.6
169.10146	2.7
171.11732	3.6
172.11191	1.9
173.02055	1.2
173.09601	3.0
173.13286	3.8
174.12778	1.1
175.11221	4.4
177.09073	1.9
177.12703	1.8
183.11700	3.4
185.13193	1.9
186.02652	1.3
186.12868	1.5
187.11244	1.4
187.14882	1.4
189.11176	2.0
189.12798	1.9
193.12276	3.6
199.14818	1.2
201.12775	3.2
203.14259	3.3
205.12230	1.5
207.13847	1.4
214.69688	1.1
215.17964	1.3
219.13721	2.0
229.19528	1.3
233.15358	1.6
239.17912	2.3
243.14030	1.3
247.20584	2.5
257.19107	7.7
267.15848	1.6
275.20071	51.0
290.21204	1.6
291.19376	1.2
292.22672	3.6
293.05124	1.9
293.21121	12.6
329.21155	1.9
337.21716	2.4
342.24139	1.7
344.25839	8.4
349.23749	83.6
350.24054	2.0
355.22833	5.8
373.23828	2.8
386.27863	3.8
403.25433	2.4
403.30615	10.4
429.20862	2.1
429.26517	3.8
447.29489	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	447.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.05513	19.6
56.96569	1.4
57.03429	4.4
59.05001	13.4
61.02917	3.3
67.05493	2.2
69.03432	10.2
69.09492	1.3
70.06576	1.5
70.66378	3.2
70.66731	3.6
71.04986	3.1
73.02914	2.9
79.88884	1.4
81.03429	10.1
81.07063	2.4
83.04990	36.4
85.02905	22.0
93.07012	1.8
95.04983	2.1
95.08646	2.6
97.02891	20.3
99.04452	3.8
101.06016	11.9
103.03950	13.3
109.02883	7.4
109.06542	2.3
110.03661	7.3
111.04440	2.9
119.04935	1.6
119.07040	4.4
125.05144	2.7
125.05995	25.3
127.03929	13.7
139.03896	3.6
143.07040	16.9
145.04968	14.2
146.05963	2.3
151.03906	1.9
153.05475	46.6
154.06236	16.0
163.03851	1.9
166.06296	2.1
167.07098	8.0
169.04988	4.9
170.05693	6.8
178.06255	7.2
182.05806	2.1
184.07201	2.1
185.08096	100.0
186.08577	2.4
187.06023	3.2
191.07167	2.1
192.07855	1.8
194.05620	3.0
195.06508	2.7
197.08083	1.7
203.09201	2.1
209.08110	17.2
220.07338	1.9
221.08151	2.6
223.09743	1.7
226.19154	1.5
227.09180	17.0
236.06865	2.4
245.10196	4.7
247.09583	4.1
251.09131	15.6
275.09164	22.3
293.10248	15.6
311.11639	2.2
322.09375	2.8
430.83029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	7.3
56.96563	3.0
67.05501	2.8
69.03424	5.9
70.06583	8.5
71.04978	2.3
71.41070	2.6
71.41393	2.4
73.04755	2.4
74.06077	100.0
81.03406	5.6
84.04495	6.8
84.08133	5.9
85.02897	8.7
85.07624	1.9
86.06041	3.5
86.09679	2.6
91.05800	15.1
95.04955	2.9
97.02885	4.8
98.06044	6.6
99.04411	2.7
102.05560	9.6
109.02871	7.1
110.07178	5.0
111.04433	3.3
112.11216	2.1
116.07086	49.5
116.98587	2.5
119.04958	2.3
120.06579	17.9
123.04472	2.3
127.03886	4.1
129.10275	5.9
131.04915	3.4
132.04419	2.5
137.06003	3.4
139.03915	3.7
144.06555	55.2
145.05003	4.2
146.66739	2.0
147.04387	6.8
162.07629	13.4
163.03893	3.1
166.53342	2.5
167.05595	4.1
167.06958	3.9
168.05627	3.0
203.06865	2.8
204.08603	2.3
210.07663	2.5
218.27438	2.2
231.06577	3.8
240.08766	2.4
245.87259	2.3
246.09785	6.6
249.07416	3.2
251.56499	6.0
264.10760	4.4
270.09836	11.9
284.05609	5.2
288.10779	6.8
328.76193	2.3
359.02570	3.3
360.02966	9.4
410.09232	2.6
430.08670	2.2
446.10480	5.4
446.15424	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	445.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05515	1.6
57.03432	2.1
59.63173	1.1
67.05504	2.8
69.03435	1.2
69.72568	3.0
69.72974	6.5
71.04986	4.7
79.05488	1.7
81.03428	2.8
81.07069	3.7
83.76118	1.1
85.02903	2.8
85.06536	1.5
91.05402	1.8
91.05854	2.0
97.02899	2.4
97.06509	1.7
100.11283	2.1
105.07047	2.3
107.08565	2.0
109.10162	2.0
118.03604	1.1
118.06488	1.4
123.11756	1.5
132.08124	1.9
133.08888	5.2
134.09657	6.0
137.02327	1.4
137.06017	2.0
143.04871	1.2
145.08919	2.1
146.06006	1.8
146.09662	2.6
148.11223	24.8
151.07631	1.7
151.11192	1.5
160.11229	33.6
162.12793	3.9
163.03908	1.3
165.11510	4.4
167.05556	1.3
178.12332	5.9
183.13789	1.6
187.13239	2.0
192.13860	30.8
206.11775	25.3
220.13330	33.1
220.15344	2.4
243.09416	1.5
248.12827	6.1
257.17542	3.4
266.13895	100.0
312.86078	1.5
359.02905	2.2
445.24448	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	445.2223
Annotation	DEL-22379
Peak:m/z	Relative Intensity
55.01878	11.2
55.05512	60.5
61.02929	7.7
67.05510	36.8
69.07074	23.7
71.60249	11.0
79.05488	22.5
81.03416	11.1
81.07069	44.1
81.13627	7.0
83.08621	34.6
91.05486	26.2
93.07058	29.5
95.05000	15.2
95.08612	32.5
101.06036	8.3
103.77073	7.2
105.03394	30.2
105.07040	23.5
107.04924	10.5
107.08602	16.2
109.10146	16.0
113.07596	7.4
113.09676	7.1
117.07024	16.1
119.08578	18.8
123.04424	78.0
127.03986	9.2
129.07019	11.0
131.08580	22.9
133.10126	9.4
137.02321	18.9
137.06018	17.4
145.11171	8.3
147.04451	9.8
149.05925	20.7
156.78494	8.0
159.26053	7.2
161.06000	32.1
163.03934	14.0
167.05609	8.0
173.06033	11.0
185.06027	9.1
187.04005	17.0
189.05495	100.0
191.03421	12.6
197.06003	10.1
201.05569	13.0
213.05519	14.8
215.07126	8.4
235.11180	12.9
251.10811	8.1
253.12376	12.1
269.11694	9.5
271.13406	8.9
279.10468	8.0
281.11639	27.0
297.11288	11.1
299.12845	46.3
307.87677	9.3
317.13913	18.8
317.21011	11.8
341.00769	7.6
359.02689	7.8
363.19629	16.5
373.18234	12.6
381.20569	11.8
391.19019	37.1
409.19592	65.7
409.24710	13.1
427.20087	38.6
427.25632	17.4
445.29495	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	445.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.9
56.05024	1.9
56.96568	19.7
59.06124	2.1
62.16979	1.6
69.03413	4.0
69.07050	1.9
69.84295	7.4
70.06573	4.0
70.97759	1.1
72.08138	1.7
73.04766	1.6
81.07060	1.6
83.04977	1.7
84.04505	3.9
84.08150	1.7
84.96052	1.6
85.02898	5.2
86.09684	5.7
91.05836	16.4
95.04986	2.7
96.08095	1.4
97.02885	2.6
98.97585	31.0
107.08572	1.6
109.02856	2.2
110.97566	1.4
116.01721	1.3
116.07028	1.5
116.97817	1.8
116.98621	27.5
121.02864	5.8
121.06439	1.7
123.08043	1.5
125.09614	1.9
127.03888	3.6
128.98643	1.8
131.08498	2.1
134.99677	18.1
135.08081	2.0
136.07619	1.6
137.08376	3.2
138.09097	2.0
140.00197	2.5
143.00220	1.6
146.06018	1.7
146.99660	2.0
153.06529	1.6
155.03787	1.9
158.01215	1.6
158.99663	7.6
161.01241	3.2
162.02258	1.9
163.68961	1.5
167.05542	6.1
167.06897	2.7
167.14349	1.9
170.06339	7.5
173.04918	4.4
177.00742	18.8
181.03763	1.6
182.04967	1.9
187.07578	1.7
195.01877	1.4
199.06378	2.0
211.06464	2.2
213.10686	1.6
219.01784	4.2
225.04353	2.1
225.07936	10.0
227.02240	1.6
229.07413	12.9
231.09052	4.6
237.02763	2.7
239.09583	3.1
243.09042	6.9
247.08423	2.8
253.07349	1.3
257.10565	2.9
258.18860	1.4
260.09085	4.4
265.11053	3.7
267.09064	7.0
271.08481	5.3
271.11569	1.5
283.08389	1.4
283.12149	7.3
284.05707	2.2
285.10107	4.3
298.12204	1.9
301.13168	7.6
325.13226	35.3
326.13513	1.6
337.29361	1.5
343.14337	28.3
344.14828	1.7
359.02908	10.2
360.02655	1.7
366.15842	5.0
385.15372	7.0
427.19824	3.0
445.18378	100.0
446.18671	3.5
463.18307	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	445.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01851	1.2
55.05494	0.6
57.03446	2.1
61.02935	3.3
67.05483	0.8
69.03437	9.1
69.07050	0.6
70.06555	0.3
71.04990	1.5
71.14775	0.7
73.02909	1.5
79.05466	0.7
81.03419	4.6
81.07024	1.0
81.35851	0.3
83.01321	0.4
83.04960	0.4
83.08609	0.3
85.02911	22.7
87.04446	1.0
91.03947	1.3
91.05405	1.5
93.07058	3.0
95.04932	0.9
95.08557	1.0
97.02306	0.5
97.02901	8.7
99.04482	1.8
105.07018	0.4
107.08609	0.5
108.08089	1.1
109.02885	2.7
116.98627	0.3
119.08563	0.4
121.06509	4.8
123.08023	0.6
127.03920	5.0
127.88554	0.3
131.08580	0.4
132.72610	0.3
136.03934	3.0
136.07593	2.5
137.06000	0.3
145.04970	4.7
145.07561	0.4
148.03886	1.0
148.71983	0.3
151.07550	4.0
151.11227	0.4
167.05545	0.8
167.06941	0.5
173.07117	4.7
182.04517	0.3
191.10751	0.6
200.10751	0.8
210.09146	2.0
228.10191	0.8
237.10301	0.3
238.08621	0.8
241.07292	0.6
256.09698	52.8
257.09998	1.6
265.09644	0.4
266.10568	0.5
268.08426	0.4
283.10791	100.0
284.05551	0.7
284.11066	2.5
304.75897	0.3
318.73590	0.3
359.02786	1.1
445.17746	0.3
445.26135	0.4
445.33557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01863	3.6
55.05509	14.5
57.03429	1.6
67.05504	20.2
69.03427	1.2
69.07062	9.3
70.06635	1.0
71.01376	2.0
71.04993	1.7
71.57915	1.3
78.29145	1.0
79.05499	15.3
81.03423	5.3
81.07052	19.2
83.04983	5.4
83.08624	15.0
85.06541	1.8
89.02387	4.1
89.63924	1.1
91.05478	19.0
93.07038	17.0
95.04968	22.4
95.05557	1.9
95.08614	13.7
97.06536	4.2
97.10170	4.8
105.07031	20.7
107.04977	5.6
107.08593	15.4
109.06506	4.2
109.10169	6.3
111.08105	5.0
117.07024	8.4
118.11837	1.0
119.08585	19.2
121.06505	4.6
121.10126	10.9
123.08058	3.8
125.09613	5.1
129.06999	3.1
131.08571	10.0
133.10124	18.4
135.08075	5.3
135.11697	5.8
136.24832	1.0
137.09622	4.2
139.11166	1.6
141.07039	1.3
143.08591	1.5
145.10104	18.4
147.08089	2.7
147.11678	9.5
149.09641	18.5
151.11182	3.5
155.08553	1.8
157.10165	3.0
159.11725	6.7
161.09583	2.2
161.13258	2.4
163.11198	21.0
165.09241	1.4
165.12762	2.7
169.10185	2.2
171.11667	2.7
173.09619	3.3
173.13283	3.8
175.11224	2.2
177.12741	2.8
183.11687	2.8
187.11330	2.2
187.12863	1.0
189.11206	6.1
189.12715	1.9
189.21156	1.1
197.13245	1.6
205.12230	1.5
210.90076	1.0
213.16414	2.1
215.14374	1.6
215.17827	1.6
223.13281	24.2
229.19560	3.8
239.17973	9.3
247.20668	2.5
257.18997	13.4
275.20065	100.0
276.20438	3.9
293.17789	2.3
293.21118	46.7
294.21460	2.0
391.21179	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	444.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01873	2.3
55.05519	10.0
57.03428	2.7
65.03938	1.1
67.05510	20.8
68.93085	1.0
69.03419	2.5
69.07079	11.3
69.66203	2.7
69.66619	4.6
71.01347	2.2
71.04989	1.7
79.05058	1.8
79.05495	20.1
81.03411	3.9
81.07063	59.7
83.04975	3.5
83.08624	7.1
85.06528	2.0
91.05479	18.8
93.06548	1.3
93.07059	15.6
95.04973	7.6
95.08620	15.0
97.06534	4.0
97.10141	1.2
98.21477	1.9
99.08080	3.6
105.07043	19.7
106.78157	1.0
107.04948	8.0
107.08599	11.9
108.56178	1.1
109.05775	1.5
109.06525	21.7
109.10174	6.4
111.08077	3.0
117.07021	6.2
117.07736	0.9
119.08591	16.3
120.93371	0.9
121.06487	4.0
121.10155	8.1
123.04430	1.1
123.08063	6.4
123.11691	4.3
125.09593	2.0
127.07554	0.9
129.07010	3.5
131.08571	10.4
133.06459	1.7
133.10132	14.4
135.08047	4.2
135.11699	3.9
137.09636	3.7
137.13330	1.0
139.11256	1.0
143.08585	2.0
145.06503	1.0
145.10144	9.0
147.11693	14.9
149.09621	8.4
149.13269	4.3
151.11177	3.3
157.10146	5.9
159.08116	1.3
159.11679	7.3
161.09659	2.2
161.13261	2.1
163.11201	6.7
163.14775	1.2
165.12752	3.9
169.10208	1.3
171.11700	2.4
173.09671	1.3
173.13266	3.1
175.11232	3.9
177.12723	3.8
183.11626	1.5
189.12723	1.1
191.14314	1.2
193.12299	3.1
195.13754	1.1
201.12691	1.5
207.13904	1.1
223.13341	1.0
229.19547	2.2
239.17923	2.1
247.20636	2.4
257.19003	8.4
265.17636	0.9
275.20084	100.0
276.20364	3.0
293.21115	41.0
294.21622	1.0
311.22107	1.3
363.21814	7.9
387.91040	0.9
391.21106	4.0
409.22281	16.9
420.40811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
56.96554	0.4
57.03409	1.2
57.03681	0.4
57.79756	0.4
59.04985	0.7
61.02910	0.9
61.04126	0.3
61.46496	0.4
64.58221	0.3
65.27325	0.3
67.00479	0.4
67.05478	0.3
69.03433	3.9
69.07057	0.4
70.06571	1.2
70.66389	1.4
73.02906	0.7
81.03410	1.3
85.02907	8.3
86.09697	0.8
87.04462	0.5
89.19328	0.4
91.03941	0.4
97.02908	2.9
97.06510	0.5
99.04444	0.5
105.07061	0.5
109.02838	1.0
115.03909	0.7
121.02804	0.4
125.05975	0.6
127.03909	1.9
131.04880	0.6
135.08064	0.6
136.08475	0.6
137.06064	0.4
143.04843	0.4
145.04932	1.6
159.04376	0.5
171.04454	0.8
174.10162	0.4
183.04417	0.7
199.03969	1.6
211.03920	2.7
215.10583	0.4
227.03378	1.1
228.04205	1.6
233.11612	0.4
234.12267	0.5
237.14453	0.9
246.14896	3.5
246.65092	0.9
255.02901	100.0
256.03232	2.2
264.02936	9.7
282.03992	76.5
283.04346	1.6
323.87057	0.5
417.88510	0.5
444.14163	1.5
445.11307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05497	1.6
57.07067	1.4
62.72654	1.2
67.05484	1.6
69.03419	5.2
70.06590	2.2
71.25390	2.5
71.98874	1.3
72.08165	1.8
79.05507	2.1
81.03412	1.9
81.07057	2.6
83.04980	5.1
85.02895	4.1
85.06536	2.2
88.47224	1.5
89.06000	1.6
91.05434	2.5
93.07031	5.6
94.95156	1.5
95.08607	1.6
97.02891	3.5
98.80955	1.3
105.07013	4.1
107.08603	5.5
109.02878	6.0
109.06500	3.5
111.04462	3.3
117.07089	1.7
119.08572	4.8
121.06539	9.1
121.10117	2.2
131.08591	3.3
133.10124	4.5
135.08049	16.7
137.05956	3.0
137.09619	1.9
144.09346	2.4
145.10114	1.5
149.09612	6.3
150.10501	1.6
157.17455	1.5
159.08073	3.0
159.11679	6.8
163.07579	8.1
163.11206	2.1
167.07022	4.9
170.10869	3.1
172.08798	2.4
173.09644	4.9
173.13280	11.8
175.14819	2.3
186.10352	3.4
187.11180	25.1
191.07056	4.3
201.12761	21.9
203.14186	1.9
205.12271	7.7
209.08136	3.2
211.11095	2.6
219.13800	5.7
229.12228	24.7
247.13313	100.0
255.02928	3.0
265.14355	12.5
331.33197	1.6
462.34204	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05512	1.7
56.96576	1.4
57.03437	2.9
57.05803	0.7
58.06597	0.7
59.05005	0.7
59.06680	0.6
60.04522	0.9
60.05650	6.3
61.02936	0.9
67.05507	1.4
69.03427	3.9
69.07063	7.6
70.06599	21.1
70.65746	2.1
71.04999	11.4
71.06928	0.8
72.08143	1.7
72.67046	0.6
73.02920	1.7
81.03421	1.4
81.07069	1.9
83.04988	2.7
84.08125	0.7
84.96091	0.6
85.02913	16.7
86.09711	100.0
91.03941	0.7
91.05499	1.8
93.07063	1.3
95.04993	1.3
95.08612	1.0
97.02900	3.4
98.97596	4.5
105.07063	1.2
107.04971	0.9
107.08612	1.4
109.02896	1.3
109.10197	0.8
111.04418	0.8
111.08060	0.9
112.08738	4.1
113.07144	0.6
114.10294	1.0
115.08699	3.9
116.07100	7.2
116.98631	2.3
119.08604	1.0
120.08134	1.1
121.02898	1.6
121.10094	1.0
123.04473	0.7
124.07609	0.6
127.03919	2.5
128.10724	17.5
128.98631	0.8
129.05501	3.2
129.07037	0.7
130.05745	0.7
130.09781	2.9
133.10052	0.7
134.99681	1.7
135.04346	1.1
137.05983	1.5
137.09647	0.9
139.03886	0.8
140.68504	0.6
142.08661	0.8
145.04994	1.2
146.99673	0.7
147.04398	0.9
151.03943	0.9
153.05472	0.6
153.09087	1.3
156.10167	1.5
156.11353	7.9
158.09264	7.5
158.99699	0.8
161.01224	1.7
161.05887	0.8
167.07014	2.2
168.07451	0.6
173.13219	0.6
175.11920	18.8
177.00752	1.5
179.00224	1.1
179.03439	1.1
186.03656	1.0
189.00726	0.7
189.09067	0.6
191.14502	0.7
202.10829	0.9
209.01363	0.7
219.01735	1.7
224.08957	1.6
227.02237	4.9
237.02861	2.0
242.10274	0.8
245.03416	1.4
245.15381	0.8
250.06001	3.5
254.14973	1.0
259.06546	7.9
263.16376	1.2
265.11172	1.2
269.03342	1.1
269.18457	0.9
270.57379	2.9
271.17712	6.5
281.17477	0.9
283.12207	1.0
288.20193	1.1
307.12225	1.2
323.09573	1.1
325.13248	1.0
339.04074	1.0
344.27332	0.6
353.05984	0.8
353.59393	0.7
427.16724	1.0
443.19571	7.6
443.29803	99.8
444.30264	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2025
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
55.01855	0.6
55.99356	0.6
56.96551	0.7
57.03423	2.1
61.02908	1.5
69.03439	7.4
69.49181	4.0
69.49596	1.0
69.80396	0.5
70.06583	2.2
71.04987	1.2
73.02914	1.6
74.06079	0.8
81.03413	2.2
84.04534	0.6
85.02909	6.5
87.04454	1.9
95.04952	1.3
97.02917	3.7
98.21448	1.1
98.97590	1.0
99.04457	1.8
101.02423	0.6
105.07002	0.8
107.04937	0.7
107.48930	0.5
109.02867	1.8
111.64911	0.6
116.07103	0.8
122.06055	0.6
123.04464	0.7
127.03915	1.9
128.28708	0.6
132.04443	1.7
135.04446	0.7
137.02342	1.0
137.05959	0.9
139.03935	2.2
144.06548	0.7
145.04996	1.1
146.08401	2.3
147.04436	1.3
147.09178	62.9
148.06232	0.8
148.09532	1.5
159.09167	1.5
161.06004	0.8
163.03929	2.2
167.07144	1.3
189.10262	1.4
199.63133	0.6
217.13391	1.0
219.11363	1.4
255.10161	0.6
263.14005	2.0
264.08786	0.7
275.05460	0.7
281.14978	48.7
282.15359	1.8
360.99890	0.7
368.60773	0.7
383.11591	1.0
443.15640	5.0
443.20306	100.0
444.15533	1.5
444.21201	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
54.93230	1.5
55.01863	5.1
55.05264	2.1
55.05516	34.1
56.96551	3.3
57.03445	8.3
59.05000	9.7
61.02919	7.2
67.05487	6.3
69.03433	26.6
69.07056	3.7
69.89644	9.8
70.06595	6.1
71.05009	4.3
73.02917	5.3
79.05495	9.7
81.03436	14.4
81.07064	15.5
83.04987	47.0
84.08139	3.6
85.02909	69.9
85.06550	6.0
87.04435	4.7
90.69041	1.9
91.03983	3.3
91.05502	13.2
93.07055	12.5
95.04967	17.5
95.08604	5.7
97.02911	21.1
97.06543	2.9
98.21371	2.2
98.97581	2.2
99.04458	5.0
101.06026	28.5
102.81759	1.8
103.42956	1.6
105.07046	17.1
107.04941	3.7
107.08607	16.7
109.02899	11.2
109.06527	11.4
109.10136	5.9
111.04427	1.9
116.98590	2.6
117.07005	8.2
119.04916	3.6
119.08590	23.2
121.06527	6.2
121.10152	18.1
123.04399	2.9
123.08080	6.0
125.05982	5.8
127.03914	14.4
129.07025	4.8
130.04970	2.0
131.04852	1.7
131.08568	6.3
133.06482	2.9
133.10162	14.1
135.08043	8.0
135.11705	5.3
136.07588	2.5
137.05963	6.5
137.09618	4.3
139.03894	4.9
141.05618	2.1
143.08557	7.5
145.04942	11.0
145.06496	4.7
145.10109	17.0
147.04416	3.4
147.08058	23.8
149.06087	1.8
149.09616	3.1
151.07576	3.0
153.01770	2.2
156.06415	2.0
157.10144	3.3
159.08017	8.1
159.11693	5.2
161.09621	15.1
161.13272	2.6
163.03897	6.0
163.07555	3.5
163.11201	100.0
165.09146	4.7
171.11610	2.3
175.14845	2.6
177.09138	14.4
179.10672	7.5
181.08740	2.9
181.12227	42.9
185.09644	2.2
185.13289	4.8
187.11139	4.3
189.09138	6.8
199.14740	3.4
203.14299	6.1
205.12222	4.9
207.10211	21.5
227.14354	5.2
233.15332	5.2
234.98952	4.8
237.02673	2.3
245.15399	24.5
263.14102	3.0
263.16437	63.8
263.19284	3.0
270.99234	1.8
280.97534	1.9
281.10309	2.3
281.17505	38.0
298.98495	4.9
307.15271	1.9
346.03769	4.2
364.04810	5.4
425.01935	3.1
425.21677	4.9
443.17804	24.5
443.22772	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
53.83283	0.7
54.03467	2.8
55.01348	0.8
55.01852	0.8
55.04241	2.2
56.96563	0.8
61.02906	2.0
63.62783	0.7
66.67570	0.7
69.03430	3.2
69.74495	5.5
70.06568	1.3
70.14594	0.7
75.05621	1.0
80.05005	1.7
81.03439	1.2
81.04544	18.5
82.05331	7.4
83.06055	0.8
85.02901	9.0
85.06560	1.6
95.04996	1.3
97.02899	4.9
98.97575	1.7
101.06009	3.3
101.07067	0.9
102.06315	1.5
103.07585	1.2
109.02917	1.2
116.98615	1.6
122.07155	95.9
123.04434	3.0
123.07941	85.8
127.03912	2.2
128.98672	1.1
131.07065	0.9
132.04440	7.5
133.04828	0.8
137.05989	1.6
139.03914	2.2
143.86028	0.9
145.04961	3.6
148.03947	3.4
160.04285	1.7
164.08273	0.9
165.07735	4.4
172.04288	2.4
175.11975	0.9
219.01776	1.5
237.02855	1.1
245.10327	1.2
246.10628	1.3
281.10675	61.5
282.11118	1.9
295.39853	0.7
384.02759	1.2
443.15958	100.0
444.16367	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.05511	1.3
57.03434	1.1
58.17971	0.7
60.42628	0.7
61.02922	1.1
66.26192	0.8
67.05532	0.8
68.05033	0.8
69.03443	1.9
69.56130	5.8
70.06597	100.0
71.04995	1.3
72.08177	0.8
81.03433	2.7
81.07056	1.3
83.08631	1.8
85.02906	6.9
86.09705	1.4
87.04482	0.9
91.05511	3.1
95.08619	1.4
97.02905	2.6
98.97650	0.7
101.09693	1.8
105.07071	0.9
107.08549	0.8
109.02882	6.3
111.04483	1.5
112.07614	86.3
116.07101	2.1
116.98608	0.8
120.08131	1.0
122.86478	0.7
127.03890	1.8
137.19574	0.7
140.07079	49.0
141.05521	1.1
145.05017	1.9
153.05545	0.7
158.08139	9.0
177.05539	2.0
193.08621	1.1
194.77055	0.7
200.09274	2.3
203.06946	1.1
219.01965	0.9
228.13530	1.0
231.06589	3.2
237.03088	0.8
242.10332	3.3
266.10345	2.7
267.87613	0.9
280.13879	0.9
284.11298	4.3
302.12234	1.1
303.18033	0.8
307.38327	0.9
442.16623	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	441.2638
Annotation	(7E,13Z,18R,20Z)-Felixinin
Peak:m/z	Relative Intensity
53.03946	0.7
55.05508	1.6
56.46864	0.6
56.96576	0.9
59.99147	0.7
67.05500	4.1
68.99767	1.3
69.07060	1.6
70.06583	1.1
79.05483	3.0
81.03424	3.7
81.07063	6.3
81.59682	0.8
91.05491	3.2
92.93706	0.7
93.07049	1.4
95.04947	1.7
95.08592	2.4
98.21529	1.4
104.42352	0.7
105.07021	1.3
107.04958	1.5
107.08578	1.7
109.06525	6.2
109.10146	1.5
111.04459	1.8
121.06474	1.1
121.10119	1.0
121.63271	0.8
123.04430	12.7
125.05995	1.5
127.03926	8.0
135.07954	0.7
137.00711	0.8
137.02359	25.7
137.05984	100.0
138.06271	1.3
147.04416	1.6
147.08034	0.8
149.05994	3.1
149.09654	1.1
151.03889	1.5
151.07571	2.5
161.06012	3.0
163.03951	1.2
163.07582	5.3
165.05435	1.0
175.07632	1.7
177.09135	6.7
189.09088	2.7
191.10739	1.9
203.10727	2.5
217.12314	1.0
241.11299	0.8
259.12280	1.9
265.17853	0.8
284.02896	0.7
285.67200	0.8
351.18402	1.2
369.19553	2.5
423.25360	7.8
441.26385	31.8
463.64493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3002
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
50.77143	0.2
52.57045	0.2
53.03936	0.3
55.01869	0.5
55.05514	1.3
57.07067	0.3
62.76473	0.2
65.03930	0.4
67.05505	3.0
68.99796	0.6
69.07067	1.2
71.08609	0.2
71.61314	0.1
79.05479	0.4
81.04615	0.2
81.07053	1.2
83.08640	0.5
88.69708	0.2
88.98367	0.2
91.05466	0.4
93.07033	0.4
95.04980	3.0
95.08607	0.7
97.10178	0.3
105.07023	0.4
107.04964	0.3
107.08614	0.2
109.06509	0.6
109.10184	0.3
111.04465	0.8
112.07780	0.2
119.86764	0.2
121.06503	0.5
123.04433	100.0
124.04768	0.8
137.05981	3.0
149.05995	4.1
151.07516	0.6
153.54453	0.2
163.07541	2.3
165.09207	0.3
177.09261	0.3
193.12201	0.2
207.13838	0.3
319.26251	0.3
331.26321	0.4
373.37720	0.2
441.30038	27.5
442.30438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
50.36773	0.2
56.81635	0.2
56.96569	0.3
57.03448	0.4
61.02925	0.7
61.78321	0.2
66.00829	0.3
69.03417	0.6
70.06587	1.0
70.07503	0.2
70.89478	0.5
70.89812	0.4
71.05003	0.3
71.69125	0.2
75.58366	0.2
81.03411	0.4
83.01111	0.5
84.01877	0.4
85.02917	1.8
86.09712	0.8
91.03946	0.4
91.05482	0.5
93.03426	0.3
95.01103	1.9
96.01864	0.7
97.02919	0.6
98.97629	0.3
103.27602	0.3
107.04994	0.4
109.02872	0.7
112.01360	0.6
113.02151	1.9
116.98672	0.3
120.08112	0.4
121.02871	0.4
124.07577	0.4
126.02950	0.3
127.03870	0.6
131.05008	0.4
133.06506	0.4
135.04439	0.7
137.06018	0.4
139.03873	0.4
145.06580	0.3
147.04419	0.6
149.77472	0.2
153.01868	0.4
157.04741	0.5
159.04442	0.4
161.06030	0.7
163.03891	0.3
166.91087	0.3
167.03339	0.2
173.05984	0.4
177.05486	0.4
185.04214	2.8
185.05833	0.3
187.04001	0.3
189.01938	0.4
189.05269	0.4
195.02951	0.3
201.03737	1.1
201.05450	0.4
203.05298	0.5
204.07578	2.3
205.08273	0.3
207.03021	0.3
207.11273	0.5
215.03545	0.3
219.03029	0.4
223.02289	0.6
225.04022	0.5
229.05046	0.6
231.02873	0.4
237.02823	0.3
249.04042	0.3
252.08354	0.4
257.04608	0.4
259.07990	1.0
261.04010	0.7
273.03979	1.0
279.12976	0.6
285.03873	1.9
291.05139	0.5
303.05115	0.5
309.07352	0.3
321.06110	0.8
326.17252	0.3
327.08539	0.5
345.06473	0.3
352.09506	0.3
363.07001	1.6
393.08990	0.9
405.08740	0.3
421.74045	0.3
423.09741	0.5
441.17368	100.0
442.17621	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	440.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68813	1.6
55.05491	2.5
56.96557	3.6
57.07076	59.4
59.05008	16.6
67.05505	4.4
69.07057	5.2
69.34862	20.3
71.08631	100.0
79.05475	5.3
81.07056	3.9
83.08614	2.9
85.10181	60.0
86.38294	1.8
87.04475	3.2
89.05466	4.0
89.06030	57.9
93.07047	2.0
95.04950	1.7
95.08577	2.5
100.85831	1.8
103.07563	4.9
107.07039	2.5
117.66243	1.9
119.08555	2.2
127.14796	6.6
130.08612	2.1
133.07646	3.8
133.08607	61.9
157.30058	1.7
177.11215	14.6
185.18983	9.2
221.13902	6.2
229.21626	7.2
239.14917	30.9
259.94125	1.8
274.72113	1.9
279.18167	3.3
283.17471	8.2
297.18970	5.1
308.71448	2.0
349.16919	5.2
350.17294	5.3
367.17679	3.0
368.18701	2.6
390.19669	4.3
402.27328	1.9
423.33127	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	441.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.7
69.03415	2.1
70.06592	2.2
75.54392	1.1
76.19109	1.4
84.96047	5.6
85.02903	1.8
93.63683	1.1
94.45839	1.1
95.09419	1.4
97.02883	1.1
98.97586	82.2
110.97572	20.0
116.07129	1.6
116.98630	51.9
116.99447	2.8
124.99210	1.6
128.98610	32.7
131.00215	1.6
131.96220	3.3
134.99670	21.5
139.03859	2.7
140.00230	1.2
140.98613	6.6
143.00162	12.1
145.01765	1.6
146.99663	21.9
149.01218	1.7
149.97290	1.7
152.00122	1.2
152.98589	3.9
153.00710	2.0
158.99660	28.5
161.01224	14.4
164.95909	1.2
165.00783	3.0
167.06987	1.2
170.99669	25.1
173.01358	2.4
173.97231	2.7
176.99149	2.2
177.00719	42.4
179.02412	1.9
182.99654	13.0
189.00714	38.2
191.02386	1.6
191.98270	1.6
195.01808	4.7
200.02356	3.1
201.00716	59.3
207.01759	7.3
212.02356	2.3
213.00766	5.1
219.01770	62.7
224.02400	2.2
229.21141	1.3
231.01833	6.4
236.98523	2.4
237.02840	23.1
242.03384	1.3
243.01782	22.1
249.02910	3.8
255.03836	1.9
261.02826	100.0
273.02902	5.8
279.03906	69.4
280.04184	2.3
284.04385	1.6
291.03876	21.9
297.05029	4.3
302.05505	4.5
303.03851	2.1
309.04907	3.3
321.04926	57.6
322.05203	1.5
333.04956	6.7
339.06073	1.7
351.06009	10.4
381.07162	6.7
399.08084	6.6
441.09125	39.9
441.14792	10.5
447.73959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01872	1.7
55.05511	7.7
56.05033	3.5
57.03447	0.4
61.02924	0.5
65.03941	0.5
67.05503	10.8
68.05865	0.3
69.01394	0.4
69.03425	0.8
69.07069	3.1
70.06590	0.7
71.04990	1.0
71.33748	0.7
79.05053	0.7
79.05492	7.8
81.03418	2.6
81.07059	10.1
83.04980	2.4
83.08622	6.8
84.04502	100.0
85.02911	3.3
85.04821	0.7
85.06549	0.6
91.05482	9.1
93.07040	7.6
95.04967	15.1
95.08607	6.9
97.02889	0.4
97.06555	1.8
97.10182	2.1
99.08054	0.4
101.06001	0.4
102.05539	33.1
105.07025	6.9
107.04946	3.7
107.08596	6.0
109.06499	1.7
109.10153	3.9
111.08092	1.8
117.07012	3.7
119.08578	7.6
121.06502	1.4
121.10152	4.3
123.08049	1.8
123.11716	0.6
125.09635	2.4
129.07007	1.2
130.05002	54.1
131.03378	0.5
131.05338	0.5
131.08563	4.2
133.10121	5.1
135.08035	1.7
135.11688	2.4
137.09645	1.4
139.11197	0.6
143.08546	1.0
143.10765	0.4
145.06577	0.5
145.10121	6.3
147.08035	1.1
147.11659	2.6
148.06041	88.7
149.09622	9.3
149.13268	0.7
151.11169	1.0
153.09058	0.4
155.08560	1.0
157.10114	1.0
159.11668	3.1
161.09663	0.6
161.13251	1.1
163.11176	10.3
165.12758	1.4
169.10094	0.7
171.07712	0.6
171.11711	0.6
173.09625	1.5
173.13237	1.2
175.11223	0.8
175.14818	0.7
177.12758	1.0
183.11723	1.0
187.11116	0.7
189.11215	2.6
191.10600	0.3
191.14212	0.4
197.13268	0.9
201.12744	0.4
205.12201	1.0
211.14784	0.5
215.17880	0.5
223.11127	0.8
223.13290	14.7
229.19495	1.0
239.17921	2.1
247.20576	0.5
254.17499	1.2
257.18991	4.3
275.20050	18.2
276.20227	0.4
293.21112	14.1
314.19504	0.8
359.22589	0.4
362.45471	0.4
440.26395	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	440.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.05518	3.5
56.05039	3.8
57.03439	0.8
60.93021	0.4
64.85235	0.4
65.03939	0.4
67.05507	6.2
69.03426	0.4
69.07069	2.8
70.51272	0.4
70.51608	1.4
79.05500	6.2
80.48592	0.4
81.03448	0.5
81.06577	1.0
81.07059	15.7
83.04974	0.6
83.08611	2.0
84.04509	100.0
85.04873	0.6
91.05484	4.6
93.07048	4.8
95.04970	2.1
95.08620	4.5
97.06530	1.3
97.10165	0.6
99.08088	0.5
99.52860	0.4
102.05548	6.9
105.07030	5.4
105.43633	0.4
107.04967	1.4
107.08616	2.6
109.06520	4.7
109.10163	2.6
111.08053	1.0
114.74165	0.4
117.07053	1.1
119.08586	4.6
121.06548	0.7
121.10162	2.8
123.08082	1.1
123.11714	1.4
125.09694	0.5
129.06999	0.4
130.05011	73.1
131.05359	0.6
131.08589	2.4
133.06564	0.4
133.10159	3.0
135.08069	1.0
135.11714	1.0
137.09662	0.8
145.10085	2.0
147.11702	4.1
148.06056	6.7
149.09613	1.4
149.13295	1.2
157.10130	0.8
159.11693	1.7
161.09564	0.6
161.13463	0.6
163.11209	1.5
165.12805	1.2
167.14296	0.6
171.11668	0.5
173.13306	1.0
175.11246	0.4
187.11166	0.5
193.12289	1.0
223.13361	0.7
229.19604	0.7
239.17987	0.6
247.20772	0.7
254.17480	0.6
257.19003	2.3
275.20084	20.0
293.21097	8.2
376.24872	1.3
394.25903	4.3
422.25366	0.9
440.26477	25.4
441.26724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
69.03419	1.0
69.07079	1.5
70.01848	0.6
70.06601	1.0
71.59798	1.0
81.03418	1.3
82.81260	0.6
85.02894	2.2
87.04445	0.8
91.05495	3.1
91.05999	0.6
95.04936	0.9
95.08566	0.6
95.74652	0.7
96.42638	0.6
97.02884	1.4
97.06509	3.3
103.05461	1.7
109.02863	1.0
111.11688	0.7
115.03948	1.5
116.05036	0.6
119.04928	2.0
119.08598	0.9
120.04478	2.8
123.04522	0.7
124.07594	1.3
127.03909	1.2
129.03401	1.6
129.04346	0.8
130.02907	8.1
132.04489	0.8
133.04959	1.1
137.02348	46.9
139.05396	0.7
140.44037	0.7
144.04445	1.5
145.04890	0.8
146.06003	4.9
147.04416	1.6
156.04442	7.5
156.38518	0.8
161.39091	0.7
162.01868	3.4
163.07590	0.7
167.07063	2.4
172.03914	1.8
174.05519	2.4
180.07997	0.9
182.05998	1.0
187.08702	0.8
190.04970	1.1
190.06487	1.6
192.08150	1.1
197.07082	1.0
200.03410	11.2
208.07597	2.0
209.07080	3.7
212.07106	1.2
218.06026	1.0
220.07651	1.0
236.07060	5.3
237.07991	1.1
238.08685	1.3
239.08157	1.3
245.07065	1.3
246.05580	1.9
254.08124	7.9
262.08572	1.5
263.08167	3.3
264.06570	25.1
265.06067	32.3
266.08090	2.4
268.07278	1.1
273.06516	1.1
275.08151	1.1
281.09195	2.9
282.07544	1.3
283.07068	2.4
291.07596	4.3
292.05981	1.8
292.11008	1.4
293.09280	0.8
305.09250	0.8
308.10059	2.6
310.07101	100.0
311.07513	2.8
318.08810	1.8
319.07220	8.6
334.11984	1.1
336.09787	6.4
337.08185	49.0
338.08585	1.5
350.11255	2.2
351.09778	5.1
367.09021	1.2
369.10809	1.2
378.10663	4.0
396.11710	0.9
396.23013	1.1
413.09988	1.2
422.09586	1.0
440.11011	3.3
440.23584	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	439.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19186	0.6
55.01857	1.4
55.05507	3.2
65.03932	0.8
67.05505	8.3
67.55119	0.8
68.99797	7.4
69.07063	2.1
70.20064	2.6
70.20457	1.7
71.08604	0.7
73.02895	0.9
79.05483	2.7
81.07056	7.6
83.08614	1.7
89.06042	1.2
91.05478	2.6
93.07051	3.6
95.04965	5.1
95.08619	7.6
97.02876	0.8
97.10184	1.2
105.07009	1.7
107.04965	7.9
107.08572	1.9
109.06494	1.2
109.10154	3.6
110.16622	0.7
110.95899	0.7
111.04442	1.0
119.08540	0.9
121.06502	3.6
121.10120	1.4
123.04437	84.5
134.12758	0.7
135.08061	10.1
137.05963	6.5
145.70308	0.8
148.05115	1.2
149.05992	35.0
149.09615	2.2
154.37799	0.7
162.06786	1.0
163.07550	100.0
164.07893	1.3
170.97496	0.8
177.09117	54.5
178.09358	1.0
189.22620	0.8
191.10666	7.6
229.51915	0.8
269.10629	1.4
287.11469	1.0
297.24652	0.7
349.16745	1.9
367.17807	1.4
439.28464	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	439.1422
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
52.48817	0.4
53.99025	0.4
69.95698	1.1
69.96100	1.7
70.58131	0.4
80.59402	0.5
91.62318	0.5
96.92225	1.6
141.86223	0.4
175.04573	0.5
185.04253	0.6
186.94145	0.5
190.27461	0.5
277.08942	31.5
278.09436	0.6
347.09573	0.6
365.10748	0.8
366.45605	0.5
366.49646	0.6
439.14246	100.0
440.14606	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	439.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01867	0.4
57.03440	0.9
61.02933	0.5
69.03438	2.2
69.07077	0.7
70.06610	1.9
71.05003	0.7
71.59116	0.7
72.08172	0.6
73.02870	0.4
79.05519	0.7
81.03417	2.1
81.07064	0.7
83.04955	0.4
84.30359	0.4
85.02909	1.3
86.06074	100.0
86.09670	0.5
87.04466	1.1
87.06410	0.4
91.05495	0.7
93.07067	0.5
95.04979	1.5
95.08608	0.8
97.02896	1.5
97.06544	0.4
98.06026	0.4
98.97597	0.6
99.04455	0.5
105.07092	0.4
107.05016	0.4
107.11211	0.4
109.02888	5.8
111.04491	0.8
116.98653	0.5
119.08626	0.5
120.08113	0.6
123.04471	1.9
124.03975	1.2
124.07591	0.4
127.03951	3.1
128.07095	14.3
129.92055	0.4
132.04465	4.2
135.04459	0.4
137.02318	0.4
139.03922	2.4
140.04408	0.6
145.04996	1.4
146.08133	7.8
151.03952	0.9
153.01837	0.9
163.04082	0.3
167.07053	0.9
171.06586	0.7
172.06938	0.5
177.05630	0.5
179.69637	0.4
181.04892	0.4
183.06654	1.2
194.08183	0.8
223.16991	0.6
227.20680	0.5
240.96254	0.4
252.09573	0.5
254.10312	2.9
260.15091	1.0
261.09988	0.5
269.08640	0.6
272.11322	5.2
272.14063	0.5
277.06906	0.4
290.12469	3.5
362.48343	0.4
401.73639	0.4
439.15561	2.8
439.24011	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64846	5.1
53.03936	10.3
55.05502	26.8
57.03434	9.1
57.07075	7.8
59.04997	9.1
60.08058	5.9
65.03932	7.1
67.05503	99.5
69.03400	15.1
69.07063	23.6
70.06574	9.4
71.04990	9.4
71.60249	9.0
79.05498	36.9
81.03413	25.0
81.07066	66.9
83.04987	15.1
83.08623	26.1
84.04504	15.5
85.02908	24.3
85.06554	11.4
91.05472	35.0
93.07064	39.7
95.04967	19.9
95.08630	33.4
97.06530	8.9
97.10144	7.6
100.74570	7.2
105.07043	37.9
107.04951	10.0
107.08570	38.8
109.10165	85.8
113.09698	6.9
117.07041	6.2
119.08576	41.3
121.06497	6.9
121.10128	34.5
123.11716	9.3
125.09605	12.6
126.42747	6.5
130.05026	6.4
131.08572	13.7
133.10120	45.3
135.11674	10.3
137.05998	9.7
137.09590	35.4
143.08606	8.1
145.10146	11.4
147.11717	16.0
149.09633	17.9
151.11220	13.7
157.10144	9.3
159.11711	9.7
161.09592	6.2
161.13310	6.5
163.11209	9.1
165.12817	6.7
173.11748	22.0
175.11151	10.1
175.14827	16.6
193.12257	29.8
201.16400	13.7
203.14374	12.2
211.13339	34.7
229.14246	16.1
259.20612	31.4
267.15927	8.5
277.18124	9.2
277.21603	100.0
421.25882	14.3
439.27435	81.8
439.35690	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	438.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01867	8.4
55.05516	23.6
56.57136	3.6
60.05651	5.6
66.09018	3.9
67.05509	40.3
69.03426	7.3
69.07077	23.2
70.06571	6.0
70.36263	4.4
71.60947	3.8
79.05496	51.6
81.03384	5.0
81.07066	52.1
83.04969	10.5
83.08618	6.5
86.06074	23.8
87.04482	24.8
91.05482	51.6
93.07043	48.5
95.04963	22.5
95.08602	28.3
97.06532	6.3
104.07085	5.2
105.07035	40.0
107.04967	19.2
107.08591	25.2
109.06490	7.9
109.10161	14.7
115.05449	8.4
117.07011	17.5
119.08587	20.4
121.06507	24.4
121.10145	15.6
123.04428	6.5
123.08083	9.3
128.06192	4.8
129.06978	15.2
131.08569	43.3
133.06490	10.1
133.10104	22.1
135.08035	6.9
135.11710	10.2
137.48137	3.6
141.07011	4.6
143.08554	15.5
145.06511	5.1
145.10100	23.0
146.09244	51.8
147.08049	8.7
147.11705	10.5
149.02347	10.5
149.09604	14.5
153.08998	5.4
157.10132	7.4
159.11711	9.1
161.06003	6.5
161.09651	10.0
161.13245	4.6
163.03934	5.5
163.11165	28.9
171.11731	6.2
177.05463	5.8
177.12788	9.3
186.05324	5.2
187.07475	6.9
189.12750	4.8
193.04944	9.1
193.26648	4.1
202.04974	23.1
207.43864	4.4
228.23207	5.1
237.07611	11.6
239.37090	4.0
266.25244	4.1
273.18558	11.1
291.19696	4.2
305.18225	5.2
349.14041	4.1
352.15161	5.6
364.15393	8.4
374.21152	4.6
376.19159	29.5
392.22052	9.1
393.31042	12.3
402.20490	31.3
420.21661	68.6
438.23538	9.7
438.29642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2279
Annotation	Decaline
Peak:m/z	Relative Intensity
52.42543	1.6
55.01872	2.7
55.05505	7.0
56.96557	2.5
57.03428	2.0
57.07069	3.1
65.03938	3.6
67.05505	16.9
69.03447	1.5
69.07079	7.7
69.75663	10.4
70.06599	10.7
75.90454	1.5
79.05497	10.1
80.52721	1.5
81.03413	3.7
81.07064	18.0
83.04966	1.9
83.08627	4.2
85.02919	2.2
85.10178	1.9
86.09722	3.7
91.05483	6.4
93.07047	6.3
95.04993	2.8
95.08611	11.0
97.02897	2.6
97.10155	1.8
102.76182	1.6
105.07051	4.0
105.31479	1.8
107.08595	5.1
109.10172	8.6
111.08097	1.6
119.08620	3.3
121.02872	1.8
121.10174	2.4
121.35620	1.7
123.04551	1.5
125.09650	1.5
131.08585	2.7
132.10214	6.6
133.10217	1.8
135.11668	3.8
137.09567	1.8
139.03891	2.1
145.10150	1.9
146.11789	5.3
149.02351	72.3
149.99721	1.9
152.03860	1.4
153.06882	2.0
153.12697	1.8
161.06029	2.0
166.06581	3.1
167.08611	1.5
172.03937	11.8
173.06012	3.7
178.80843	1.6
181.06435	2.9
182.02390	1.8
184.07640	1.5
186.05524	7.3
189.11263	1.6
193.04979	95.6
194.05948	1.8
197.05997	3.8
198.05556	4.9
199.07568	2.4
200.03520	4.1
201.05510	1.9
201.16457	1.9
211.07564	4.0
212.07018	11.3
213.05518	6.4
213.07524	2.3
214.06244	4.5
224.07164	2.6
226.04996	4.1
226.08659	3.0
227.07048	4.0
234.08946	2.4
235.46213	1.8
238.05013	3.2
240.06613	6.5
241.07365	2.1
250.08527	2.3
252.06567	4.0
252.10170	2.5
254.08258	2.3
254.11827	1.9
266.08121	2.8
266.11765	1.8
272.25854	26.6
277.15619	1.7
281.11917	1.7
294.11353	3.6
308.12808	2.0
310.14352	4.3
322.14490	2.6
343.15381	11.0
364.23007	1.9
365.21228	4.7
369.15799	3.5
376.24875	3.2
384.22623	1.6
392.22324	12.8
393.20602	11.9
402.20480	4.2
411.21692	61.4
412.22031	2.1
420.21515	16.3
429.01547	1.9
438.23050	7.2
438.28568	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43475	2.3
53.03940	5.2
53.33770	2.6
55.01871	7.3
55.05508	33.2
57.03431	2.3
57.07082	3.0
65.03935	5.2
66.29582	2.3
67.05505	50.5
67.47936	2.5
69.03436	17.3
69.07070	18.1
69.07387	3.6
71.04974	4.3
79.05489	50.8
81.03416	12.1
81.07059	69.7
82.07380	6.7
83.04982	14.1
83.08629	18.3
85.02887	3.5
85.06511	4.4
91.05476	58.1
92.05824	3.9
93.07043	62.6
95.04362	5.5
95.04971	100.0
95.08609	38.4
97.02884	3.4
97.06509	6.8
97.10167	10.5
98.00546	2.5
99.04410	3.1
105.07029	55.4
107.04946	14.7
107.08596	35.5
109.02853	3.1
109.06534	17.6
109.10172	16.6
111.08075	3.6
115.05476	3.7
117.07023	27.9
119.04950	4.5
119.08582	43.7
120.08899	3.1
121.06522	16.2
121.10123	17.0
123.04403	5.2
123.08074	12.6
125.09621	7.9
127.03896	4.3
128.06252	4.0
129.07004	17.2
130.02795	3.0
131.08578	45.9
133.06485	6.6
133.10139	14.9
135.08060	15.7
135.11697	9.8
137.09648	13.0
141.07010	6.7
143.04941	3.4
143.08592	17.9
145.06512	6.5
145.10124	34.6
147.08052	25.5
147.11678	5.2
148.03940	6.9
149.02353	8.7
149.09604	17.8
149.13255	3.7
149.54536	2.4
150.70901	2.4
151.11198	5.4
155.08543	7.2
156.88046	2.3
157.10118	9.9
158.05972	3.5
159.08051	5.5
159.11714	13.9
160.03938	4.3
161.09567	14.2
161.13304	3.3
163.07565	4.3
163.11209	31.0
165.09177	8.0
165.12772	2.8
167.08556	4.0
169.08598	18.8
169.10135	7.3
171.11688	7.6
173.05991	2.9
173.09578	6.0
173.13239	3.2
174.05525	3.1
175.11237	6.3
177.12753	5.4
181.06578	2.5
181.10089	4.5
184.07481	3.0
185.09691	3.6
185.13249	7.0
187.11177	7.4
189.11261	5.6
189.12801	3.4
191.10670	2.6
191.14331	10.9
193.04964	16.4
195.08038	2.6
195.11652	4.9
196.07463	4.9
202.04950	2.9
205.12202	13.0
211.14928	3.5
213.12685	3.2
213.16249	3.8
220.07536	6.9
222.09134	6.4
223.11130	5.3
223.13287	82.3
227.17908	8.7
233.08372	3.5
234.09102	4.6
237.16408	6.4
245.19005	6.4
245.77666	2.6
248.10884	3.3
250.12253	8.4
255.17427	29.2
262.12149	2.6
268.13174	3.8
273.18500	93.5
275.20096	3.2
276.20471	9.4
291.16507	4.4
291.19580	71.1
292.13266	3.0
292.19940	2.5
294.11295	25.4
294.14441	5.1
304.13458	3.4
310.14322	2.9
338.17618	11.5
352.15405	5.1
374.21149	6.8
375.19370	3.7
378.20651	3.7
384.19586	6.9
392.22202	14.1
402.20575	67.0
420.21616	55.9
423.01761	2.9
438.22470	23.8
438.28311	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	438.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54899	4.2
53.03945	10.2
55.01867	12.3
55.05268	6.0
55.05515	100.0
56.96556	4.4
62.52457	3.8
67.05513	44.6
67.62124	4.3
69.03438	9.8
69.07058	29.6
71.15762	7.6
71.16080	5.6
79.05493	49.1
81.03413	12.0
81.07066	61.2
82.07382	5.4
83.04992	8.4
83.08621	63.2
91.05489	48.8
93.07061	30.4
95.04988	40.4
95.08631	25.5
97.10175	61.3
105.07038	33.6
107.04961	13.4
107.08602	31.2
109.10158	18.8
111.08072	12.4
112.52076	4.5
115.05524	6.6
117.07031	23.6
118.06509	4.5
119.04887	6.0
119.08583	28.5
121.06531	19.1
121.10149	14.4
123.04413	7.4
123.08064	23.4
125.09637	59.3
128.79614	4.8
129.07025	11.1
130.02870	11.3
130.06577	6.9
131.04947	12.3
131.08572	13.7
133.06456	11.9
133.10104	20.1
135.08064	16.5
135.11736	5.9
137.06055	6.0
141.07007	6.6
143.08600	8.5
145.10170	12.5
147.08044	16.6
147.11674	8.7
148.03844	7.0
149.09587	7.1
151.07585	7.3
156.04453	12.3
157.10106	9.2
158.05995	9.1
159.11720	9.2
161.09613	20.9
162.10320	4.7
163.07484	5.0
163.11217	30.9
169.06525	5.2
170.05995	18.7
175.11177	7.8
185.04692	15.2
186.05518	9.4
188.07089	4.6
189.11174	27.9
194.06059	8.4
197.04846	5.2
212.07022	12.7
222.05510	11.5
223.11305	4.9
223.13330	10.9
224.10669	7.2
240.06471	9.0
252.06584	7.1
255.17336	5.3
261.97632	5.5
268.13269	29.2
273.18515	31.4
291.19577	28.1
308.12866	5.5
322.14450	8.3
350.13763	17.5
351.14453	6.1
368.14938	75.1
370.16461	6.5
392.22128	20.0
420.21634	38.4
438.22495	35.6
438.27911	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	438.2278
Annotation	(+)-Megistophylline II
Peak:m/z	Relative Intensity
53.03944	5.7
55.01870	18.2
55.05513	100.0
57.03429	6.1
59.05003	4.9
65.03949	5.1
66.20911	5.4
67.05511	48.0
69.03420	9.8
69.07073	26.3
69.71891	30.6
78.94224	4.4
79.05493	49.0
81.03416	17.3
81.07059	75.1
83.04983	7.8
83.08621	93.7
85.02911	5.3
91.05486	53.0
93.07052	40.2
95.04977	36.3
95.08601	25.5
97.10173	67.0
97.65538	4.1
99.08026	4.1
103.05480	5.5
105.07038	33.1
107.04966	17.2
107.08598	38.2
109.06535	8.7
109.10171	13.8
111.08105	11.3
115.05476	8.5
117.07018	21.6
119.04939	5.6
119.08572	35.8
121.06535	19.0
121.10150	14.7
123.08066	26.8
125.09631	60.5
128.06245	5.1
129.05762	6.8
129.07002	14.0
130.02902	5.2
131.04927	14.8
131.08583	17.6
133.06564	8.9
133.10159	17.5
135.08070	17.8
141.09152	5.2
143.08592	8.5
145.06552	6.2
145.10126	14.2
146.05978	5.0
147.08049	18.4
147.11691	4.9
149.09648	6.1
151.07549	8.3
156.04428	11.9
157.10144	7.6
158.06012	8.1
159.11716	9.1
160.03981	6.6
161.05975	4.9
161.09648	24.6
162.10425	5.8
163.11215	29.2
170.05998	23.6
171.10222	5.6
171.11647	4.6
175.11203	9.8
185.04774	13.2
186.05576	7.1
189.11261	38.4
194.06007	8.0
196.07561	5.9
197.04742	6.3
200.07204	5.3
205.12250	5.4
212.07101	12.9
215.61610	4.2
222.05490	8.0
223.13422	11.9
224.03658	3.9
224.10704	4.3
240.06554	21.6
240.13881	7.2
250.12259	4.7
268.13235	33.9
273.18555	45.1
279.07373	4.3
291.19531	32.1
308.13086	5.4
322.14636	7.2
350.07745	4.2
350.13824	19.4
352.15280	6.5
368.14948	84.6
370.16467	8.3
392.22159	16.2
420.21759	44.7
438.22913	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2273
Annotation	Decaline
Peak:m/z	Relative Intensity
53.03937	1.7
55.01879	4.6
55.05297	0.5
55.05515	8.1
56.96561	0.7
57.03428	1.0
57.07067	0.5
58.36377	0.5
58.52125	0.4
63.56716	0.5
65.03935	2.0
67.05505	22.6
69.03420	2.0
69.07070	8.6
69.53028	4.4
71.01375	0.5
71.05002	3.0
79.05060	0.9
79.05493	14.1
81.03429	2.7
81.06574	1.1
81.07057	20.5
83.04988	3.2
83.08614	3.8
85.06538	1.5
91.05482	19.1
93.03420	0.7
93.07050	12.2
95.04964	5.6
95.08604	9.6
97.06516	1.6
97.10155	1.1
103.05470	2.4
104.04986	4.5
105.03386	0.7
105.07030	17.7
107.04948	4.8
107.08593	11.0
109.06525	5.0
109.10158	15.4
111.04447	1.6
111.08086	1.0
113.06007	0.6
115.05459	1.2
117.07020	6.1
119.04937	1.2
119.08576	7.8
121.06503	3.7
121.10145	3.4
123.04427	1.4
123.08083	1.3
123.11710	2.6
125.09618	0.7
127.07566	0.9
128.06175	1.1
129.07004	4.3
130.06555	1.3
130.07758	1.0
131.04955	1.1
131.08574	9.4
132.04448	16.1
133.06502	3.6
133.10132	13.2
135.08066	2.2
135.11707	2.1
137.02353	0.6
137.06006	0.7
137.09633	1.5
139.03897	1.1
142.07735	0.7
143.07538	0.8
143.08508	3.2
144.05663	0.7
144.09340	0.6
145.06471	3.0
145.10112	5.1
146.06021	4.4
146.07176	1.0
146.10915	1.7
147.08040	3.8
147.11723	2.4
148.03915	2.9
149.02379	1.1
149.05971	0.7
149.09660	3.1
151.11203	3.3
155.08514	1.0
156.04419	1.6
156.08212	0.5
157.06487	1.6
157.10135	2.6
158.06030	8.1
158.07291	1.1
158.09631	0.8
159.08080	3.6
159.11676	2.8
160.03949	4.6
161.05975	0.7
161.09612	3.7
161.13210	0.8
163.03882	0.9
163.07570	0.7
163.11174	2.6
169.10167	1.0
170.06009	11.1
170.07446	0.7
171.08057	1.3
171.11700	1.6
172.03926	2.3
172.07596	2.2
173.06015	0.6
173.09630	2.1
173.13232	0.6
174.05492	1.1
175.07593	0.8
175.11223	1.6
176.03363	1.3
181.06479	0.6
184.07584	2.0
185.04666	0.6
185.09633	0.9
185.13318	1.2
186.05542	1.2
186.09158	3.5
187.07530	0.8
187.11179	1.0
189.05553	0.7
189.12764	0.7
195.11690	0.7
196.07541	1.2
198.09152	2.3
199.11147	1.0
199.14990	0.8
202.04999	1.4
212.07228	0.7
212.10738	1.0
213.05495	0.7
214.08687	0.5
227.18044	1.0
228.06525	0.6
231.17470	0.7
235.13271	0.7
240.06618	1.6
245.19028	1.3
254.08220	1.2
254.15491	1.4
255.13846	0.7
255.17493	1.1
261.18576	0.5
263.20163	0.6
264.13971	0.9
271.17010	1.4
272.17569	0.5
273.18439	5.7
274.19272	2.0
282.14886	3.8
284.12796	0.6
291.19501	3.0
296.12881	0.7
297.14816	0.8
298.14749	0.5
300.15936	0.6
325.14291	0.7
343.15567	0.9
352.15558	1.4
365.21112	1.0
370.16479	1.1
375.19705	0.6
392.22168	1.1
393.20615	2.1
394.20273	0.8
402.20755	1.3
411.21652	11.3
420.21649	9.0
433.80820	0.6
438.22778	100.0
439.23053	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	438.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
56.96573	0.3
67.05518	0.3
67.89738	0.3
68.05016	0.7
69.03443	1.8
70.06593	0.4
71.04999	0.4
71.59686	0.5
79.01855	0.5
80.05014	1.1
81.03424	5.5
81.07088	0.6
83.04973	0.3
85.02908	3.2
91.05479	0.4
95.01340	2.4
97.02894	3.1
97.07641	0.4
99.04469	1.1
99.85651	0.3
106.02959	0.4
107.04967	0.4
107.08601	0.5
108.04482	2.4
109.02885	8.9
110.06043	1.1
119.08543	0.4
121.34087	0.3
123.08123	0.5
124.03967	0.9
126.05503	2.3
127.03932	2.9
129.07027	0.4
130.05003	0.3
136.03946	100.0
137.04276	0.7
137.05983	0.5
139.03862	0.4
141.04422	0.4
141.05461	1.9
154.05000	45.6
155.05362	0.4
200.28824	0.3
207.06514	0.4
209.15378	0.6
214.16124	0.3
268.08240	0.4
280.08170	14.7
298.09235	9.5
298.12570	0.5
438.14099	3.9
460.80356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2667
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05272	1.4
55.05516	22.1
55.63822	1.3
57.03439	9.4
57.07081	9.1
67.05182	1.3
67.05512	18.0
69.07072	24.4
70.20242	3.6
70.20623	2.1
71.04982	1.7
71.08620	3.3
79.05505	7.7
81.07058	24.7
83.04974	1.4
83.08627	20.8
83.27699	1.1
85.10176	3.0
89.69930	1.3
91.05517	1.2
93.07057	8.9
95.08610	21.7
97.06512	3.3
97.10190	12.2
98.98476	42.0
107.08608	6.3
109.10178	8.6
111.08131	2.6
111.11708	3.3
121.10159	6.2
123.11747	3.0
128.32793	1.4
135.11693	8.9
143.28052	1.3
149.13298	3.6
155.01048	34.3
159.11584	1.2
173.02126	4.5
177.16527	1.5
241.09671	1.3
247.24275	5.5
265.25311	14.2
339.28970	100.0
340.29303	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	438.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.05498	3.0
56.96557	1.5
57.40762	1.2
65.03927	1.8
67.01865	2.8
67.05505	3.4
68.99799	3.5
69.03429	5.2
69.07082	1.9
70.06605	7.9
70.97487	2.2
70.97783	1.5
71.04992	4.6
72.08151	11.5
73.08486	1.9
74.00629	1.7
77.03879	1.8
77.30938	1.4
79.05476	3.5
81.03410	3.0
81.07060	3.9
83.04945	1.4
84.04523	1.4
85.02911	8.0
86.09715	4.5
88.03969	1.6
91.05492	1.8
93.07049	2.2
95.04972	10.9
95.08612	5.0
97.02893	4.7
97.06550	1.7
98.06023	1.9
105.03365	3.6
107.04947	5.4
107.08589	3.0
109.02852	3.6
109.06528	1.6
111.00809	4.7
111.02671	2.2
111.04445	5.7
114.10322	9.9
118.04189	1.5
119.08598	1.8
120.08102	15.4
121.02881	7.7
121.08437	5.6
121.10145	5.9
123.04422	4.0
124.07565	3.5
124.64774	1.4
125.06036	1.8
126.05515	1.4
127.03927	5.6
129.05383	1.8
130.12283	3.0
131.08179	1.7
132.10211	2.4
133.02855	26.2
134.99742	1.5
135.04378	4.4
136.05211	1.7
136.06174	4.2
137.00516	3.2
137.05981	7.5
139.02124	4.9
139.03896	7.0
144.06665	1.9
147.04332	1.6
149.00571	2.3
149.02354	28.0
149.06032	1.9
151.02129	7.6
151.03906	16.0
153.01833	100.0
154.97984	20.3
155.01697	1.9
164.04613	2.7
165.00073	4.4
165.05482	15.6
166.06264	41.4
167.01636	26.8
167.03387	8.4
167.07022	3.0
169.03198	3.4
171.02855	7.8
172.98990	3.1
177.01895	2.5
177.16409	9.5
178.00786	2.0
178.70908	1.6
179.01631	4.9
182.97498	6.1
183.01143	3.7
183.98297	2.0
184.99103	2.5
187.03839	1.4
188.99966	1.7
191.01610	2.2
193.03259	7.5
193.04814	2.2
195.01135	3.6
195.02896	9.4
195.17529	1.9
197.02666	7.2
198.03429	2.4
200.98532	14.4
201.05396	2.8
203.13896	3.5
207.11314	1.5
208.11685	1.5
209.02638	3.7
212.20103	2.0
213.05542	3.8
213.18520	3.6
217.03146	1.3
217.09856	1.6
218.00270	2.7
219.00981	3.2
221.02763	3.2
223.00571	2.0
223.04413	1.9
229.05035	7.0
232.01836	1.9
233.02713	13.4
241.05045	3.0
242.05835	2.2
242.08350	1.4
243.01024	2.6
245.02760	4.2
245.99547	1.4
247.00604	7.7
248.01338	4.4
257.04446	6.0
261.02191	17.6
263.03778	8.4
265.01343	2.0
269.04672	2.0
270.07773	2.3
271.00613	4.9
275.03806	15.6
276.12372	2.8
276.21625	2.3
286.07416	7.4
289.01715	5.2
289.13480	1.8
293.04761	1.9
297.02170	3.8
303.03171	18.1
317.01175	1.7
322.23407	1.9
329.04825	1.7
331.02728	23.5
349.03781	94.3
350.04092	2.5
357.04388	8.7
367.04865	34.2
375.05368	16.0
385.03812	6.8
392.07935	2.8
403.04944	7.5
415.21942	2.5
421.05875	45.2
438.08624	28.2
438.25839	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	437.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
55.01881	10.2
55.05516	28.0
57.03441	8.1
57.07055	2.8
65.03935	3.6
67.05508	51.3
67.05873	2.7
69.03435	33.7
69.07074	20.8
70.31018	8.1
70.31361	2.1
71.01367	5.7
71.04998	8.4
73.02927	7.0
77.20934	2.0
79.05497	45.1
81.03423	27.4
81.07060	100.0
83.04991	10.9
83.08618	15.2
85.02906	15.7
85.06526	3.7
91.05486	43.0
93.07042	39.3
95.04991	13.7
95.08614	38.5
97.02902	33.4
97.06553	10.4
97.10185	3.5
99.04473	7.1
99.08091	3.3
103.05479	2.8
105.07037	39.1
107.04964	16.5
107.08613	23.1
109.02870	11.9
109.06519	34.1
109.10175	15.1
111.04465	6.9
111.08060	6.6
115.03967	3.5
117.07043	15.7
119.04920	3.6
119.08575	29.4
121.06521	9.1
121.10146	15.7
123.04453	3.4
123.08064	10.2
123.11724	10.0
125.09592	3.4
125.44250	1.9
127.03941	23.8
128.06252	3.3
129.05510	5.5
129.07025	10.0
131.08592	20.4
133.06491	10.7
133.10110	21.8
135.04440	3.0
135.08084	9.1
135.11699	10.4
137.05963	3.6
137.09621	8.4
137.13338	1.9
139.07567	3.3
141.06984	4.1
143.08594	8.3
145.06509	7.5
145.10150	17.4
147.08057	8.4
147.11703	19.9
149.02338	20.2
149.03360	2.7
149.09615	16.8
149.13309	8.0
151.11206	3.9
153.46532	2.0
153.57051	1.9
155.08557	4.3
157.06476	3.5
157.10170	8.3
159.08083	5.7
159.11690	13.2
161.06003	2.7
161.09651	8.9
161.13246	5.6
163.11166	9.5
163.14795	3.1
165.12750	5.8
169.10161	4.8
171.08014	2.4
171.11670	6.1
172.04228	2.9
173.09656	8.3
173.13295	6.2
175.07664	3.0
175.11201	9.2
175.14943	2.3
177.09166	3.5
177.12746	4.7
183.11720	4.0
185.09631	3.7
185.13293	2.4
187.11249	5.8
187.14818	2.3
189.09036	2.4
189.12787	4.7
191.10658	2.8
193.04961	31.6
193.12231	4.6
195.11647	3.1
195.13594	2.1
197.13254	3.6
199.11374	3.0
199.14951	2.3
201.12694	3.2
207.13727	3.2
214.68185	2.1
215.14290	2.1
227.12677	2.1
229.19478	4.0
239.17996	3.9
247.20595	8.5
257.19144	7.3
264.34879	2.3
265.21628	3.6
273.18549	6.1
275.20071	79.5
287.20081	4.0
293.21210	13.3
305.21170	4.1
315.19443	3.3
317.21173	5.4
329.21158	7.8
341.21350	3.0
353.21307	2.6
355.22675	3.7
365.21228	5.7
371.22113	5.2
373.23938	2.5
383.22260	11.8
401.23270	9.1
410.20032	5.5
419.24225	13.5
437.25333	42.1
437.30878	2.3
438.28320	7.1
441.97339	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
55.01867	7.9
55.05512	21.1
57.03431	5.4
65.03953	4.4
67.05173	2.9
67.05502	39.4
69.03429	19.1
69.07061	18.1
70.64904	7.5
71.05000	5.7
74.58692	2.4
79.05495	40.8
81.03422	28.3
81.07056	100.0
83.04982	8.2
83.08606	14.9
85.02905	7.5
88.65660	2.0
91.05479	32.4
93.07056	30.6
95.04964	21.8
95.08604	24.4
97.02863	5.8
97.06520	8.3
97.10149	6.3
99.04444	4.9
103.05503	2.5
105.07039	35.6
105.07708	4.5
107.04958	14.7
107.08602	22.7
109.02879	6.7
109.06522	35.3
109.10151	15.9
111.08072	4.7
115.05497	2.3
117.07012	14.4
119.08576	26.4
121.06510	7.1
121.10136	15.1
123.04362	2.7
123.08062	12.7
123.11716	4.7
125.09663	2.5
127.03944	11.4
128.06194	2.1
129.06984	5.5
131.08542	17.7
133.10130	16.7
135.08046	6.6
135.11716	9.9
137.09630	6.4
141.07010	3.1
143.08591	5.1
145.06490	2.8
145.10103	15.5
147.04401	2.4
147.08046	7.6
147.11684	12.6
149.02281	2.5
149.06003	4.2
149.09627	8.1
149.13266	8.0
151.07603	2.4
151.11188	4.2
157.10088	5.5
159.11702	9.6
161.09599	5.5
161.13303	3.7
163.07562	6.1
163.11180	10.6
163.14793	3.7
165.12737	5.0
168.92682	2.2
169.10031	2.9
171.11707	4.9
173.13235	3.6
175.11148	3.2
177.09116	9.9
177.12770	2.8
187.14897	3.0
191.10576	3.4
193.04913	2.9
193.12212	5.7
193.32721	2.6
197.13179	2.3
223.11336	2.3
223.13255	13.5
227.12570	4.1
229.19501	4.1
239.17831	2.3
247.20474	4.8
257.18900	5.7
273.18539	11.3
275.20065	70.6
291.19553	9.0
293.21136	7.8
294.11035	3.7
338.17627	2.6
383.22290	2.9
392.22263	3.6
401.22949	5.5
402.20703	8.2
405.18665	2.4
407.47784	2.5
419.24203	7.8
420.21753	6.8
437.19458	5.5
437.25345	26.7
438.23349	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05968	5.4
53.03944	16.0
55.01870	12.9
55.05513	37.1
56.96568	6.2
57.03436	10.0
67.05505	92.3
68.05811	5.9
69.03429	41.5
69.07079	41.9
69.74378	5.1
70.06594	14.5
70.09257	25.3
71.05019	10.5
71.52560	5.0
73.02921	6.2
79.05490	56.7
81.03424	49.8
81.07061	100.0
83.04992	24.4
83.08636	17.6
85.02909	20.0
91.05488	63.9
93.07056	69.2
95.04987	25.4
95.08623	64.4
97.02908	44.4
97.06522	24.8
97.10180	6.1
99.04460	10.7
99.08135	6.4
101.02370	4.9
105.07046	54.4
107.04958	24.9
107.08596	36.3
109.02876	33.5
109.06531	25.9
109.10159	44.5
111.04449	7.4
111.08080	9.3
117.07035	17.2
119.04985	8.2
119.08607	35.2
121.06530	11.5
121.10140	21.8
121.65717	4.9
123.08041	12.9
123.11750	14.8
127.03931	39.0
129.07040	15.4
131.08565	25.9
133.06493	8.9
133.10143	21.7
135.08052	18.8
135.11716	19.4
137.09589	10.9
143.08578	11.2
145.06485	11.4
145.10112	30.7
147.08037	12.8
147.11717	28.7
149.09636	17.6
151.11200	6.1
157.10092	6.1
159.08107	6.8
159.11662	15.1
161.09634	10.4
161.13246	6.4
163.11212	21.4
165.12769	9.4
169.10158	5.2
173.09628	11.4
173.11795	12.6
175.11154	7.5
185.09677	6.0
185.13306	6.9
191.10696	8.0
199.11089	8.2
209.11642	6.1
216.97331	5.5
227.12820	18.9
263.19974	8.7
273.18259	6.5
275.20041	59.4
291.19614	6.5
293.21234	12.4
329.20993	10.3
355.22803	10.7
383.22128	16.3
393.67569	6.2
401.23282	12.9
419.24390	11.8
437.25497	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1085
Annotation	Tricornoside E
Peak:m/z	Relative Intensity
53.57662	0.2
55.88255	0.2
61.02920	0.3
64.34916	0.2
65.19533	0.2
65.44565	0.2
67.05503	0.3
68.99784	0.7
69.03439	1.1
69.88477	0.2
70.06582	0.9
71.04979	0.5
71.59187	0.3
71.59560	0.3
72.08157	0.5
73.02915	0.3
79.05498	0.3
81.03416	0.4
81.07056	0.5
85.02914	1.2
86.09695	0.7
91.05489	0.6
93.07030	0.4
95.04977	0.2
95.08604	0.4
97.02892	0.9
98.06046	0.3
98.97540	0.3
99.04404	0.3
103.05486	0.2
105.07055	0.4
109.02878	0.5
109.06522	0.4
109.10081	0.3
112.08735	0.2
114.10306	1.3
115.05437	0.3
119.04951	5.3
119.49287	0.2
120.08118	1.0
123.04438	0.5
127.03932	0.6
128.06168	0.2
129.06950	0.4
131.04933	0.6
134.78725	0.2
137.05986	0.6
139.03894	0.9
143.04900	0.3
145.04941	0.3
145.06490	0.8
147.04410	0.8
151.03947	0.3
153.01778	0.3
155.04938	0.6
157.06502	0.8
159.04410	0.5
160.05193	0.6
161.05969	0.5
163.03915	0.7
167.07054	0.5
171.04362	1.1
173.05917	0.4
175.14742	0.3
181.04968	0.2
183.04408	0.4
185.06003	1.7
187.03914	3.7
188.04683	0.9
189.05424	0.3
190.02650	2.6
191.03391	1.0
193.08607	0.7
199.03938	0.9
200.04718	0.4
201.05423	1.5
203.06999	0.4
204.04156	0.7
211.03914	0.9
211.09607	0.4
213.05537	2.1
215.03394	5.9
216.04189	15.9
217.01297	0.3
217.04962	0.5
218.02097	0.7
219.06563	0.3
229.04971	4.3
229.07088	0.2
231.06573	0.5
232.03540	0.6
236.03267	0.6
239.03546	0.4
243.02902	25.2
244.03426	0.9
245.04602	0.2
247.05948	0.6
257.04428	1.6
257.15662	0.3
260.03174	8.2
261.03796	0.2
270.07620	0.8
275.05505	100.0
276.05820	1.8
282.04123	0.3
285.07944	0.3
296.03506	0.3
321.22882	0.3
396.07724	0.3
437.10748	53.4
438.11560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19228	0.6
52.24704	0.5
55.01865	1.4
55.05502	0.7
55.46896	0.6
57.03437	5.9
57.03708	0.9
59.05002	1.6
59.65495	0.6
59.70904	0.6
61.02929	0.9
65.03957	0.7
69.03432	2.0
70.06586	1.7
70.85478	1.4
71.04997	1.5
71.14836	0.8
75.04472	2.7
77.31628	0.7
78.08496	0.6
79.05483	1.8
81.03423	1.5
81.07059	0.7
85.02911	6.5
87.04470	0.8
91.05473	1.9
95.04928	0.9
96.08127	1.2
97.02887	2.5
103.05508	1.1
105.05524	0.8
105.07040	23.5
107.04943	2.9
109.02892	1.3
109.06505	1.1
111.04416	1.2
111.86566	0.6
122.03649	1.9
122.06029	1.5
123.04379	0.8
124.07590	7.7
127.03914	2.0
131.04999	0.6
133.06500	57.8
134.06833	1.0
135.04404	0.8
137.05986	100.0
138.06306	1.3
139.03897	2.8
142.91232	0.6
145.04976	1.4
145.06325	0.7
147.07980	0.9
148.07640	0.8
150.05521	0.7
163.03900	1.0
163.07521	4.9
165.09131	35.4
171.06555	1.8
175.07568	3.1
177.09171	0.9
181.08577	1.7
183.10184	25.7
193.08542	1.0
202.08655	1.6
203.10703	2.2
209.11716	1.2
221.11743	4.1
230.11783	2.5
239.12851	3.3
242.08176	1.1
257.13861	62.9
258.14233	1.2
275.05521	1.4
275.13953	6.9
278.19675	0.7
436.11865	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08506	0.5
55.01878	1.7
56.96553	0.7
57.03436	4.7
59.04984	1.6
61.02926	0.8
65.03933	0.7
65.83299	0.6
67.46165	0.6
69.03428	2.7
69.07051	0.6
69.71708	2.8
69.72115	0.9
70.06591	3.4
71.04977	2.3
75.04482	1.9
79.05492	2.2
81.03406	1.8
81.07024	0.8
82.91266	0.6
83.04990	0.9
84.61302	0.5
85.02903	9.0
87.04461	2.4
91.05481	1.8
93.07034	0.9
93.21548	0.6
94.04188	0.5
95.04948	0.8
95.08584	0.9
96.08181	0.6
97.02912	4.5
103.05443	1.4
105.05507	1.1
105.07031	28.6
106.07317	0.7
107.04950	3.6
109.02896	1.9
109.06522	1.1
111.04454	1.7
113.09548	0.6
116.98607	0.8
117.07003	0.9
119.04951	0.7
119.08579	0.8
121.06475	0.8
122.03652	1.7
122.06014	1.7
123.04398	1.2
124.07593	5.9
127.03927	2.4
128.10666	0.8
131.04898	1.1
133.06493	55.2
134.06825	1.0
135.08047	0.9
137.05977	100.0
138.06320	1.2
139.03996	3.0
145.04932	1.9
147.04376	1.2
148.07553	1.0
151.03896	1.2
151.07523	1.3
161.05917	1.1
163.03928	2.2
163.07556	4.4
165.09114	34.2
167.07094	1.9
171.06528	2.4
171.07889	0.6
175.07550	4.2
175.11230	0.9
177.09099	1.4
179.07040	1.0
181.05051	0.8
181.08640	3.5
183.10176	25.2
189.07532	0.7
192.06415	0.6
193.08673	1.4
202.08662	1.6
203.10670	2.6
209.11812	0.8
213.07628	0.8
221.11783	3.8
229.07320	0.7
230.11781	2.0
237.02708	0.6
239.12886	3.6
242.08089	1.8
242.37370	0.7
247.05951	0.6
257.13843	65.7
258.14215	1.4
274.07312	0.8
275.05585	4.4
275.13879	8.4
278.10309	0.7
289.12094	1.0
346.09094	0.7
392.13312	0.8
436.11615	1.4
456.52576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01870	1.2
55.05509	1.0
56.96555	1.0
57.03425	2.5
59.04984	1.3
61.02917	1.8
61.71100	1.1
62.36014	0.7
63.02915	0.9
69.03432	9.2
69.79391	6.4
70.06586	6.5
71.04994	18.9
73.02904	2.6
74.55332	0.9
81.03423	8.2
81.07056	1.7
83.04984	2.0
84.04499	1.2
85.02908	19.5
87.04466	1.5
89.06035	100.0
91.05479	3.1
93.07035	1.1
95.04964	1.6
97.02283	1.9
97.02898	39.1
99.04440	5.8
103.03945	9.9
105.07044	1.5
107.04950	1.8
108.04467	1.1
109.02882	16.4
110.03173	0.9
111.04425	2.7
115.03930	1.2
116.98608	1.3
118.73333	0.9
123.04432	1.6
127.03923	17.2
130.06511	1.1
133.02821	1.2
133.06462	2.2
134.99634	1.2
135.06532	15.4
137.05940	3.1
139.03923	1.7
141.05492	2.4
145.04971	16.9
145.06081	0.8
147.04385	3.8
149.05986	1.1
151.03862	1.7
161.05971	2.1
165.05455	2.9
167.07033	2.7
172.18349	1.0
173.08163	3.1
173.13266	1.3
175.06046	1.7
175.07474	1.0
177.00714	1.3
177.05504	4.5
177.07561	2.4
177.09074	15.1
179.07042	2.1
185.13228	1.1
189.05554	1.9
189.07579	1.2
191.07141	1.4
191.09148	1.4
191.14330	1.6
193.08514	2.0
197.08119	2.6
199.04066	0.9
201.07611	1.1
203.07083	2.8
207.06541	17.5
219.08640	14.6
221.11739	2.3
231.06529	11.4
231.08621	1.4
237.02739	1.4
242.08241	1.1
243.08554	4.4
249.07626	17.7
257.13943	1.8
261.09702	11.6
267.08472	1.9
289.12082	1.9
383.13586	1.0
400.03308	1.2
416.04813	1.1
422.11670	1.0
436.16306	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	435.2745
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03928	2.0
55.01862	3.2
55.05507	8.8
57.03424	2.5
57.07056	4.3
65.03934	2.0
67.05510	19.5
69.07066	8.6
70.06168	2.1
70.06580	7.7
79.05497	18.4
81.03432	2.9
81.07059	43.2
83.04986	3.2
83.05669	1.4
83.08612	5.7
85.02885	2.2
85.06532	4.5
91.05486	24.8
91.45858	1.3
93.07051	12.9
95.04965	5.7
95.08606	9.6
96.67903	1.3
97.06509	5.2
97.10172	5.0
99.08073	2.0
105.07035	14.2
107.04958	5.9
107.08596	9.8
109.06516	15.4
109.10159	4.7
111.04530	1.6
111.08086	2.1
117.07011	3.5
119.04951	18.7
119.08562	11.5
121.06483	4.0
121.10164	7.1
123.04426	3.3
123.08039	4.0
125.09541	1.4
129.07022	2.5
131.08545	8.9
133.10152	9.8
135.08075	2.5
135.11662	6.7
137.09590	4.0
143.08582	1.6
145.06534	1.4
145.10106	6.0
147.04416	100.0
147.08054	3.2
147.11702	10.0
148.04773	1.7
149.02303	3.2
149.05957	2.9
149.09616	4.2
149.13307	2.4
151.11104	1.7
152.76695	1.3
157.10149	3.7
159.11612	3.5
161.05991	1.5
161.13272	2.4
163.03908	6.6
163.11166	4.2
165.05519	2.1
165.12794	4.7
171.11646	2.6
172.95190	3.0
173.13271	2.0
175.11195	2.5
187.14824	1.7
193.12267	3.1
197.13110	1.9
203.10616	3.0
207.06512	7.0
217.19635	2.2
229.19530	1.7
239.17903	2.0
247.20726	1.6
256.26398	4.5
257.18951	4.3
273.18536	2.8
275.20068	26.3
291.19583	4.0
391.28357	7.7
395.83731	1.5
417.26013	3.6
435.26807	5.9
436.30649	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	435.2507
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.46080	1.9
53.15541	1.5
55.05520	16.0
55.72059	1.6
57.03444	9.3
57.07064	6.5
57.52880	1.4
67.05170	2.7
67.05510	41.8
69.07070	17.1
69.92603	9.9
71.08620	4.8
79.05494	12.4
81.07061	43.6
83.04950	1.8
83.08630	9.9
83.90936	1.8
85.06547	2.2
91.05460	8.2
93.07050	15.8
95.08050	2.8
95.08613	39.7
97.06546	3.3
97.10176	8.4
98.98473	49.0
99.08088	2.1
105.07031	8.3
105.16160	1.7
107.08622	7.9
109.10168	17.7
111.08135	2.1
119.08575	6.4
121.02875	2.4
121.10153	7.5
123.11723	6.5
133.08646	1.6
133.10132	4.8
135.11681	3.0
135.14659	1.8
137.13292	3.5
147.11659	4.4
149.13306	2.8
151.14822	3.3
155.01047	27.9
161.13306	3.1
163.14867	3.6
167.19279	1.6
173.02133	6.7
175.14821	1.9
178.28123	1.7
192.58739	1.6
197.01990	1.7
216.51640	1.6
245.22791	10.3
245.24962	2.0
263.23718	27.7
299.78949	1.8
306.30682	1.7
316.18240	1.8
337.27390	100.0
364.18088	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05507	3.5
55.99374	2.4
57.03421	5.4
65.03918	4.5
67.05508	3.9
69.03429	3.9
70.06614	2.3
71.60102	4.6
73.02915	11.9
78.04733	3.1
79.05480	15.0
81.03416	3.1
81.07071	4.4
83.04953	2.5
83.08626	3.1
85.02908	2.7
91.05489	25.1
93.03387	3.7
93.07047	14.0
95.04972	11.1
95.08599	6.5
96.34893	2.6
97.06546	3.2
99.04457	2.7
103.05477	21.2
105.07008	10.6
107.04945	31.1
107.08591	3.9
109.02872	3.2
109.06543	2.4
109.10162	3.9
115.05446	4.2
117.07035	5.6
119.04927	7.4
119.08542	4.1
121.02876	2.5
121.06509	25.5
123.04429	10.6
123.08087	2.8
124.05202	5.3
125.05972	8.8
127.03953	3.6
128.06247	7.1
129.07013	24.0
131.04918	26.0
131.08554	13.6
132.42505	2.5
133.02873	2.9
133.06516	6.9
135.04405	3.5
135.08064	8.3
135.11649	3.5
137.05975	69.9
139.03905	10.8
139.07533	2.9
141.06760	2.5
143.04967	2.8
145.06491	7.3
146.03735	2.7
147.04492	5.1
148.05231	3.7
149.05974	8.6
150.06773	5.1
151.03915	7.2
151.07533	22.5
152.04692	2.8
153.01863	3.8
153.05469	18.9
155.07066	4.2
155.08507	3.1
157.06500	16.8
159.08043	3.4
161.05965	37.4
161.09619	10.4
163.07532	29.9
165.05548	4.7
165.06989	8.6
165.09129	10.6
166.04909	2.5
166.06287	9.1
167.07051	87.5
167.08388	4.4
168.46405	2.7
172.05132	2.8
173.06107	2.6
174.06786	16.4
175.07553	13.4
177.05435	3.1
177.09140	9.3
178.07787	3.3
179.07043	5.8
179.08572	6.5
181.04965	9.5
181.06392	4.1
181.06689	4.3
181.08588	96.4
182.07315	6.7
183.08076	4.0
188.08344	2.3
189.09106	84.1
190.09367	3.5
190.16722	2.3
191.08540	5.1
193.06464	4.6
193.12094	2.6
194.07262	6.0
195.08052	14.5
196.08739	2.8
197.09648	9.3
199.07539	4.7
201.05508	2.8
207.08182	5.0
207.10176	18.2
209.09644	4.3
210.06743	6.7
211.07582	7.0
213.09158	3.4
216.12334	3.1
219.08093	5.1
219.10129	3.1
221.05989	7.2
223.07582	13.8
223.11166	4.4
224.08237	4.3
225.05605	3.6
225.09120	23.9
227.07047	7.7
229.12288	3.2
235.07564	6.4
236.04521	3.3
236.08318	4.9
237.09166	6.7
239.07054	8.6
239.10834	3.5
240.07776	7.4
241.08594	9.0
242.09435	4.1
247.07576	6.3
251.06970	9.2
251.10692	11.0
252.08018	2.8
253.08595	23.5
254.09406	4.3
255.06479	8.9
255.10083	4.5
256.11011	2.5
257.11658	14.2
259.09750	3.4
265.08731	4.5
267.10223	8.8
268.07321	4.4
269.08176	13.9
269.10535	2.6
270.08865	4.9
271.13248	3.6
273.07629	2.8
273.12466	3.4
277.08698	2.8
279.10199	7.8
283.09671	19.0
283.13220	11.2
284.10336	3.9
285.07941	3.4
285.11160	52.9
296.10431	3.1
297.11252	8.4
299.09201	4.9
299.12671	7.2
302.11493	10.4
303.04984	90.1
304.05341	6.7
311.12762	15.5
315.12305	24.0
316.13135	5.1
317.13812	33.1
327.12415	3.0
329.13831	10.4
331.15491	7.1
343.15424	29.0
346.14105	23.7
359.14697	13.7
360.15659	84.9
361.16461	100.0
361.20972	5.5
362.16913	4.9
372.15833	3.1
403.17371	3.2
435.16077	6.6
435.20764	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	435.1289
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
57.03417	0.5
60.89091	0.5
65.03957	0.6
67.05501	1.1
68.99792	0.7
69.03422	1.2
69.07064	0.6
70.06594	0.7
71.60045	0.9
72.08144	0.6
79.05483	1.2
81.03410	1.5
81.07050	0.9
84.08194	0.6
85.02908	2.3
90.82754	0.5
91.05502	3.1
92.43700	0.5
95.04963	1.9
95.08601	1.1
97.02882	1.2
97.06512	0.9
105.07040	0.7
107.04958	2.1
107.08607	1.0
109.02883	0.6
109.10200	1.0
111.00804	0.6
113.02156	0.5
119.04938	7.7
120.08113	0.5
121.02944	0.5
121.06531	0.8
121.10144	0.6
123.04421	2.4
127.03898	1.4
137.02335	0.6
137.06021	0.6
139.03879	0.6
145.02861	0.5
147.04413	30.8
148.04747	0.7
149.06078	0.6
151.03925	0.7
153.01831	57.6
154.02185	0.9
163.03845	0.8
165.01770	0.8
166.68764	0.5
167.07130	2.9
171.02916	3.3
172.05217	0.6
177.05458	2.4
179.03381	0.5
181.04984	2.5
183.03003	0.7
189.05528	0.6
195.02890	1.4
209.15306	0.8
210.15582	0.4
219.02921	0.9
231.06520	0.8
233.08044	0.8
261.22525	0.5
273.07578	100.0
274.07947	3.9
281.70450	0.5
303.05038	3.6
315.08633	0.6
339.08551	0.9
348.33417	0.6
354.53629	0.5
387.14423	0.7
417.15671	1.1
427.16483	0.5
435.14502	1.0
435.19980	6.2
435.25507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0924
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03431	0.7
61.02929	2.0
63.00306	0.3
67.05484	0.2
68.99796	0.6
69.03434	0.6
70.29501	1.0
71.01356	0.5
73.02920	14.1
79.05472	0.3
85.02895	0.8
93.03394	0.3
107.04961	0.4
109.02895	0.5
111.00780	1.0
115.03918	0.9
121.02866	0.9
121.63928	0.2
123.04421	0.3
135.04451	0.3
137.02341	3.5
137.05980	0.9
145.06509	0.2
146.49403	0.2
149.02333	0.4
153.01831	3.9
157.06393	0.3
161.05994	0.3
163.03964	0.5
165.01865	1.8
167.07071	0.7
173.05945	0.6
175.53995	0.2
179.03323	0.5
183.02925	0.9
198.36389	0.2
201.05470	1.5
202.32298	0.3
228.04231	0.3
229.04979	4.1
247.06065	1.0
255.06573	1.2
257.04526	2.9
273.07678	0.7
274.04733	0.7
285.04123	1.5
303.04996	100.0
304.05310	2.6
311.12988	0.3
346.03796	0.3
388.40747	0.3
420.91061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01854	2.9
57.03186	1.9
57.03440	23.3
59.04993	4.7
60.04521	3.0
61.02920	5.6
64.05489	0.9
65.03918	1.2
67.05498	1.6
69.03431	74.4
70.06574	3.6
70.30419	1.0
71.01374	1.3
71.04992	2.0
71.59299	1.8
71.86115	1.1
72.08155	1.9
73.02924	6.4
75.04475	4.3
76.03999	1.6
79.05514	1.7
81.03423	7.0
81.05803	0.9
81.07055	2.4
83.04994	1.5
84.04525	1.0
84.08138	1.2
85.02908	97.1
87.04472	55.1
91.03953	2.1
91.05476	2.0
93.07054	1.0
95.04992	1.9
95.08598	1.6
97.02901	79.4
98.03210	1.3
98.97562	1.1
99.04447	4.6
103.03939	1.7
105.07043	11.8
107.04930	3.3
107.08569	1.6
109.02871	6.3
111.04462	2.0
115.03937	99.3
116.04268	1.2
116.07097	2.4
119.08582	3.1
120.08113	1.2
121.02888	8.1
121.06448	1.4
121.10130	1.4
123.04463	2.0
126.05556	1.6
127.03912	20.6
130.66084	1.1
132.73479	1.1
133.04971	100.0
133.06572	2.8
133.10188	1.5
134.15230	1.0
137.05931	1.8
139.03926	2.3
144.06606	1.2
145.04970	31.7
145.06216	1.5
147.04425	2.6
147.08003	3.8
148.49637	1.1
150.07632	17.9
159.06557	1.2
159.11765	1.2
161.06009	2.5
163.03876	1.4
163.06032	16.5
165.01868	1.3
165.05464	1.7
166.04996	1.6
167.06969	5.0
169.04947	3.5
171.06604	1.3
171.08025	1.8
177.01920	1.5
181.04958	8.5
181.51697	1.0
182.05336	1.1
183.02867	1.4
187.07697	1.1
189.09090	2.5
191.03400	1.4
193.15912	1.3
195.02943	6.1
195.25114	1.0
201.09085	3.3
205.08723	1.1
207.10126	1.2
209.07719	1.1
219.02863	2.0
219.10216	3.2
223.06068	2.5
231.03024	1.7
233.08058	3.3
241.07103	2.9
255.12256	2.5
259.08112	6.0
261.04059	1.3
272.05533	1.5
277.09186	2.3
285.07623	2.7
285.13403	5.6
295.10199	4.6
297.07690	1.3
339.08585	2.3
417.15652	2.2
434.19891	1.3
435.16327	5.0
435.22049	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	434.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
55.01857	1.9
55.05520	1.7
56.35780	1.2
58.99591	7.6
61.37312	1.2
66.62621	1.2
67.05511	1.8
69.03431	100.0
69.07057	2.3
70.06613	1.6
71.59759	2.7
73.01142	2.3
77.00629	2.6
79.05484	2.5
81.07048	4.9
83.04977	2.5
85.01113	3.0
85.02872	1.9
86.99064	8.1
87.00830	10.2
87.04462	3.6
91.05464	2.4
93.07040	3.8
95.08592	3.0
97.02878	2.0
99.02675	4.6
103.02151	1.8
105.00084	4.5
105.01825	1.5
105.07072	1.7
107.04909	1.5
107.08604	1.5
109.06514	1.4
109.10173	2.8
114.10306	1.4
117.03695	2.9
119.01641	4.4
119.08595	3.6
121.10139	4.0
123.08027	1.5
123.11678	4.0
131.01654	8.2
135.08043	8.0
145.03177	11.7
147.04414	2.0
147.11653	1.2
149.09680	1.9
149.13397	1.5
150.15385	1.4
163.04234	25.8
167.07042	2.2
173.02702	15.1
173.13298	1.7
175.36603	1.1
181.04958	3.6
182.05283	1.7
191.00114	8.4
191.03793	6.9
191.05283	1.7
191.14291	14.3
199.63063	1.1
219.17354	2.6
222.08626	1.7
223.11525	19.7
237.14951	1.3
249.04237	2.9
259.02783	2.0
277.03757	6.2
296.53253	1.2
331.73563	1.3
343.08340	6.0
388.27640	1.5
399.14789	3.3
404.14133	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01862	2.4
55.05508	1.3
56.96573	1.8
57.03439	24.8
59.05006	5.5
60.04525	2.7
61.02918	4.5
67.05501	2.3
69.03432	80.5
69.07082	1.8
70.06590	5.1
70.38326	4.5
71.04964	2.2
71.60310	1.1
72.08162	1.5
73.02930	7.5
75.04475	2.2
79.05470	2.1
80.82460	1.0
81.03414	5.7
81.07043	2.4
85.02908	97.1
86.03236	1.2
86.09715	2.0
87.04472	51.5
91.03966	2.8
91.05478	3.3
95.04974	2.5
97.02899	74.8
98.78769	1.3
99.04458	4.1
103.03938	1.5
103.05466	1.5
105.07037	13.4
107.04940	2.4
109.02873	6.6
110.61381	1.1
111.04461	2.6
115.03934	100.0
116.07082	3.3
117.06993	1.2
119.04933	1.1
119.08569	2.3
121.02877	5.8
125.73185	1.1
127.03917	20.6
131.04982	1.0
131.08578	1.9
133.04971	96.9
133.10052	1.6
135.11722	1.3
137.06001	2.2
141.31190	1.1
143.08582	1.4
145.04964	32.7
147.04417	2.4
147.08081	3.8
150.07645	14.0
151.07552	1.4
157.05014	1.4
159.04739	1.2
161.05969	2.0
163.03937	1.6
163.06039	12.5
165.01852	1.7
167.07030	3.7
167.10667	1.1
169.04913	2.0
181.01483	1.1
181.04965	8.2
183.02850	3.3
187.05954	1.4
189.09059	3.0
191.03375	1.7
195.02922	6.2
201.09154	3.0
219.03006	1.2
219.10182	3.9
223.06059	1.7
231.10222	1.8
233.08022	3.0
237.11043	1.7
241.07155	3.2
255.12213	3.6
259.08179	6.1
261.03915	2.0
272.05438	1.5
272.15048	1.1
277.09180	2.8
285.07599	2.4
285.13336	5.2
295.10159	4.6
339.08618	2.7
350.48480	1.2
399.11032	1.4
417.15613	1.9
435.16122	4.8
435.22025	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	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05516	11.8
57.03450	9.7
57.22827	1.8
67.05505	48.2
69.07069	9.5
70.39339	7.8
79.05495	26.8
81.07058	56.6
83.08625	6.2
85.06570	1.8
91.05466	18.9
93.07050	39.0
95.04974	5.5
95.08611	42.5
98.98470	66.1
105.07057	13.6
107.08594	25.1
109.10149	23.4
113.14771	2.1
117.07015	3.6
119.08568	12.1
121.10139	18.6
123.11722	10.8
131.08580	12.8
133.10147	12.5
135.11699	14.5
137.13275	4.4
140.10909	2.0
145.10117	5.2
147.11717	6.3
149.09630	2.8
149.13280	13.3
151.14879	2.0
154.45248	2.1
155.01010	10.3
159.11725	7.0
161.13263	7.3
163.14844	8.2
173.02112	14.0
173.13286	8.0
175.14890	2.8
177.16428	3.3
187.14871	3.7
201.16370	2.0
203.24179	2.0
233.22720	3.0
243.21031	13.8
261.22156	48.9
317.24817	8.4
335.25818	100.0
336.26077	3.9
433.23816	2.6
433.30594	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	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.0
57.03422	11.3
62.91536	4.7
64.73317	5.7
65.40905	5.3
67.05502	60.8
67.62638	4.8
69.07064	10.5
69.75285	31.2
71.76766	5.4
79.05492	44.6
81.07057	62.9
83.08603	7.3
90.55940	6.9
91.05473	16.3
93.07034	58.2
95.08614	43.3
98.98470	100.0
105.07056	27.3
106.90427	5.3
107.08591	29.2
109.06550	5.6
109.10141	23.7
119.08556	11.2
121.10140	33.2
130.44200	5.6
131.08575	17.8
133.10152	13.5
135.07951	5.7
135.11691	19.1
140.99481	8.8
145.10112	13.9
147.11700	7.6
149.13255	14.5
155.01050	28.3
156.20381	5.6
159.11693	14.5
161.13309	12.9
163.14880	11.4
173.02087	15.7
173.13237	16.1
187.14851	5.8
197.02182	5.0
214.99297	6.1
243.21129	22.1
252.57991	6.5
261.22156	91.6
317.24777	6.1
335.25830	88.9
413.79294	6.3
415.22415	14.0
415.27710	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	433.2223
Annotation	Melleolide B
Peak:m/z	Relative Intensity
55.01871	11.9
55.05514	35.7
57.07064	4.3
63.44249	4.4
67.05512	24.0
69.03430	9.3
69.04994	5.2
69.07069	17.2
71.05003	6.1
71.60007	6.3
79.05514	28.9
79.05920	4.4
81.03427	8.0
81.07055	42.2
83.04995	7.7
83.08625	16.3
85.02914	5.6
91.05479	28.8
93.03405	8.1
93.07056	20.6
95.04978	11.2
95.08624	29.8
97.02891	7.1
97.10177	14.9
105.07029	25.9
107.04964	10.5
107.08607	17.6
109.02884	5.9
109.06557	9.0
109.10186	11.9
115.05460	8.2
117.07042	16.6
119.08585	21.1
121.06498	7.1
121.10148	11.1
123.04369	6.1
125.09656	11.0
127.07433	4.8
128.06203	4.8
129.07010	16.2
131.08578	20.7
133.06508	10.5
133.10165	11.4
135.04439	9.8
135.08075	6.3
135.11668	4.5
141.06984	5.8
143.08565	15.2
145.06499	8.4
145.10141	18.4
147.04416	12.5
147.08049	4.9
153.05437	9.6
155.08563	13.4
157.06503	6.4
157.10146	14.4
159.08084	6.5
159.11684	9.2
161.06003	10.9
161.09628	7.2
163.03931	15.1
163.11174	6.1
167.08618	7.0
169.06512	5.7
171.08072	10.4
171.11737	9.5
173.06165	7.2
173.13307	9.5
175.03996	5.4
177.05492	7.5
181.10248	5.5
183.08162	7.5
183.11691	8.1
185.09660	13.4
187.07663	6.9
187.11226	6.4
189.05489	15.0
189.09006	5.3
199.11279	9.7
201.05566	6.5
201.09135	8.7
211.07542	5.6
211.11203	5.9
213.09207	6.2
215.10678	6.5
217.12279	6.2
227.10712	9.1
235.06056	17.9
239.10776	8.1
241.59384	5.0
245.11824	11.6
303.12054	5.3
317.13736	10.2
325.18036	7.0
327.12250	11.4
327.19482	11.7
333.13574	8.2
345.13495	23.5
351.19421	7.2
355.19067	12.3
363.14447	81.7
364.14764	6.4
367.19086	8.4
369.20483	12.8
379.19125	26.6
397.20135	48.4
403.10156	13.1
415.21121	100.0
416.21463	9.2
433.15091	16.7
433.22226	30.1
433.29861	4.8
456.72894	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	433.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19307	0.6
53.03952	0.6
53.98770	0.7
55.01860	1.0
55.05507	2.3
56.05022	1.4
57.03428	2.0
57.98803	0.7
58.99587	16.8
61.01149	0.7
67.05505	1.0
68.05039	0.6
69.03426	1.0
69.07063	1.2
69.39915	3.0
69.40340	2.7
70.06583	1.0
70.90968	0.5
71.04987	1.0
73.01134	1.8
73.06567	0.5
74.00668	1.1
76.02229	9.8
76.04004	2.7
79.05501	3.4
80.04999	1.2
81.03414	0.7
81.07061	28.7
83.06094	2.1
84.04506	24.3
84.08103	0.8
85.02901	1.9
86.00650	2.4
86.56107	0.6
86.99053	13.7
87.02691	1.1
88.02201	4.0
89.06025	3.4
90.06370	0.8
91.05453	1.1
91.93140	0.6
93.07036	0.8
94.06571	1.6
95.06112	6.3
95.08601	2.2
97.02892	1.2
97.06513	1.9
98.09643	0.8
98.21531	1.4
99.05602	0.8
99.08106	7.4
100.02222	1.0
105.00108	1.2
105.07025	1.7
107.06049	0.7
108.08086	1.7
111.02669	0.7
112.03961	0.7
113.04229	2.1
114.03713	1.4
115.02173	1.2
116.01682	66.9
118.89065	0.7
122.09640	3.0
123.08039	1.0
123.10461	0.9
124.02209	0.8
129.05722	0.7
129.06551	4.4
130.04991	4.7
131.05260	2.9
133.08623	1.5
136.61972	0.7
137.05919	0.8
139.05756	2.5
140.05356	0.8
142.03220	2.4
144.01143	27.0
156.08441	6.6
157.06853	6.0
162.02206	100.0
163.02563	0.9
166.06862	0.9
167.05324	1.4
174.09477	2.2
183.09468	1.3
184.07925	15.9
196.62117	0.7
201.10565	27.3
216.06956	1.9
245.05936	1.4
259.11118	1.0
260.09497	9.5
272.05533	0.9
287.10605	49.5
288.10788	0.7
304.13254	40.2
312.14011	0.7
313.11752	0.7
340.13226	1.1
358.14307	19.0
370.14166	1.8
379.28998	0.7
416.15164	1.8
416.25940	0.8
433.17584	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	433.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.1
57.03435	2.1
58.91293	1.3
58.99590	13.7
61.01143	1.1
67.78599	1.2
69.03424	1.4
69.07063	1.7
70.06593	3.3
70.83234	3.9
71.25816	1.1
72.08153	1.4
73.01128	2.0
76.02236	9.6
76.04001	4.1
79.05491	4.8
81.07056	26.7
83.06124	2.3
84.04505	28.3
85.02895	3.1
86.00662	3.7
86.99047	14.7
87.02684	1.4
88.02219	3.8
91.05469	1.6
95.06090	4.6
95.08604	2.2
97.06532	1.7
99.08078	8.8
105.06988	2.8
108.08081	2.5
113.04246	3.3
116.01678	63.8
122.09645	2.1
129.06589	4.1
130.04987	6.6
131.05238	3.0
137.05971	1.7
139.05756	3.2
140.10721	1.5
142.03224	3.3
144.01151	33.5
147.04546	1.5
153.08977	1.2
156.08461	7.9
157.06810	7.9
162.02205	100.0
163.02599	2.1
166.06883	1.9
170.02654	1.3
179.05000	1.5
183.09416	1.7
184.07913	23.4
196.31628	1.2
201.10579	36.5
253.85704	1.2
260.09525	5.1
287.10620	36.4
288.10883	1.3
304.13263	52.0
340.13214	1.5
358.14288	19.0
403.13782	1.6
416.15128	1.7
433.17471	13.0
433.23428	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05504	1.5
57.03430	5.3
62.05776	1.1
66.65353	1.0
67.06686	1.2
70.06577	1.5
70.86305	3.8
71.04991	24.4
79.33440	1.1
81.03410	1.8
81.07050	2.1
83.04991	1.9
85.02905	24.2
92.54589	1.2
95.08616	1.3
102.27646	1.2
107.04965	1.4
117.17284	1.1
118.23683	1.1
121.02859	2.8
129.05539	6.3
130.44379	1.3
137.02425	1.5
137.05916	2.4
153.01816	3.0
161.09442	1.0
181.04997	1.7
183.02888	1.5
196.44661	1.1
213.05493	1.4
258.05212	1.2
265.08673	1.2
274.58395	1.1
285.09976	1.9
287.05508	100.0
288.05905	3.0
311.12628	1.7
341.12878	1.5
433.18356	3.1
457.20047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01868	1.3
55.05508	8.3
56.05033	3.2
57.03428	2.6
57.07064	1.2
58.06593	4.8
61.02924	2.2
67.05509	7.9
68.05021	1.1
69.03432	8.3
69.07078	8.7
70.06582	8.9
71.01364	1.1
71.04982	1.9
71.57265	1.3
73.02933	1.6
79.05519	5.1
81.03410	3.3
81.07061	9.2
82.06577	2.2
83.04980	3.4
83.08630	2.8
84.04521	1.8
84.08167	1.5
85.02911	13.4
87.04440	1.7
91.05482	4.2
93.07062	11.1
95.04964	2.0
95.08614	17.5
96.08134	5.6
97.02886	5.8
97.06533	4.6
98.06063	3.4
98.09706	2.8
98.97565	1.4
100.07602	3.1
105.07023	8.8
107.08602	16.5
108.08125	4.7
109.02861	2.0
109.06545	3.4
109.10167	18.1
110.06060	2.4
110.09679	3.9
110.85704	1.2
111.08094	2.6
113.02418	1.2
113.06010	1.8
116.01714	1.4
116.07094	2.7
116.98699	1.3
119.08590	10.8
121.02883	1.4
121.06503	1.2
121.10147	17.4
122.06075	1.3
122.09673	2.7
123.08068	4.0
123.11747	4.8
124.07581	2.8
126.05588	1.1
127.03931	4.3
127.11233	1.3
131.08571	4.4
133.10135	13.1
135.08054	2.6
135.11714	11.8
137.09628	6.8
137.13260	2.7
139.11163	1.3
145.04927	1.9
145.10110	2.7
147.11678	3.0
149.09642	1.9
149.13266	7.5
151.11223	3.1
151.14851	2.1
153.01877	2.5
159.11702	3.7
163.14845	2.5
164.14381	1.2
168.06406	1.4
173.13292	4.1
175.14861	8.4
177.12857	1.7
181.05025	1.9
189.12761	1.2
190.15956	1.3
191.14357	4.3
193.15872	6.9
204.08728	4.9
208.17014	2.6
209.15373	6.8
209.17133	1.1
217.16013	2.3
222.09764	5.7
226.18051	6.6
234.18518	7.0
252.19603	100.0
253.07193	3.5
253.19878	1.6
270.20697	6.8
341.09683	1.0
388.23459	2.0
414.24915	5.7
432.20020	3.8
432.25974	40.6
433.25824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03953	0.3
55.01875	0.6
55.05508	0.5
57.03178	0.3
57.03436	3.8
59.05000	0.4
59.60884	0.2
60.05669	0.2
61.02921	0.6
63.85770	0.2
65.03940	0.3
67.05526	0.3
68.99805	0.6
69.03429	8.9
70.06584	0.5
71.01353	0.4
71.04993	26.9
71.17642	0.2
71.21587	0.5
72.05326	0.3
73.02914	0.7
75.04475	0.7
79.05496	0.6
81.03410	0.4
81.07071	0.4
83.04983	0.7
85.02904	26.9
87.04469	0.8
88.80721	0.2
88.98850	0.2
91.05491	0.7
91.68665	0.2
93.07069	0.2
95.04970	0.4
95.08578	0.3
97.02890	0.4
98.09703	0.2
99.04430	0.2
103.05384	0.2
105.03413	0.8
105.07040	0.3
107.04965	1.1
107.08597	0.3
109.02890	0.5
111.00836	0.4
111.04473	1.2
119.04942	0.2
119.08595	0.3
121.02867	13.9
121.10142	0.2
123.04405	0.3
125.05957	0.2
127.03893	0.2
128.05096	0.2
129.05482	6.1
131.04921	0.3
131.08632	0.3
133.02841	0.9
133.10110	0.2
135.04419	0.6
136.07549	0.3
137.02394	0.7
138.09195	0.2
139.03879	0.2
141.01828	0.5
141.06975	0.3
145.02817	0.5
145.06502	0.4
147.04390	1.6
147.06534	0.8
149.02344	0.6
151.03899	0.5
153.01808	3.3
157.06480	0.6
159.04459	0.4
161.02362	0.6
161.05997	0.5
163.03920	0.9
164.04269	0.4
164.07158	0.4
165.01842	1.8
167.03435	0.5
171.04407	0.5
173.05997	0.6
175.03983	0.5
175.07428	0.2
175.11900	0.4
177.01836	0.3
177.05498	0.2
179.03441	0.5
181.04974	0.4
181.06500	0.3
183.02939	1.2
183.04398	0.3
185.06026	0.7
189.01805	0.2
189.05391	0.3
191.03384	0.4
192.57420	0.2
195.02849	0.4
197.05971	0.5
199.07675	0.3
201.05473	0.5
203.03429	0.5
203.07060	0.3
209.05956	0.4
211.03920	0.2
211.07471	0.2
213.05547	1.3
215.03386	0.6
217.04947	0.5
219.02960	0.4
219.06490	0.3
225.05528	0.3
227.07094	0.7
229.04979	0.9
231.06404	0.9
237.05475	0.4
241.04987	0.7
241.12398	0.3
243.06528	0.8
245.04382	0.9
253.10593	0.4
254.05870	0.3
255.06503	1.1
257.04514	0.4
258.05270	1.4
259.05963	1.3
263.05624	0.8
265.04895	0.2
269.04422	0.7
271.06033	0.7
272.06784	0.8
279.06650	0.3
283.05981	3.3
285.03891	0.7
286.04709	2.4
287.05493	100.0
288.05804	2.7
289.03494	0.5
295.06003	0.4
297.07550	1.0
299.05499	21.6
300.06253	4.6
308.06689	0.2
309.07870	0.3
310.04605	0.3
311.05505	5.4
313.03378	0.5
313.06976	2.9
323.05612	0.3
323.09119	0.5
324.06232	0.2
325.03488	0.3
325.07034	5.9
326.07529	0.3
327.04999	0.6
327.08670	0.8
329.06552	29.3
330.06763	1.0
333.07590	0.3
335.09219	0.8
336.06198	0.3
337.07031	2.5
339.04971	0.7
341.06506	0.9
341.10327	0.3
343.08356	0.3
351.08606	4.4
352.08939	0.2
353.06561	12.5
354.06808	0.3
355.08151	0.5
359.07648	0.8
361.07025	0.8
369.09720	0.5
371.07611	0.6
379.08124	11.6
380.08322	0.5
397.09180	28.0
398.09592	0.9
415.10217	9.1
416.10721	0.3
425.39764	0.2
433.11310	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	432.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98721	1.5
55.05515	7.6
56.05028	3.5
56.42603	1.4
56.96568	1.6
57.03449	2.9
57.07077	2.0
58.06590	5.6
61.02913	2.2
62.59758	1.3
63.73493	1.4
67.05502	6.1
69.03439	7.5
69.07070	9.4
69.73336	10.3
70.06239	1.7
70.06596	14.0
71.05004	2.5
72.08159	2.7
75.16183	1.2
79.05492	3.8
81.03446	3.1
81.07069	9.6
82.06592	2.1
83.04984	3.3
84.04519	3.0
84.08143	2.5
85.02898	13.2
85.06548	2.2
86.09712	4.5
91.05489	5.7
93.07059	8.0
95.04980	1.4
95.08607	14.4
96.08131	4.3
97.02885	6.1
97.06530	5.3
98.06045	2.1
98.09678	2.6
98.21542	1.7
98.97572	3.2
100.07592	3.5
105.07043	9.3
107.08601	16.3
108.08112	3.6
109.02840	2.6
109.06510	3.8
109.10177	15.4
110.09664	4.7
111.08075	2.0
114.05512	1.7
115.05511	1.4
116.01680	2.6
116.07106	17.5
116.98607	1.8
119.08578	12.1
121.06548	1.4
121.10165	16.6
122.09642	1.6
123.04462	1.7
123.08082	5.2
123.11737	2.0
124.07574	2.4
125.09591	1.9
127.03902	4.7
128.10754	2.0
131.08560	3.8
133.10146	12.3
133.64307	1.5
135.11685	11.4
137.05992	1.8
137.09610	6.2
144.01198	2.0
145.05005	2.8
145.10172	2.6
147.11703	2.7
149.13203	7.5
153.01839	9.0
159.11694	4.3
161.06004	2.7
161.13298	1.5
162.02194	3.1
169.05058	2.3
170.05821	2.3
173.13242	3.4
175.07538	1.6
175.14828	6.0
181.05005	2.3
186.07602	1.6
189.12723	2.3
191.14288	3.5
193.15924	9.6
200.07210	1.5
204.08708	5.6
208.16986	3.0
209.15448	8.8
216.17598	2.0
222.09769	6.4
226.18114	5.5
234.18544	6.5
235.06024	2.2
237.02914	2.1
252.19597	100.0
253.07109	4.7
253.10962	1.8
253.19858	1.8
270.20624	9.2
287.10452	2.0
351.90298	1.5
388.23456	1.7
403.13986	3.3
414.24847	4.5
432.20032	7.4
432.25943	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
53.34303	1.4
55.05506	5.9
56.05040	2.9
57.03436	1.8
57.07068	1.9
58.06598	4.8
61.02922	2.0
62.41761	1.4
67.05505	7.3
69.03428	7.3
69.07066	10.0
70.06596	9.8
70.13530	5.7
71.04997	2.8
72.08159	2.6
78.77924	1.2
79.05499	4.3
81.03427	4.0
81.07059	5.5
83.04964	3.8
84.04522	2.0
84.08158	1.9
85.02911	10.4
86.06083	2.5
86.09721	1.8
87.04491	2.3
88.11304	1.3
90.52619	1.3
91.05486	4.4
91.53738	1.3
93.07052	9.4
95.04963	2.8
95.08615	15.9
96.08110	6.1
97.02895	5.3
97.06537	3.9
98.06067	2.3
98.09700	2.2
98.97598	2.0
99.04453	2.7
105.07041	8.5
107.08598	16.4
108.08109	4.0
109.06511	3.4
109.10160	13.2
110.09735	3.2
111.08091	1.4
119.08593	8.8
120.99411	1.4
121.10157	15.6
123.08077	5.1
123.11718	4.6
124.07609	1.5
127.03916	2.4
129.07080	1.4
131.08548	5.5
132.66931	1.5
133.10144	10.5
135.08095	1.6
135.11667	7.3
137.09662	4.8
137.13251	1.7
139.03790	1.4
145.04933	1.6
145.10144	2.1
147.11697	2.4
149.13268	6.0
158.10878	1.6
159.11664	3.8
163.14845	2.3
173.13292	4.3
175.11160	1.8
175.14819	5.6
189.09106	2.8
191.14290	3.8
193.15910	5.1
204.08681	5.6
208.16917	2.5
209.15370	6.6
222.09781	4.2
226.18094	4.0
234.18504	5.1
235.09697	7.4
252.19597	100.0
253.10754	2.7
253.19928	2.3
270.20584	5.0
332.03436	1.5
414.24442	2.1
432.26416	43.1
433.16656	2.7
433.25342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01871	1.8
55.05508	11.5
56.05037	11.0
57.03433	5.7
57.70385	1.4
58.06591	5.2
58.99586	20.1
59.05003	3.8
61.02935	2.8
61.30996	1.6
67.05508	10.1
69.03436	15.1
69.07063	7.0
69.80729	10.8
70.06575	2.3
71.04995	5.8
73.01147	2.3
73.02924	3.2
74.06068	3.7
76.02231	7.4
76.03999	4.4
79.05480	6.9
81.03421	5.5
81.07064	33.4
82.06586	2.0
83.04980	6.0
83.08645	1.7
84.04513	26.7
84.08148	3.5
85.02914	15.8
86.00648	3.7
86.06071	3.0
86.09681	2.4
86.99046	14.1
87.04476	2.2
88.02229	4.5
91.05482	5.6
93.07070	12.0
95.04974	5.1
95.06100	4.3
95.08614	20.2
96.04486	2.6
96.08132	5.5
97.01105	1.7
97.02892	11.3
97.06539	4.2
98.06090	2.9
98.09702	6.9
98.97593	2.8
99.04480	10.9
99.08102	6.3
105.07048	10.5
107.04980	1.7
107.08598	15.4
108.00616	1.7
108.08121	5.5
109.02881	4.7
109.06509	7.5
109.10183	12.8
110.09716	8.8
111.04439	3.9
111.08084	2.2
113.04259	3.5
114.05527	2.8
115.95510	1.7
116.01688	77.5
117.07017	5.0
119.08599	11.1
121.06531	3.0
121.10132	10.0
122.09676	4.7
123.08052	4.7
123.11692	1.8
126.09148	2.1
127.03922	8.1
129.06627	5.2
130.05051	2.4
131.05182	3.5
131.08545	6.5
133.10130	12.0
134.09668	2.1
135.08087	3.4
135.11690	8.1
136.11143	2.2
137.05910	3.8
137.09628	12.4
138.09158	2.4
139.03909	4.9
139.05737	2.4
142.03194	2.6
143.07077	2.5
144.01160	35.6
145.04924	4.2
145.10129	4.6
147.11670	2.6
148.05246	2.0
149.13264	2.7
151.11139	2.4
153.09099	4.7
155.03403	5.3
156.08406	5.7
157.06793	9.7
159.11702	7.2
160.11214	2.2
161.13217	3.3
162.02213	100.0
163.07549	3.2
167.05304	3.5
170.05717	17.1
171.06430	3.1
173.13255	4.8
174.09488	3.2
175.14830	5.5
175.82361	1.9
177.12689	1.9
178.12305	5.7
179.10654	3.8
184.07947	16.2
189.09122	4.6
190.15976	2.2
191.14362	3.8
193.15913	4.1
194.49780	1.5
195.06516	2.8
201.10591	30.3
204.08698	7.1
208.17024	2.5
209.15486	3.3
216.17513	5.0
222.09760	6.2
234.18576	28.9
235.09729	7.1
235.16887	8.5
252.19603	38.3
253.10759	2.5
253.17754	2.1
260.09525	7.7
270.20663	5.5
279.08618	2.1
287.10626	54.8
304.13266	54.3
305.08896	2.0
358.14383	24.0
414.24878	24.3
416.15265	2.1
432.26007	48.1
433.17664	13.8
433.26416	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	431.3159
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
56.08512	0.5
59.63633	0.4
60.23711	0.4
65.03957	1.1
69.07058	0.6
69.29509	5.3
78.47396	0.5
81.07069	1.0
91.04966	0.8
91.05493	10.8
95.08608	0.8
98.20767	0.8
119.04955	25.6
141.19777	0.5
147.04424	100.0
148.04803	1.3
165.05492	1.6
172.24599	0.5
227.46835	0.5
251.58359	0.5
272.08597	0.4
313.92282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00402	0.4
65.03928	1.3
67.05514	0.5
81.07040	0.9
91.05485	10.3
95.08607	0.8
109.10165	0.6
119.04951	25.3
126.90741	0.4
135.34045	0.4
139.68170	0.5
147.04417	100.0
148.04784	1.0
149.04048	0.4
151.06284	0.4
165.05481	1.5
180.68710	0.4
203.54268	0.5
297.47403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01880	0.7
55.05511	3.5
56.96565	0.9
57.03446	1.0
57.07074	1.2
61.02931	0.6
65.03950	0.5
67.05175	0.5
67.05509	7.6
69.03435	1.1
69.07076	4.3
69.39280	4.2
69.39702	0.9
71.08623	1.1
73.02904	0.4
79.05511	3.7
81.03426	1.4
81.07065	7.9
83.04980	0.7
83.08617	2.2
84.79685	0.5
85.02920	0.6
85.06580	2.4
85.10156	0.6
91.05473	2.7
93.07052	3.6
95.04984	1.5
95.08611	13.3
97.02893	0.7
97.06523	0.6
97.10172	1.7
98.20692	1.0
98.97911	0.5
98.98476	2.2
103.05527	0.5
105.07044	3.0
105.27476	0.5
107.04961	1.2
107.08588	2.6
109.06512	0.9
109.10161	4.1
111.04472	1.2
111.11730	1.5
117.07039	0.8
119.08588	2.5
121.06538	0.7
121.10129	1.4
123.08076	10.2
123.11726	2.1
123.52484	0.5
125.06017	0.6
127.03905	0.7
129.07004	0.7
131.08575	1.0
133.10133	1.2
135.08058	3.1
135.11708	0.9
137.05959	0.6
137.13246	1.0
139.03961	0.9
143.08582	0.6
145.10132	1.7
147.11693	1.6
149.09616	1.3
149.13229	0.9
151.07555	100.0
152.07932	0.7
159.11739	1.0
161.13264	1.7
163.07507	0.6
163.11142	1.3
165.09142	1.4
165.12762	1.3
167.07092	0.6
172.08484	0.5
173.09599	0.7
175.07619	0.7
175.11186	0.7
175.14763	0.8
176.08347	0.9
177.05537	0.6
177.09106	5.3
179.14319	0.6
181.04964	0.8
181.08626	0.7
189.09152	1.4
190.10057	0.6
191.10690	16.1
203.10765	0.5
205.12248	4.7
207.13893	0.6
217.12167	0.9
219.13916	1.0
231.10828	0.5
231.13884	1.1
241.19499	0.9
242.84543	0.5
259.20575	2.5
260.21042	0.5
267.09128	0.5
277.21649	2.6
293.28320	0.6
333.24326	1.7
369.54974	0.5
378.27658	1.1
413.34497	1.3
431.18127	1.1
431.35263	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
53.66130	0.5
55.01838	0.6
56.96554	1.6
59.06115	0.6
60.04519	0.7
61.02910	0.7
69.03428	1.0
70.06590	1.1
71.57955	0.7
78.78848	0.5
79.05489	0.7
81.03402	0.9
84.04499	0.7
85.02901	2.8
87.04502	0.6
89.06047	0.6
91.05799	1.4
93.07043	1.1
95.04949	1.6
97.02862	1.0
98.97583	2.1
98.98478	0.7
101.07086	0.5
103.05462	6.0
107.04966	1.3
110.97564	0.6
116.98653	1.5
120.08105	100.0
121.08461	1.5
123.04416	4.6
124.04822	0.9
124.20444	0.5
127.03934	1.3
128.98587	1.3
131.04922	2.9
132.04454	6.5
134.99661	0.8
136.06171	3.9
139.03867	0.8
141.06819	0.5
145.04916	0.9
146.99644	1.5
148.03970	1.1
149.05978	2.1
158.99721	0.6
161.01323	0.6
163.77534	0.5
166.08636	51.3
177.00632	0.8
219.01807	2.2
234.99219	0.6
237.02789	4.0
242.37967	0.5
248.02129	1.1
268.12570	0.7
298.09875	0.6
389.07599	2.3
430.13535	6.8
430.19135	1.2
448.67224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
55.05516	2.0
55.64774	1.2
56.61866	1.2
57.07061	4.5
58.70243	1.2
67.05490	4.2
67.49422	1.1
69.07061	3.1
70.17894	1.8
70.18232	5.3
71.08630	2.0
79.05501	2.5
81.07046	1.9
83.08627	1.6
93.07006	1.6
95.04940	2.6
102.56947	1.4
107.04947	2.2
109.06532	1.5
110.03656	3.9
110.64492	1.3
111.04440	3.8
118.29683	1.3
123.04437	83.2
125.06000	16.5
127.08751	1.3
133.69078	1.3
137.05994	30.3
151.07565	2.7
193.05081	1.6
207.01050	1.3
291.37079	1.5
429.30679	100.0
430.30750	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.25801	0.6
55.05498	2.3
57.07075	17.2
67.05505	4.4
69.07057	4.1
69.64172	0.6
70.92716	1.2
71.08631	11.4
79.05481	1.8
81.07063	7.2
83.08612	2.5
85.10175	5.7
91.05464	1.9
93.07021	1.9
95.08619	7.7
97.10180	2.2
105.07015	2.6
107.08611	4.9
108.34821	0.6
109.10152	5.1
111.04414	1.3
111.11691	1.7
119.08594	4.2
121.06467	1.0
121.10148	4.1
122.07233	1.2
123.11689	2.0
125.13291	1.1
129.06953	0.9
131.08565	2.2
133.10139	1.0
135.08051	5.1
135.11674	2.7
137.09604	10.9
137.13260	1.1
139.07542	1.9
145.10101	2.7
147.07965	0.9
147.11710	0.7
149.09634	15.4
149.13145	0.7
151.07552	1.3
158.10921	0.8
159.11697	2.4
161.09547	1.1
162.06664	1.1
163.07457	0.8
163.11180	21.4
164.08307	0.9
165.09116	100.0
166.09467	1.4
173.09605	2.3
173.13242	3.0
175.11174	5.1
176.08301	1.3
177.09108	10.5
177.12730	2.0
179.10652	1.5
185.97688	0.7
186.10362	1.2
187.11102	3.5
189.09100	0.8
189.12756	2.0
190.09929	1.8
191.10692	10.3
191.14172	0.7
201.12767	3.2
201.16428	0.7
203.10693	1.5
203.14330	0.8
204.11517	1.4
205.12228	10.1
215.14310	1.3
219.13779	5.5
229.15984	0.9
233.15337	2.4
242.39314	0.7
247.16933	1.6
261.18539	1.3
275.20117	0.9
289.21664	1.5
303.23218	2.1
317.24796	1.1
331.26089	1.0
345.27795	0.9
352.73187	0.7
394.61829	0.7
401.34222	2.6
411.35986	2.2
429.37292	61.0
430.37634	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	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57595	4.5
53.03940	7.2
55.01871	14.1
55.05516	27.8
56.96583	6.0
57.03434	13.2
57.07061	4.5
67.05510	37.8
69.03439	27.4
69.07069	20.8
71.05003	6.6
71.60415	4.6
73.02917	3.8
79.05499	41.9
81.03420	68.1
81.07066	82.4
83.04993	19.1
83.08627	32.8
85.02927	22.3
85.06545	4.8
87.04449	3.7
91.05468	31.0
93.07043	25.0
94.35935	4.6
95.04986	27.6
95.08620	27.9
97.02889	48.2
97.06551	8.9
97.10159	7.7
98.98483	21.9
99.04439	4.5
105.07041	34.4
107.04947	12.8
107.08601	22.4
109.02907	11.0
109.06529	29.3
109.10172	9.2
111.04453	6.9
111.08084	16.6
115.80617	3.9
117.07027	7.8
119.08587	26.9
121.06413	5.8
121.10176	11.8
123.08043	5.1
123.11662	10.4
125.09674	5.6
127.03923	15.8
129.07005	9.1
131.08592	16.7
133.10143	17.9
135.08086	6.8
135.11707	4.7
137.05962	29.7
145.10127	12.3
147.08127	4.0
147.11687	26.4
149.02353	6.5
149.09634	11.3
149.13269	6.6
151.07562	9.7
155.01080	22.7
155.08461	4.2
157.10129	17.8
159.11781	6.4
163.07597	9.6
163.11205	11.5
165.12747	19.3
167.05576	3.8
173.09691	4.1
175.11212	15.8
177.09091	21.7
183.06607	4.1
189.09201	4.8
191.10655	15.0
193.05013	8.0
193.12276	51.3
203.10762	3.8
211.13304	75.9
229.07393	4.0
231.10016	4.0
247.71722	4.6
257.19052	8.5
267.16016	7.3
275.20056	54.1
285.17038	12.3
319.13025	7.4
369.97113	5.2
384.89096	4.0
393.18964	5.5
411.29044	9.5
429.11823	9.8
429.21115	100.0
429.30020	12.3
445.77304	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	429.2122
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03942	6.7
54.11792	1.3
55.01883	3.5
55.05507	12.1
57.03440	12.6
57.07070	1.4
61.02919	2.2
62.37799	1.4
66.74374	1.4
67.05509	15.5
69.03082	1.8
69.03435	25.0
69.07067	7.3
69.34254	16.2
71.04987	6.5
73.02917	2.5
79.05495	14.2
81.03419	76.7
81.07059	17.3
83.04987	15.0
83.08622	22.0
85.02907	20.9
87.04487	1.9
90.60796	1.3
91.05475	17.0
93.07037	12.4
95.04968	21.5
95.08609	9.3
97.02897	49.5
97.06532	3.8
97.10181	7.1
98.20776	3.2
99.04467	6.0
101.02356	1.4
105.07021	11.4
107.04962	5.2
107.08607	10.3
109.02873	13.4
109.06548	4.1
109.10178	4.3
111.04442	9.0
111.08104	10.2
119.08592	14.6
121.06526	3.5
121.10130	7.0
123.08076	5.2
123.11720	1.8
125.09638	3.1
126.02662	1.6
127.03925	14.0
129.05510	5.4
129.07048	7.1
131.08534	8.9
133.06494	3.1
133.10127	5.7
135.11742	2.2
137.06007	2.7
137.09593	2.1
143.08540	1.6
145.04984	2.2
147.08054	3.0
147.11655	12.5
149.09627	6.4
151.07545	19.5
153.09105	1.5
153.12761	1.7
157.10138	11.8
163.11127	1.7
165.12698	1.7
175.11191	15.5
181.12247	3.8
183.06540	2.3
189.09061	1.4
189.12781	1.6
191.10681	5.5
193.05045	3.0
193.12241	59.8
201.07741	1.8
203.10660	1.5
211.13297	98.2
227.12848	4.0
229.14372	4.9
235.13260	3.4
249.14876	7.7
259.13446	1.8
267.15906	3.7
273.14902	1.6
283.15445	1.4
285.16974	24.3
301.14307	3.8
309.16895	1.9
313.16522	2.7
319.15619	1.6
337.16461	2.4
355.17526	4.3
375.18143	2.4
410.02393	1.5
411.20609	6.4
429.21237	100.0
429.26318	3.5
430.21652	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	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94950	0.3
66.88881	0.4
70.82818	0.9
71.53616	0.4
75.15401	0.3
81.03366	0.5
86.06071	1.0
139.11972	0.4
139.73001	0.4
145.89842	0.4
154.81921	0.3
184.83897	0.3
189.09529	0.3
203.05264	2.1
233.46358	0.4
249.14572	0.6
251.51648	0.3
255.63544	0.4
266.31653	0.4
277.39819	0.5
318.81137	0.4
371.16644	1.4
429.20993	100.0
430.21368	4.0
435.54071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	4.9
55.01863	8.2
55.05503	11.9
57.03439	16.3
58.06630	2.3
61.02932	20.3
67.05506	27.4
67.38191	2.3
69.03431	12.9
69.07054	4.0
70.06574	9.4
70.96294	2.1
71.01331	4.3
71.04990	3.9
71.60032	4.3
73.02914	8.2
79.05485	20.6
81.03421	55.9
81.07060	22.0
83.04979	8.4
83.08638	13.1
85.02908	28.3
89.97269	2.7
91.03966	11.6
91.05437	19.5
93.07058	17.6
95.01335	4.7
95.04974	65.3
95.08609	10.6
97.02894	22.0
97.06545	3.0
97.10172	4.0
99.04446	4.2
103.03944	10.7
105.07026	18.9
107.04950	15.5
107.08587	11.0
108.94447	2.4
109.02880	13.5
109.06528	7.2
109.10145	4.9
111.04434	3.3
111.08058	4.3
111.21000	2.5
115.03935	3.9
115.05444	3.3
117.07010	8.8
119.04932	2.9
119.08577	13.4
121.06489	9.7
121.10159	7.4
123.04439	37.8
123.08080	7.0
125.09618	5.2
127.03925	6.8
129.05505	3.2
129.06995	8.9
131.04964	3.9
131.08583	11.4
133.06514	6.2
133.10144	6.1
135.08047	5.9
135.11696	6.9
137.06012	4.2
143.08571	2.9
145.06499	5.8
145.10165	12.3
147.04428	11.8
147.08047	10.8
147.11674	7.7
149.06030	5.0
149.09639	4.3
153.09109	3.7
155.08559	3.6
157.06544	2.8
157.10153	6.0
161.09624	4.2
161.13277	2.6
163.11235	17.9
171.11691	6.4
173.09590	4.7
175.11208	7.3
177.05432	4.0
189.05513	4.6
189.12819	7.6
191.10699	5.6
193.12262	22.9
205.12276	5.8
207.13858	7.3
211.13301	14.3
217.12212	6.2
219.13821	3.2
235.13277	54.2
242.02664	2.4
245.06343	3.0
249.14951	7.2
253.14204	6.2
259.13266	14.6
267.10370	3.8
267.15897	23.1
273.14844	23.6
277.14423	6.2
283.10159	3.7
289.14563	2.8
291.16110	3.1
301.14435	19.8
309.16943	29.3
319.15466	8.5
333.17068	4.5
337.16592	4.8
345.17053	2.9
351.18188	5.0
363.18127	3.8
375.18024	18.2
393.18967	12.8
411.19998	13.2
422.14139	2.7
429.21069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01872	1.4
55.05513	3.5
57.03444	3.9
59.50207	0.5
63.91967	0.4
67.05513	5.2
69.03432	8.2
69.07071	1.0
69.43108	0.5
70.06599	1.9
70.07462	2.7
71.04992	2.2
73.02909	1.5
73.06549	2.3
73.95850	0.5
79.05504	4.3
81.03424	18.8
81.07056	7.1
83.04986	4.5
83.08629	4.1
85.02921	5.6
85.06569	0.6
85.32062	0.5
86.09721	1.2
91.05457	5.4
93.07059	3.2
95.04978	6.8
95.08620	3.0
97.02904	11.8
97.06531	1.8
97.10191	0.6
98.97586	1.0
99.04460	2.0
103.03961	0.8
105.07056	4.7
107.04964	2.2
107.08607	2.2
109.02900	4.0
109.06557	1.3
109.10168	1.0
111.04465	2.1
111.08104	2.1
113.06110	0.5
116.98618	1.1
117.07050	1.0
119.08621	3.4
120.08110	1.7
121.06496	0.8
121.08444	0.8
121.10163	1.9
123.04414	1.1
123.08097	1.6
123.11745	0.8
127.03919	5.1
128.06221	0.5
129.05499	0.6
129.07005	1.8
131.05002	0.7
131.08569	2.1
133.06494	1.1
133.10159	2.4
134.99734	1.0
135.04436	0.9
135.08086	0.8
137.05969	0.7
139.03912	1.9
145.04977	1.2
145.06409	0.6
145.10155	1.2
147.04420	1.9
147.08029	0.9
147.11737	4.7
149.02328	0.6
149.05930	0.7
149.09712	1.3
157.10196	2.5
163.03909	3.4
163.07562	0.6
163.11140	1.0
165.12837	1.0
174.05580	0.7
175.11182	2.9
177.00696	0.6
177.05467	0.8
181.12273	0.6
183.06627	0.7
187.11137	0.6
189.00626	0.5
193.12256	12.7
198.03342	0.6
201.56851	0.5
203.05278	0.7
211.13315	18.4
211.15273	1.1
227.12805	0.8
229.14423	1.0
235.13293	1.3
237.02814	1.3
249.14806	3.7
267.15887	5.3
285.16983	3.5
309.13715	0.9
309.16830	1.3
337.16690	0.8
339.25998	0.6
382.95230	0.5
411.20074	2.7
413.10583	0.7
422.98572	0.6
429.21106	100.0
430.21274	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	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.7
57.05220	0.4
69.03416	1.4
70.06597	3.8
71.59268	0.6
71.59650	0.7
72.08154	0.9
73.08480	0.5
79.05482	0.8
81.03407	1.5
81.07053	0.8
81.29388	0.4
84.08135	1.2
85.02937	2.4
85.03384	0.5
86.09704	0.7
89.19994	0.5
91.05801	1.7
95.04939	0.8
97.02880	1.0
98.97590	1.1
102.97638	0.5
105.07022	0.6
109.67361	0.5
116.07110	0.6
116.98621	1.6
123.04412	1.4
127.03883	0.6
132.04456	1.0
134.99660	0.6
137.05968	0.6
139.03932	0.8
145.04979	0.6
146.99667	0.9
147.04454	0.9
151.03912	0.7
158.65598	0.5
165.09132	0.5
167.05632	1.3
167.06990	0.6
175.11961	1.0
203.05186	1.0
219.01822	0.8
237.02859	1.8
246.04297	0.7
249.14677	0.8
271.36066	0.5
285.06540	0.7
303.07562	0.6
327.07541	0.7
359.02930	0.9
371.16772	2.2
407.03287	0.8
411.19946	2.6
429.13977	4.2
429.21002	100.0
430.21365	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	429.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.05492	7.2
56.96338	2.7
56.96562	30.3
57.03415	5.9
61.02910	4.9
66.03255	2.2
67.05483	6.7
69.03404	9.6
70.06566	3.5
70.73685	3.2
70.74020	4.9
70.97439	2.0
71.04974	4.7
71.22425	2.6
73.02882	3.4
75.23335	2.3
79.05466	5.5
81.03401	9.5
81.07039	2.6
83.04969	6.3
83.08588	2.8
85.02877	9.2
85.06521	3.3
86.09704	3.1
86.13750	2.1
87.05569	2.9
91.05422	4.2
93.07022	4.9
95.04971	12.5
95.08585	5.9
97.02873	7.0
97.10190	2.7
98.97590	30.0
99.68336	2.3
103.03889	4.5
105.06993	8.2
107.04919	6.6
107.08530	3.9
109.02853	5.5
109.06541	2.6
109.10071	3.0
111.04396	3.2
116.98609	23.0
117.06999	2.6
119.08552	5.0
121.06459	4.1
121.10103	4.6
123.04441	11.2
123.11611	2.8
127.03897	4.1
128.98665	3.6
133.06471	4.1
133.10097	3.0
134.99646	12.6
135.04483	2.8
137.09554	2.5
139.03893	4.2
145.04929	6.6
145.10023	4.2
146.03589	3.4
146.99654	2.6
147.04417	4.0
151.03987	3.3
158.99606	6.7
161.05943	5.8
163.11172	2.4
167.06999	5.1
169.05109	2.9
171.03227	9.4
177.00644	7.9
178.06238	4.7
189.04315	27.6
191.06970	3.7
193.08612	5.2
193.12221	2.9
203.05827	8.6
207.05327	15.9
211.06398	12.5
219.01625	3.3
221.06926	5.1
229.07407	7.7
233.08321	5.1
235.13193	9.8
237.02747	6.5
243.08983	2.4
249.07410	3.3
249.11554	9.3
249.14035	2.7
250.17902	3.5
259.13034	2.5
267.12708	45.5
267.15433	4.4
268.12625	3.2
273.14929	5.8
278.98935	2.3
285.13736	92.2
290.14240	4.5
293.10156	2.5
301.14108	4.4
303.14682	13.9
308.15195	5.5
309.13730	89.6
309.16962	8.2
327.14777	74.6
327.18701	3.8
340.31772	2.9
348.97501	2.8
350.16364	9.3
369.15997	12.6
375.17789	5.7
393.18866	3.7
399.19992	3.0
411.19937	5.5
429.18756	100.0
430.18964	3.1
447.19022	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90044	2.2
53.03940	2.8
55.01868	4.6
55.05515	4.1
55.86276	1.8
56.96568	3.5
57.03439	11.4
57.07071	4.6
58.07375	1.9
61.02930	6.7
67.05505	4.9
69.03437	24.4
69.07067	2.3
70.03773	2.5
70.06585	9.7
71.01371	2.2
71.04985	10.5
71.15115	4.9
72.08170	3.5
73.02934	6.5
78.60764	1.8
79.05518	5.1
81.03423	26.7
81.07056	10.0
83.04999	3.0
84.08143	4.8
85.02905	22.4
86.03249	2.7
86.09712	3.9
87.04484	9.1
91.05431	2.7
91.05867	3.0
93.07049	3.0
95.04973	9.4
95.08625	4.3
97.02896	17.7
98.03231	3.0
98.97599	5.3
99.04462	14.2
105.07051	2.2
107.04978	8.5
107.08607	2.7
109.02892	9.0
111.04507	2.6
115.03966	10.3
116.04303	4.1
116.98655	3.6
117.05518	3.6
117.07000	3.6
117.09135	11.8
118.09485	6.2
119.04989	2.2
119.08562	3.3
120.08129	3.7
121.02842	1.9
121.06525	2.0
123.04457	9.0
127.03938	5.7
131.08583	2.1
133.04951	11.6
133.10126	2.2
134.05325	3.0
134.99750	2.2
135.04489	3.5
135.09206	6.4
137.05992	2.5
139.04005	4.8
145.04997	3.6
145.10130	2.6
146.99696	3.0
147.04466	5.2
147.08052	2.8
147.09167	51.4
148.06343	1.9
149.06036	3.1
151.03899	2.1
152.07098	1.8
158.09283	1.8
162.07938	4.6
163.03949	3.3
163.08676	67.5
167.05673	2.9
169.54851	1.9
175.08687	86.1
177.00813	2.5
177.05594	2.9
189.10306	5.8
189.12798	3.2
193.05006	2.8
195.02995	4.8
201.10252	2.1
205.09767	6.2
206.08174	2.7
207.13818	3.1
208.09711	4.2
209.10117	4.7
215.11902	4.4
221.04611	2.3
231.02893	3.0
235.13290	11.1
237.02927	5.4
243.11404	7.3
249.04068	4.6
249.15199	3.0
261.12405	2.6
267.05072	7.6
267.08823	3.3
267.13950	3.2
268.08264	2.9
271.16821	2.7
273.15012	3.6
279.13382	21.5
291.05304	3.2
297.07742	6.4
297.14468	63.1
297.17651	3.8
300.10648	3.7
301.14380	2.7
309.17130	4.5
322.14032	13.3
323.12451	10.1
323.22690	2.8
340.15115	32.9
342.16858	6.4
349.07510	2.5
351.08804	5.5
359.02994	2.7
375.17703	2.4
386.15704	7.0
411.20026	7.7
429.15939	9.8
429.21173	100.0
429.74661	1.9
447.19238	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	429.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
56.96558	1.8
57.60215	0.8
61.02914	0.8
69.03394	1.6
69.07069	1.5
70.06564	1.6
71.57988	1.1
71.58385	0.8
73.06551	0.9
80.05093	0.7
81.03389	1.5
84.96033	0.8
85.02901	5.3
87.08058	1.4
88.91940	0.8
91.05814	4.1
95.04966	2.9
97.02892	2.2
98.97585	3.8
116.98630	2.8
120.08123	0.9
123.04426	11.9
127.03911	1.5
132.04445	12.9
133.04813	1.7
136.06186	1.6
139.03912	1.4
143.00169	0.8
146.99670	1.2
148.03972	4.1
155.04617	1.0
158.99631	1.6
161.01265	0.9
161.04547	1.2
167.05568	1.9
177.00717	2.6
219.01794	2.2
222.00623	0.9
237.02795	3.8
278.10297	3.6
321.08710	1.2
341.50479	0.9
359.03024	4.2
387.06207	1.4
429.13718	100.0
430.13974	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	428.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.01866	4.1
56.05033	3.8
57.03442	5.5
58.06607	3.1
59.06129	23.9
60.04532	16.2
61.02914	10.5
68.05000	2.6
69.03436	29.7
70.06589	5.0
71.04990	3.9
71.58835	3.2
72.04499	2.6
73.02912	6.7
74.06076	2.4
79.05498	2.7
81.03419	13.1
82.06582	3.3
83.06120	12.1
84.04496	8.4
85.02910	60.5
85.06558	2.4
85.07663	12.1
86.06069	3.3
87.04507	3.2
87.05603	7.3
90.26606	2.4
91.03968	2.2
94.06593	3.7
95.04975	13.4
97.02889	26.0
98.97601	4.6
99.04440	6.1
99.05588	7.3
101.07153	16.0
102.05553	3.2
104.05027	3.8
106.06554	5.4
107.04947	3.3
109.02879	9.3
110.06052	6.5
111.04448	3.3
116.05031	3.3
116.98608	2.5
118.06561	3.3
119.06060	3.0
120.04495	2.8
120.08082	2.5
122.06087	3.8
123.04431	24.5
126.05567	3.1
127.03923	14.4
132.04456	54.7
133.04735	2.7
133.07611	2.4
134.06027	9.4
135.04482	3.5
145.04982	8.8
145.07607	3.8
146.06075	3.7
147.05579	5.9
148.03925	9.2
148.07600	5.7
149.07137	8.2
151.06248	2.3
152.07039	3.6
157.07545	2.6
158.05989	3.3
158.99596	3.0
159.05630	3.6
161.07124	5.5
162.05518	7.2
162.07831	3.0
171.05560	5.6
174.07861	2.8
175.08698	7.4
176.07063	4.2
176.97037	2.6
177.10147	2.5
185.07121	8.9
189.06595	5.8
191.08231	3.7
192.06586	4.5
193.09831	4.4
202.09766	2.7
203.08192	6.2
204.08849	2.7
207.07773	5.3
208.06267	2.9
212.08243	3.4
213.06592	4.1
219.01796	3.8
221.09247	7.0
223.07065	2.6
225.08676	4.0
230.09279	8.0
231.07741	4.4
236.99039	4.8
239.10289	6.1
248.10344	45.7
249.08650	7.3
255.00162	2.7
266.08487	5.1
266.11380	100.0
341.01740	3.7
392.14432	3.5
401.15466	3.6
409.02063	2.5
410.07358	2.5
410.15628	12.6
411.14169	3.3
428.11349	4.2
428.16547	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	429.1159
Annotation	Venkatasin
Peak:m/z	Relative Intensity
55.19460	0.4
69.03420	0.5
70.06595	0.6
71.11871	0.7
72.14107	0.4
85.02898	0.4
91.05480	3.7
97.02890	0.4
137.05972	0.5
150.40442	0.3
159.00429	0.5
163.03929	0.7
176.00850	0.6
185.04243	4.6
239.08665	0.3
266.05444	2.5
267.06335	3.6
283.63437	0.4
294.05414	0.4
312.52393	0.4
429.11594	100.0
430.11899	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	427.2847
Annotation	Sargachromanol G
Peak:m/z	Relative Intensity
53.03951	0.3
55.01872	0.3
55.05521	1.2
57.07059	0.3
60.63346	0.2
63.04143	0.2
65.03935	0.8
67.05514	2.0
68.99789	0.8
69.07072	1.4
71.35127	0.4
75.78932	0.2
79.05498	1.5
80.00955	0.1
80.59320	0.2
81.07063	2.7
82.22578	0.2
83.08617	0.6
91.05481	2.8
93.07056	0.4
94.04176	0.2
95.04987	1.3
95.08600	0.6
97.10172	0.4
105.07072	0.2
107.04937	1.0
107.08622	0.3
109.06522	3.7
119.04948	0.5
121.06526	0.5
121.10137	0.3
123.04435	38.0
124.04803	0.3
125.05981	1.3
131.08586	0.2
133.06436	0.2
135.08101	0.5
137.05983	100.0
138.06311	1.2
147.04411	0.6
149.05991	4.9
151.07550	1.3
162.69807	0.2
163.07541	3.9
163.08792	0.3
165.09032	0.2
177.09169	0.7
184.07341	0.2
203.12808	0.3
244.06660	0.2
303.23224	0.4
305.24780	0.4
306.23181	0.2
343.88614	0.2
374.21292	0.2
427.28479	33.4
428.28995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01883	3.1
56.05040	3.4
56.15767	2.5
57.03431	7.6
59.06126	22.7
60.04530	12.7
61.02929	6.5
69.03432	28.1
70.58894	2.7
71.04990	3.2
71.60146	5.0
73.02906	5.2
79.21825	2.5
81.03435	9.4
82.06597	4.6
83.06107	12.3
84.04512	6.3
85.02911	50.9
85.07658	11.4
86.06050	3.9
87.04476	5.1
87.05591	6.5
91.03962	6.5
94.06580	2.9
95.04962	15.2
97.02893	25.1
98.97616	7.0
99.04476	7.3
99.05589	10.5
101.07134	15.4
104.04974	3.4
107.04975	5.5
109.02877	9.8
110.06051	4.0
111.04483	3.5
118.06548	3.9
120.81883	3.2
123.04436	24.8
127.03958	12.7
132.04462	47.0
133.07614	2.6
134.06018	5.1
135.04465	4.2
139.03932	6.2
145.04964	11.3
147.09215	3.3
148.03931	7.4
148.07559	4.2
149.07108	6.9
150.05479	3.9
152.07054	4.1
155.55037	3.0
157.07632	3.0
161.07141	6.9
162.05522	7.0
163.03847	4.0
163.08797	2.5
171.05531	4.4
172.06316	2.5
173.07104	3.8
175.08655	4.2
176.07022	5.8
185.07074	2.7
189.06618	9.0
193.09657	3.7
202.09846	6.9
203.08136	7.7
204.08586	3.1
207.07724	6.1
212.08289	3.5
221.09270	7.5
225.08879	4.2
230.09305	12.1
231.07764	4.0
236.99020	3.8
239.10291	8.8
248.10333	48.1
249.08722	6.9
255.00023	3.5
266.11386	100.0
309.44330	3.1
360.71143	2.7
410.15649	12.8
425.17764	2.9
428.16592	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	427.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25632	6.3
55.01866	8.2
55.05511	23.3
56.96579	6.8
57.03450	7.8
67.02305	6.4
67.05501	24.3
67.72482	7.5
69.07066	26.1
71.59906	12.9
71.72507	7.4
79.05513	37.1
81.03445	7.9
81.07069	74.8
83.08625	15.4
85.47206	7.1
91.05490	30.1
91.18658	7.3
93.07047	38.1
95.04982	17.8
95.08615	20.3
99.54510	7.3
105.07053	34.2
107.04927	10.0
107.08593	17.9
109.06538	36.0
109.10175	15.6
119.08596	21.5
121.10136	14.2
121.20251	7.3
123.08088	9.2
123.11724	10.8
131.08562	12.7
133.10136	11.8
135.11717	11.1
145.10126	19.3
147.08028	8.9
147.11693	24.3
157.10194	7.1
159.11717	11.0
163.11156	8.1
169.10146	6.3
193.12195	8.5
203.12938	10.4
243.02344	7.4
247.20589	7.2
257.18991	10.6
275.20111	100.0
293.21091	38.6
316.37601	6.8
349.16769	7.9
357.13419	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	427.2845
Annotation	Sargachromanol G
Peak:m/z	Relative Intensity
53.03934	0.9
54.27954	0.4
55.01871	0.8
55.05498	1.9
55.86216	0.5
56.23118	0.4
56.96585	0.5
57.07060	0.8
62.06339	0.5
65.03948	0.6
67.05502	3.5
68.99787	2.3
69.07056	1.7
69.32641	2.6
69.33066	1.8
71.08614	0.5
79.05492	2.6
81.07058	6.9
83.08604	0.9
91.05464	3.4
93.07039	1.9
95.04951	2.9
95.08606	2.1
97.10174	0.9
105.07042	0.8
107.04938	1.9
109.06535	4.7
109.10127	0.5
117.07009	0.7
121.06482	3.1
123.04431	55.0
123.62867	0.4
125.06000	3.8
131.08585	0.5
135.08066	0.8
137.05977	100.0
138.06317	1.6
143.94673	0.4
149.05984	12.1
149.07120	0.9
151.07562	2.6
151.70721	0.5
157.11128	0.4
163.07541	4.4
165.09126	0.6
168.50674	0.4
177.09151	0.8
178.72751	0.5
184.96938	0.4
203.12810	0.9
252.41806	0.4
303.23285	0.7
317.24701	0.5
328.56970	0.5
364.11935	0.4
427.28491	50.1
428.28836	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1943
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
53.46522	0.3
67.05496	0.8
69.03419	0.8
69.59673	1.1
69.60096	1.0
70.06589	0.4
72.08127	0.3
78.92302	0.3
79.05474	0.6
81.03382	0.3
81.07054	0.7
85.02908	1.6
91.05487	0.4
93.07035	0.4
95.08617	0.3
97.02923	0.5
98.20805	0.6
98.97562	0.6
99.04480	0.3
105.07013	0.5
107.08605	0.4
109.02877	0.3
109.10150	1.2
110.10543	0.4
116.98618	0.6
120.08862	0.3
124.07623	0.4
127.03917	0.4
128.05496	0.3
139.03940	0.3
147.11705	0.4
147.35023	0.3
156.09502	0.3
159.11774	0.3
163.11165	0.7
165.05336	0.3
167.07109	0.3
173.11746	0.3
178.62038	0.3
203.05322	0.7
229.14377	0.8
230.14612	1.4
247.13002	0.8
247.16924	1.6
265.07150	0.3
265.10864	0.5
265.14166	1.8
427.19418	100.0
428.19830	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	427.1942
Annotation	(-)-Ixerin J
Peak:m/z	Relative Intensity
50.52323	0.4
53.23599	0.4
55.01851	0.6
55.05502	1.2
56.96549	0.6
57.03435	0.7
57.07055	0.5
61.02919	0.7
67.05508	3.2
68.05840	1.1
69.03429	1.0
69.07066	0.8
70.06586	1.8
71.04967	0.4
71.15189	1.5
72.08154	1.6
81.03419	0.9
81.07048	1.4
82.66039	0.5
83.04980	0.7
84.08149	0.7
85.02905	4.2
91.05479	0.7
92.59898	0.5
95.04967	1.1
95.08609	0.6
97.02889	1.5
97.06493	0.6
98.97562	1.2
101.52636	0.4
105.07027	0.8
107.04967	0.8
107.08607	0.6
109.02870	0.5
109.10145	3.2
110.10487	1.5
111.04417	0.7
117.10269	0.7
119.04969	0.7
119.08571	0.7
121.10153	0.6
124.07600	1.2
127.03960	0.6
131.04907	1.2
131.08601	0.6
133.10100	0.5
137.05885	0.5
139.03911	0.7
145.04927	0.6
147.04462	1.3
156.34079	0.5
163.11116	0.6
167.06990	0.5
173.11804	1.2
174.12140	1.2
203.05336	1.0
203.12946	0.7
229.14430	3.1
230.14700	6.8
237.02882	1.3
247.13054	1.0
247.16896	1.1
249.07568	1.8
252.06526	0.5
265.10806	2.2
265.14191	1.8
311.23212	0.6
312.13525	1.4
373.58783	0.6
406.64459	0.5
423.00388	0.6
425.12048	0.5
427.19458	100.0
428.19833	6.0
444.50061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27282	0.5
55.05507	3.3
56.96553	1.5
57.03433	4.1
59.04991	2.2
61.02912	2.8
61.54499	0.6
62.09538	0.6
65.03912	0.7
67.05507	41.0
69.03416	2.8
69.07053	1.5
70.06576	1.5
71.04981	3.5
71.60239	1.0
72.08138	0.6
73.02914	0.9
77.40198	0.6
79.05478	1.8
81.03407	1.8
81.07060	5.7
83.08624	3.4
84.08179	0.8
85.02901	5.8
85.06537	1.3
87.00803	0.9
91.03948	1.4
91.05470	3.2
93.07045	3.0
94.02927	1.1
95.08612	3.4
97.02898	3.7
97.06511	0.6
99.04480	0.9
103.03968	1.6
105.07018	1.1
107.04940	1.3
107.08614	1.5
109.02862	1.2
109.06530	0.7
109.10160	53.7
110.10380	0.6
111.08080	2.3
115.03948	1.5
116.98632	1.5
117.07074	0.7
119.08587	4.9
120.08083	1.9
121.02834	0.7
123.04420	0.9
125.05972	0.6
127.03897	1.9
133.04939	1.0
135.07985	0.6
137.02313	0.8
137.05986	0.7
137.09601	2.1
139.03894	0.8
145.04970	1.7
155.10658	3.3
163.03880	1.1
167.07024	1.2
173.11748	26.9
174.12013	0.7
177.00729	1.1
224.07985	0.7
229.14363	100.0
230.14717	1.8
232.11514	1.3
239.09616	1.9
246.11305	1.2
247.15334	2.8
257.10605	1.3
264.12323	1.9
278.32022	0.6
301.13275	0.7
307.12418	0.8
324.07388	0.6
391.19687	1.1
426.18011	1.7
426.23535	0.8
427.16586	8.2
445.17282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
53.63469	2.5
55.01873	11.0
55.05521	27.9
57.03431	6.8
57.07068	6.4
65.03922	2.7
67.05509	96.4
69.03439	20.5
69.07074	25.0
69.97368	8.8
69.97775	4.9
71.01340	2.9
71.04997	6.9
71.08628	5.0
73.02925	6.1
79.05499	31.9
81.03417	25.4
81.07066	100.0
83.04991	4.7
83.08644	19.2
85.02912	6.6
85.06545	5.4
91.05485	21.0
93.07048	34.5
95.04990	5.7
95.08614	73.8
97.02904	70.9
97.06528	6.4
97.10165	10.9
99.04459	40.3
99.08104	4.6
105.07051	16.1
107.08621	20.7
109.02898	21.3
109.06539	2.5
109.10165	35.0
111.04428	4.2
111.08092	6.7
111.11712	2.7
117.07021	6.2
119.08566	14.8
121.10139	16.2
123.11719	13.6
125.09646	2.8
127.03923	53.5
129.07036	3.6
131.08580	5.5
133.10136	14.6
135.11687	10.2
137.13269	6.2
145.04959	9.0
145.06482	3.3
145.10089	2.9
147.11653	7.7
149.13252	9.9
151.14845	3.5
161.13264	10.5
162.91673	2.2
163.07550	3.7
163.14821	10.1
167.14336	2.2
173.13339	2.7
175.14816	8.7
189.16281	4.6
211.14803	2.4
229.15988	2.7
245.22711	10.2
261.22086	6.9
263.23703	51.3
275.23804	2.7
313.25525	2.6
331.26279	13.4
341.24808	7.9
359.25854	14.3
420.35754	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
56.16842	0.3
67.05521	0.3
69.03441	0.3
70.06590	0.5
71.59602	0.5
75.30155	0.3
81.03426	0.4
83.05034	0.4
85.02901	0.7
86.09716	2.4
93.07032	0.3
95.08630	0.6
97.02917	0.5
107.08561	0.4
116.98618	0.4
119.08589	0.4
122.65007	0.4
124.07655	0.4
127.03912	0.5
137.06070	0.4
141.05254	0.5
147.04462	0.4
153.01875	1.5
154.02185	0.5
162.02899	1.8
169.04736	0.8
185.90395	0.3
240.03366	0.6
241.03613	0.5
285.09454	1.0
318.01398	0.6
367.10101	1.2
425.14206	100.0
426.14471	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2688
Annotation	CHEBI:70189
Peak:m/z	Relative Intensity
53.03939	0.7
55.01863	1.0
55.05504	1.3
63.22265	0.3
65.03924	0.5
66.96744	0.3
67.05510	4.4
68.99787	5.0
69.07089	0.8
70.01578	1.5
71.04988	0.3
79.05498	2.4
81.07060	6.5
83.01344	0.6
83.05000	0.4
83.08627	0.9
86.09686	0.6
87.53091	0.3
91.05473	3.2
91.61558	0.3
93.07047	3.1
95.04974	2.0
95.08611	4.6
96.47044	0.3
103.05460	1.0
105.07020	1.4
106.07360	0.3
107.04966	4.5
107.08594	0.9
109.06507	1.9
109.10164	1.1
111.04426	0.4
115.05440	0.6
117.07027	1.4
119.08595	0.7
120.08916	0.4
121.06515	4.5
121.10173	0.9
123.04433	19.9
124.04768	0.4
125.06001	1.0
129.07054	0.3
131.08624	0.5
133.10109	0.7
135.08058	6.4
137.05983	43.6
138.06268	0.8
145.06499	0.8
145.10147	0.6
147.04439	1.7
147.08093	0.3
147.11621	0.5
148.05194	0.5
148.12054	0.4
149.05988	40.1
150.06332	1.1
151.07552	1.7
160.05176	0.4
161.06021	1.4
163.07549	100.0
164.07903	3.6
175.07593	0.8
177.09122	8.2
189.09140	0.4
191.10672	1.3
205.12241	0.5
275.20209	0.3
283.16910	0.9
284.17319	1.4
289.21689	0.4
301.21588	0.5
303.41269	0.4
315.23193	0.4
319.14734	0.4
340.23517	1.3
376.70605	0.4
419.86710	0.4
425.26880	22.7
426.27087	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1418
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
61.10285	0.3
67.05511	0.4
69.03416	0.6
70.06610	0.5
70.94382	1.1
76.70063	0.4
81.03413	0.5
81.07056	0.5
83.04963	0.6
85.02911	0.5
86.09715	3.2
95.08563	0.5
97.02885	0.6
109.85190	0.4
121.10132	0.4
124.07701	0.3
127.03925	0.4
132.04491	0.5
137.05933	0.5
141.05290	0.4
149.05974	0.4
153.01797	1.7
154.02156	0.6
162.02913	2.0
169.04768	0.9
207.25648	0.4
210.99307	0.3
240.03252	0.6
241.03706	0.8
278.26758	0.4
285.09491	1.0
306.08319	0.4
318.01486	0.4
367.10135	0.9
425.14178	100.0
426.14606	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	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52674	0.6
56.96560	1.0
69.03390	0.7
69.97088	3.0
70.06577	1.1
73.02903	0.6
82.99870	1.6
84.04506	0.9
84.08155	0.8
85.02900	1.5
88.73524	0.6
97.02904	1.6
98.97570	1.9
101.00879	8.3
105.00424	0.8
108.37261	0.7
109.02861	1.0
109.57278	0.6
111.56021	0.7
113.00874	0.9
116.98610	1.3
119.01920	24.6
120.02060	0.8
123.04411	2.3
127.02431	1.0
131.01918	8.3
131.96182	0.9
132.04422	1.1
133.03456	0.9
134.99625	0.7
137.02983	3.2
142.03500	0.7
143.01892	23.7
144.01956	1.0
145.03473	8.4
149.02980	1.4
155.01888	9.0
157.03470	5.9
158.99657	1.2
160.93144	0.7
161.02956	47.8
162.03059	2.3
163.03264	1.0
163.04538	2.7
167.01906	4.8
169.03505	2.4
171.05014	2.2
173.02960	22.6
173.97150	1.4
175.04486	2.1
177.00713	1.4
179.01894	3.1
179.04089	0.9
184.04552	1.9
185.02950	34.2
186.03107	1.2
187.04523	4.3
191.04034	4.9
197.02951	13.8
198.03047	0.8
199.04422	1.0
203.03992	13.9
204.04201	0.8
208.04659	1.1
209.02936	1.3
215.04004	7.9
219.01854	1.0
221.05103	1.9
222.00783	2.0
227.04063	6.0
237.02821	1.1
239.03992	0.8
240.01895	0.9
245.05070	100.0
246.05283	4.6
251.04488	1.6
257.05051	4.6
263.06125	25.0
264.06305	1.6
265.80325	0.8
269.05319	1.8
275.06085	13.7
281.07449	0.7
286.07559	1.3
293.07111	4.4
305.07159	10.1
317.07181	1.3
335.08191	2.8
365.09332	9.2
383.10260	0.9
425.11252	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
55.05264	1.9
55.05513	30.4
56.96571	1.8
57.03426	5.1
67.05502	3.9
69.03426	6.0
69.07076	20.8
70.06583	3.4
71.04989	4.9
71.41943	3.3
73.02920	2.0
79.05495	5.2
81.03418	5.3
81.07054	6.2
83.04962	9.1
83.08630	3.5
84.08142	1.8
85.02902	12.4
85.06543	1.9
86.09703	2.0
91.05480	3.0
93.07053	9.6
95.04981	4.0
95.08614	6.1
97.02905	3.5
97.06532	25.3
98.97593	2.4
105.07029	4.7
107.08591	12.5
107.88113	1.5
109.02895	2.5
109.06496	2.4
109.10145	9.4
111.04480	1.8
111.08096	5.2
116.98648	2.2
119.04948	1.6
119.08557	3.9
121.10158	11.3
123.04412	4.8
123.08099	2.0
123.11720	2.8
123.83717	1.6
124.04630	1.8
125.09629	4.6
127.03906	2.6
127.11207	13.0
131.08508	2.8
132.04457	2.4
133.10175	6.8
135.08028	3.1
135.11711	7.5
137.05954	2.3
138.05478	1.7
139.03856	9.1
145.04910	2.4
145.10138	2.5
146.06052	1.9
147.04445	3.4
147.11685	3.4
149.09586	4.0
149.13263	2.4
153.09100	4.4
156.04189	5.8
161.02818	1.2
163.03983	2.0
163.11391	1.7
163.14832	8.0
167.07072	7.2
169.04956	2.0
171.06570	6.7
173.13257	8.6
175.14767	2.8
180.75153	1.3
188.07167	1.7
191.14326	35.1
200.09506	1.5
209.15379	100.0
210.15706	4.0
227.16473	2.5
242.90613	1.5
245.04877	1.7
245.10252	12.5
245.12672	2.3
249.15829	1.6
257.04276	1.8
263.13998	3.2
424.17566	2.0
425.17740	6.3
443.16025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88335	2.5
55.05510	17.9
55.87502	2.3
69.03415	4.6
69.07047	2.7
71.04987	6.7
71.09744	6.3
79.05478	4.4
81.03415	4.5
81.07041	5.2
83.04980	8.8
83.08612	13.4
85.02909	8.3
93.07033	9.5
95.04974	12.0
95.08613	5.5
97.06534	4.1
97.10182	6.1
104.24957	2.7
105.07006	6.0
107.08620	19.5
109.02937	3.6
109.05309	2.6
109.06525	6.5
109.10159	9.1
111.08083	4.5
115.07568	7.7
116.02283	2.3
116.10716	9.0
118.06522	2.3
121.02827	4.2
121.10143	45.1
122.02402	6.2
123.11729	2.8
125.09597	4.2
133.10143	11.1
135.08034	3.0
135.11694	3.6
140.03401	3.8
147.11760	3.0
149.13292	2.8
151.11205	17.7
153.01877	4.4
153.09100	6.2
163.14827	13.0
167.13133	2.4
167.14330	16.4
173.13274	9.4
191.14320	17.2
204.08621	4.6
209.15375	100.0
227.16426	10.2
242.96980	2.9
278.15952	3.0
424.21878	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.0
67.05515	2.8
69.03410	2.9
69.07058	3.3
69.59273	1.1
69.60615	8.3
71.05003	1.5
79.05487	2.7
81.07053	4.2
83.04979	5.8
83.08618	8.9
85.02888	2.4
85.06535	3.9
86.78674	1.2
91.05486	2.5
93.07042	9.5
94.04778	1.1
95.04981	8.2
95.08612	2.7
97.06534	3.5
97.10198	2.1
99.04454	2.9
99.08157	1.3
105.06986	1.6
107.08609	12.9
109.06505	3.8
109.10199	6.5
111.08097	2.1
113.09664	1.4
114.50540	1.2
115.07549	4.6
119.08570	3.6
121.10149	42.2
123.11711	3.1
125.09606	2.5
131.08540	2.0
133.10110	6.6
135.08000	1.7
135.11700	2.3
147.11723	1.5
149.13257	2.1
151.11176	16.0
153.09109	3.9
153.71651	1.1
162.24376	1.2
162.76463	1.2
163.14835	10.1
167.14323	14.5
173.13284	5.9
175.14824	1.9
191.14313	12.7
209.15379	100.0
210.15742	1.8
223.82007	1.1
227.16478	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.3
56.05027	3.2
56.96562	4.8
57.03432	3.0
60.04528	4.0
61.02920	2.8
67.05522	2.5
69.03433	9.5
69.07071	8.0
69.48379	14.2
69.48801	6.7
70.10673	2.0
71.04959	2.4
71.47753	1.9
72.04530	2.2
73.02928	2.7
79.05519	4.9
81.03437	6.9
81.07059	7.9
81.85132	2.4
83.04980	9.3
83.08621	14.4
84.04480	2.7
85.02909	22.1
85.06523	3.3
91.05473	4.4
93.07060	8.8
95.04976	30.4
95.06151	2.4
95.08627	6.3
97.02908	7.3
97.06536	13.0
97.07659	3.2
98.07163	3.4
98.21478	4.4
98.97581	4.6
99.04457	9.7
99.08135	2.2
99.27106	2.4
105.07072	5.4
107.08569	15.5
109.02921	3.4
109.06521	17.1
109.10152	12.5
115.07578	21.2
116.98595	3.6
119.08569	5.5
121.10152	20.7
123.04441	20.3
123.08089	3.4
123.11671	3.6
125.09644	3.5
127.03925	3.1
131.08604	4.8
132.04459	18.9
133.10147	23.8
135.08043	5.3
135.11719	3.6
139.03909	2.7
145.04985	6.2
145.10231	3.8
146.06021	3.8
147.11665	9.2
148.03973	4.7
149.13254	4.0
151.11200	11.7
153.09116	15.4
163.14850	5.5
164.03511	2.4
167.14319	14.3
173.13261	18.3
173.97272	3.7
175.14850	2.8
177.00754	2.8
191.14323	27.1
207.07544	2.8
209.15384	100.0
227.16431	43.5
232.99535	5.7
237.02684	4.5
337.02374	5.4
338.02173	3.4
377.46008	2.6
424.17447	4.5
425.11606	7.3
443.34854	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01861	1.0
55.05268	0.9
55.05513	11.4
56.96558	1.6
57.03436	1.6
59.04982	1.4
61.02921	1.4
67.05489	2.7
69.03432	5.6
69.07050	2.8
69.77749	1.9
69.78177	2.7
70.06588	2.8
71.04987	3.6
73.02923	0.9
78.30781	0.7
79.05486	2.2
81.03407	2.2
81.07062	6.3
83.04985	10.2
83.08617	10.2
84.04496	1.6
84.96041	1.0
85.02904	8.5
85.06525	2.1
86.09719	0.9
87.04465	1.2
91.05477	9.5
93.07049	5.7
95.04971	40.0
95.08606	2.9
96.05315	1.1
97.02907	3.6
97.06536	3.8
97.10159	2.4
98.20783	0.8
98.97570	2.9
99.04456	12.4
99.08043	1.2
105.07011	2.6
107.08609	9.1
108.04450	1.5
109.02845	2.6
109.06539	4.3
109.10162	9.4
110.06064	5.4
111.08071	3.3
114.05553	1.3
116.98602	1.7
119.08566	2.8
121.10145	11.4
122.10524	0.8
123.04475	0.7
123.08086	1.9
123.11708	3.2
124.07622	3.4
125.09621	3.5
127.03938	6.0
127.07540	2.4
131.08549	2.0
132.10240	1.1
133.10127	8.2
134.99663	0.8
135.08069	1.3
135.11679	3.2
136.07558	1.6
137.02310	0.8
137.05989	0.8
145.04913	1.1
145.10144	1.1
147.11674	3.0
149.13264	3.1
151.11185	16.4
152.07025	3.4
153.01889	1.1
153.09102	16.2
157.30318	0.7
158.99677	1.2
163.14815	2.1
165.12752	0.9
167.14310	19.1
170.08073	1.1
173.13271	5.6
175.14832	0.7
177.00739	1.5
177.05319	0.8
191.14322	5.7
193.15953	0.9
207.03362	0.7
209.15375	100.0
210.15689	2.4
211.71660	0.8
212.09178	2.7
214.08728	0.9
219.01869	1.1
223.09122	2.0
225.04243	0.7
225.07957	0.8
227.16428	14.5
232.09895	0.8
237.02740	0.9
278.10315	2.4
296.11267	3.0
311.10010	0.9
325.13202	1.1
327.07651	1.2
358.14462	1.4
371.20703	2.0
424.16766	2.4
425.14130	70.9
441.10693	3.5
445.17661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52454	1.3
55.01892	1.3
55.05513	5.0
57.07078	5.1
59.04988	1.3
60.62942	1.3
67.05508	23.1
68.05828	3.3
69.03428	1.8
69.07068	7.0
70.01587	7.1
71.04993	1.9
79.05495	12.4
81.03426	1.8
81.07062	27.2
82.07412	3.7
83.05002	1.6
83.08653	3.0
86.09708	27.8
91.05495	11.2
93.07051	9.9
94.07405	1.8
95.04983	2.7
95.08622	11.0
97.06537	3.2
105.07032	13.5
105.87616	1.3
107.04942	3.8
107.08596	7.6
109.06522	3.4
109.10154	9.8
110.10502	3.3
117.06987	3.0
119.08583	13.1
121.06526	2.9
121.10158	30.2
123.04437	2.4
123.08053	1.5
123.11707	2.2
126.31818	1.2
131.08589	3.7
132.04393	2.0
133.06508	1.7
133.10133	17.3
135.08055	1.9
135.11607	1.6
137.06001	5.2
145.10133	5.6
147.08099	2.7
147.11705	25.6
149.05997	5.1
149.09599	2.3
154.04762	1.3
157.10098	1.8
159.11743	2.1
161.06158	1.5
161.13303	1.5
163.07570	8.7
163.11188	1.5
165.12776	2.2
173.11736	3.2
173.13271	1.6
174.12021	1.6
175.11165	13.6
195.68579	1.4
217.15845	1.4
247.20667	1.7
256.26300	1.6
261.37308	1.6
275.20062	7.9
283.16943	100.0
293.21008	2.4
339.23212	79.9
350.61917	1.5
424.27975	12.9
424.32431	2.5
425.26740	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	424.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84775	1.3
52.85474	1.5
53.03944	1.7
55.01867	3.0
56.96565	3.7
57.03431	1.5
57.21183	1.3
57.82907	1.1
58.34460	1.2
61.02923	2.4
63.59469	1.3
69.03425	7.5
69.99548	8.2
70.06591	1.5
71.05027	1.7
73.02913	1.7
73.79888	1.8
74.06082	1.9
79.05463	2.1
81.03405	4.2
84.96010	1.4
85.02912	26.3
91.03967	3.0
91.05482	13.1
93.07034	5.2
95.04971	7.2
97.02895	8.9
98.97575	4.8
99.04449	1.6
103.05470	12.4
105.03382	4.2
106.44124	1.3
107.04964	6.3
109.02883	3.8
109.06545	6.6
111.04435	2.1
116.98634	3.9
117.03401	2.6
119.01897	1.4
119.04922	5.4
121.06516	14.8
123.04438	22.4
127.03939	5.7
131.04936	14.4
131.96165	2.4
132.04469	21.0
133.02867	34.7
134.03654	2.5
135.04425	4.0
137.05980	19.2
139.03864	4.3
140.58546	1.4
145.02808	3.5
145.04955	4.4
146.99643	2.2
147.04405	4.0
148.03992	2.1
148.05186	6.0
149.06003	28.7
149.97231	2.3
158.99690	3.0
159.04424	10.5
163.03902	3.0
165.05498	35.0
166.06345	1.7
167.07047	50.1
169.04994	1.9
173.97255	1.7
176.04774	3.2
177.00697	2.3
177.05487	84.5
178.05765	2.3
181.08601	3.4
182.05705	4.5
191.07024	7.0
191.98260	1.8
194.05775	6.3
197.08104	81.9
209.08099	100.0
210.08438	2.4
219.01750	3.7
223.01035	1.5
227.09149	47.5
233.99295	2.2
237.02802	6.8
240.61816	1.4
245.04979	2.4
268.56778	1.7
287.05408	1.5
303.07288	1.8
321.08682	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	424.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08500	2.0
55.05508	8.0
56.96572	3.5
65.03938	3.9
67.05510	5.1
69.03419	6.0
69.07030	2.7
70.06582	7.5
71.58303	2.5
71.58730	3.8
79.05495	3.1
81.07078	4.7
83.08593	3.3
85.02908	7.4
91.05483	100.0
92.05835	4.9
95.08598	3.5
97.02908	5.7
97.06562	2.8
98.09686	2.7
98.14532	2.7
100.11249	5.9
107.08556	2.7
109.02872	3.6
109.10183	2.2
125.08708	2.4
127.03967	3.4
128.97290	2.6
130.20332	2.0
133.10118	2.5
137.05981	2.5
182.15450	6.7
210.14897	3.8
297.06543	5.2
351.74045	11.5
415.26987	4.5
424.26404	2.3
425.14090	6.1
437.87933	2.7
441.10574	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01855	0.8
55.05513	3.8
57.03441	2.1
57.03658	0.4
57.07083	3.4
62.97463	0.5
67.05170	0.6
67.05504	10.6
67.46538	0.5
69.03396	0.9
69.07071	5.5
69.97487	2.6
71.04977	1.5
71.08630	3.1
72.57671	0.4
79.05495	6.4
81.03378	0.5
81.07056	12.9
83.04964	1.1
83.08618	2.6
85.02881	0.5
85.06523	2.0
90.75860	0.4
91.05476	4.7
93.07047	8.5
95.04958	1.2
95.08051	0.7
95.08608	9.8
96.09008	0.5
97.02880	2.6
97.06505	1.6
97.10130	1.2
99.04446	1.2
99.08084	1.9
105.07031	4.5
107.08589	6.4
109.06522	15.5
109.10168	4.9
111.08061	1.1
117.06995	1.2
117.13644	0.4
119.08581	5.3
121.06496	1.0
121.10141	4.9
122.07258	1.8
123.08067	27.2
123.11686	2.0
125.09625	0.6
127.03925	1.2
129.06949	0.5
131.08562	2.4
133.10135	3.8
135.08031	5.7
135.08974	0.5
135.11681	2.5
136.08862	0.5
136.64005	0.4
137.09616	1.7
139.11183	0.6
142.75218	0.4
145.10130	2.0
147.11679	2.0
149.09616	1.3
149.13261	2.2
159.11717	2.0
161.09613	1.0
161.13261	0.7
163.14812	0.8
165.12741	1.1
167.14377	1.0
173.11826	0.5
173.13272	0.7
175.14879	0.9
177.12750	1.7
179.14310	62.7
180.14706	1.6
187.14761	0.7
189.12993	0.5
191.14314	1.2
193.15894	2.4
201.16426	0.7
205.15912	2.8
215.17841	0.7
219.17453	0.6
233.19098	0.8
247.20540	0.7
261.22198	0.8
263.20129	0.8
273.73502	0.5
275.20120	2.0
289.25195	0.9
293.21118	1.3
303.26843	2.0
328.20724	0.5
331.26315	24.6
332.26691	1.1
349.27356	4.7
367.25037	0.8
405.30048	1.2
423.31104	100.0
424.31421	6.2
448.36670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03943	10.9
53.33353	3.0
55.01875	6.6
55.05515	33.2
57.03434	7.5
57.07071	5.7
59.05015	4.4
61.43845	3.7
64.25624	3.5
65.03930	5.3
67.05173	7.2
67.05508	92.7
69.03441	30.5
69.07068	38.6
69.26414	33.2
69.26828	6.2
71.01332	4.9
71.04988	8.1
74.86632	3.3
79.05502	61.0
81.03426	46.5
81.07064	100.0
83.04980	9.9
83.08612	12.6
85.02920	22.2
85.06567	6.0
91.04954	5.7
91.05486	57.1
93.07053	75.0
95.04981	21.2
95.08615	70.2
97.02898	21.0
97.06522	10.7
97.10184	5.7
99.04460	3.4
99.08124	8.0
102.43349	2.8
103.03942	7.1
103.05489	3.7
105.07040	57.5
107.04961	11.9
107.08604	49.9
109.02898	9.0
109.06528	13.4
109.10168	34.9
110.62290	3.0
111.04446	11.3
111.08075	7.7
111.11765	3.6
115.05429	5.0
117.07043	28.1
117.17871	3.3
119.08598	49.1
121.06527	10.7
121.10148	48.2
123.04419	5.6
123.08046	8.3
123.11729	10.6
125.09696	4.4
127.03883	8.0
129.07031	17.7
131.04990	3.2
131.08585	41.3
133.06512	10.0
133.10143	33.2
135.08046	9.8
135.11711	25.0
137.09610	6.1
139.11189	6.5
141.06963	6.1
143.08597	15.6
145.05020	3.5
145.06419	5.4
145.10126	28.5
147.08089	12.9
147.11697	26.9
149.09613	5.2
149.13231	18.3
151.07562	6.3
151.11258	4.2
155.08528	8.5
157.10162	19.2
159.08076	3.7
159.11731	22.4
161.09639	6.9
161.13258	19.1
163.07616	3.2
163.11243	5.5
163.14763	6.7
169.10114	12.4
171.08083	3.6
171.11707	19.2
173.09659	9.6
173.13242	19.9
175.07574	4.5
175.11229	6.6
175.14835	5.9
176.90602	3.5
177.12733	4.8
183.11708	10.9
185.13274	9.8
187.11171	7.3
187.14873	11.2
189.12779	4.3
195.11743	5.6
197.13246	8.5
199.14832	9.0
201.16428	3.3
205.12033	3.2
211.14908	5.3
213.16515	4.5
217.15840	3.7
233.15352	4.6
241.19551	4.4
243.21106	6.4
247.17052	4.4
249.14928	8.3
259.20578	11.1
261.22058	18.8
273.22156	7.3
277.21664	8.5
279.23297	5.2
283.20325	3.7
285.21988	5.1
289.21646	9.6
291.23138	11.4
301.21829	7.5
303.23160	19.4
315.23163	7.0
319.22876	5.9
327.23199	7.9
341.24747	10.9
345.24088	12.3
351.23151	12.4
359.25967	4.5
369.24301	44.0
387.25354	53.2
405.26379	52.3
423.27286	35.7
444.46484	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	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.7
55.01867	6.9
55.05511	29.3
56.75626	4.4
57.03444	7.5
57.07085	4.5
65.03959	4.5
67.05508	100.0
69.03426	23.5
69.07069	18.3
69.28072	48.9
71.04993	7.1
79.05493	56.2
81.03423	18.4
81.07059	82.6
83.08610	11.7
85.02908	6.8
85.06554	8.6
91.05483	34.0
93.07043	69.4
95.04984	11.1
95.08608	55.2
95.09159	5.8
97.02895	59.3
97.06558	5.1
99.04465	28.8
105.07043	30.1
107.08588	45.6
109.02905	12.4
109.06536	6.5
109.10162	55.3
111.08107	6.6
117.07043	10.0
119.08614	24.9
121.10152	38.9
123.04426	4.3
123.11725	6.3
127.03923	35.7
129.07027	6.4
131.08591	22.0
133.06468	4.9
133.10150	17.5
135.11700	20.6
145.05009	4.3
145.10132	14.0
147.11681	14.0
149.13278	20.2
159.11688	18.5
161.13330	10.4
171.11649	5.1
173.11848	7.6
173.13274	12.2
175.14896	6.3
179.14278	5.8
187.14737	6.2
195.13809	4.7
241.19485	5.0
243.20963	4.7
259.20688	4.4
259.79529	4.9
261.22098	27.9
329.24533	6.0
339.23425	6.4
351.17612	6.5
423.26617	28.1
423.32089	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.01875	8.2
55.05515	32.2
57.03434	9.9
57.07068	8.3
65.03932	5.7
67.05507	90.5
67.87193	2.7
69.03427	28.9
69.07072	28.0
69.96690	12.1
71.04981	10.5
71.08627	4.9
73.02932	4.3
79.05502	72.8
81.03426	33.7
81.07063	100.0
81.97790	2.4
83.04985	8.6
83.08633	18.9
85.02892	15.8
85.06537	6.0
87.04462	3.7
91.05482	54.8
93.07045	83.3
95.04994	16.0
95.08611	66.3
97.02894	11.2
97.06535	11.6
97.10183	7.1
99.04481	13.2
99.08065	3.4
103.03907	4.8
105.07040	52.7
107.04917	5.9
107.08593	51.7
109.02876	6.6
109.06510	16.4
109.10170	34.4
111.04453	9.3
111.08086	4.6
115.05455	3.6
117.07041	26.1
119.08588	48.6
119.09434	3.8
121.06499	9.1
121.10154	46.2
123.08080	29.5
123.11707	11.6
125.09608	6.9
127.03934	5.2
128.06184	3.8
129.05496	3.9
129.07007	13.9
131.08574	35.3
133.06485	4.1
133.10139	36.1
135.08070	12.1
135.11687	28.7
137.05960	3.6
137.09598	5.2
137.13240	3.8
139.11111	3.2
141.06978	5.2
143.08580	11.6
145.10110	26.2
147.08022	7.1
147.11708	24.3
149.06044	6.0
149.09610	5.6
149.13248	13.5
151.07460	3.2
157.10150	12.9
159.11685	25.2
161.09575	4.9
161.13269	18.6
163.11241	3.0
163.14828	7.0
165.12741	3.7
169.10199	5.1
171.11710	10.7
173.09596	4.3
173.13235	20.5
175.11211	3.7
175.14850	5.7
177.12738	7.3
179.08594	2.9
179.10909	2.7
179.14328	45.6
183.11711	7.5
185.09663	3.9
185.13258	10.3
187.14818	8.1
189.09190	3.0
189.12735	3.5
191.14407	4.4
195.11682	4.4
197.13295	5.4
199.14783	8.8
201.16447	3.4
203.10698	2.9
203.14366	4.1
231.17403	3.8
235.17020	2.9
241.19565	6.8
243.21147	6.3
249.43965	2.9
259.20630	12.4
261.22137	27.4
271.20786	3.7
273.22150	4.4
275.20175	3.5
277.21600	10.2
285.22064	5.1
289.21631	6.2
291.23212	5.3
297.22308	3.5
299.23654	3.2
301.21472	5.8
303.23300	13.5
303.26331	3.4
313.21564	5.4
315.23138	9.3
319.22614	3.9
327.23099	3.4
331.22598	3.8
331.26117	22.8
345.24243	5.2
349.27399	3.2
351.23206	11.0
369.24289	29.5
387.25183	31.2
405.26324	31.8
423.31580	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
53.03979	0.6
55.01853	0.4
55.05502	1.4
57.03415	0.6
57.07081	0.7
57.77926	0.5
67.05518	2.4
69.03445	1.2
69.07058	1.6
69.28853	3.5
69.29278	2.0
70.06582	1.2
71.04980	0.4
74.03710	0.4
79.05485	1.1
81.03412	1.1
81.07047	2.2
83.05009	0.5
83.08611	1.6
85.02892	1.8
85.06554	0.6
91.05496	0.9
93.07057	1.4
95.08616	2.8
97.02901	1.2
97.06529	0.8
99.89462	0.4
103.05441	0.5
105.07031	1.5
106.07309	0.5
107.04973	0.6
107.08588	1.8
109.02879	0.5
109.10145	2.2
114.10350	0.5
117.07020	0.7
119.08582	1.4
121.10120	1.1
123.11725	0.9
131.08597	0.7
133.10123	1.5
135.11728	1.0
137.06015	0.7
137.84254	0.5
145.10150	0.8
147.11644	0.7
149.13237	0.6
159.11710	0.6
167.07091	1.7
173.11948	0.6
173.13246	1.0
187.14807	0.8
218.87433	0.5
261.22202	0.9
405.23785	0.8
423.23553	100.0
424.23843	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69987	0.2
53.03948	0.6
54.35422	0.2
55.01855	0.5
61.02931	0.3
62.19939	0.3
65.03949	0.4
66.04709	0.5
67.05508	0.4
67.64745	0.2
69.03404	0.5
70.06588	0.4
71.59872	0.4
71.60219	0.3
72.08144	0.4
77.03938	0.4
78.04713	3.8
79.05495	3.8
81.03433	0.3
81.07054	0.8
85.02914	0.4
91.05479	2.6
93.03382	0.5
93.07030	0.9
94.04227	0.4
95.04974	1.7
95.08590	0.4
96.05736	0.3
97.02888	0.4
103.04796	0.3
103.05475	5.2
105.03414	0.5
105.06381	0.4
105.07034	5.3
106.04168	1.8
107.04961	7.0
109.06496	0.6
109.10202	0.3
111.04416	0.3
114.10294	0.7
115.05457	2.0
117.07040	1.4
118.04177	0.4
118.06544	0.3
119.04955	0.6
121.02843	0.4
121.06496	2.1
122.03648	0.6
123.04432	8.1
123.08096	0.3
124.05228	3.2
125.06015	1.3
128.06216	0.5
129.07010	1.0
131.04935	6.1
131.08557	1.0
132.04448	0.3
132.05713	0.4
133.06500	5.2
134.03647	0.6
135.04410	0.3
135.08086	1.5
137.05983	3.2
138.06688	0.4
141.06975	1.0
143.04942	0.4
143.08543	0.5
144.05696	0.7
145.04979	0.2
145.05295	0.3
145.06497	2.5
147.04402	1.9
147.08064	0.4
149.05959	0.9
151.03932	1.6
151.07536	3.5
152.04695	2.6
153.05450	1.0
154.05948	0.3
155.08464	0.3
156.05730	0.3
157.06499	0.5
158.07237	1.2
159.08051	1.8
160.05185	0.4
161.05998	6.8
163.07555	12.6
165.09123	0.2
167.07043	100.0
168.07492	2.6
169.08177	1.2
171.08032	0.5
172.05219	0.5
173.06007	1.1
173.09633	1.5
174.06552	0.3
175.07574	1.7
177.05434	0.4
177.09094	2.0
178.06279	0.4
179.07059	2.2
181.08591	4.5
186.06796	0.4
187.07535	2.9
189.09091	0.7
191.07069	0.4
192.07800	0.5
193.08606	16.0
195.10207	0.6
201.09088	1.7
203.06917	0.4
203.08594	0.6
205.08607	1.2
207.10162	1.0
217.08644	0.5
219.10185	1.9
220.08669	0.4
224.10316	0.3
231.08119	0.5
233.11699	3.2
235.11009	0.4
237.11227	1.3
251.12788	0.5
263.10718	1.1
286.07034	0.5
286.61801	0.3
291.07074	0.3
291.10184	0.8
295.13281	0.6
323.12704	1.9
352.14841	0.3
355.15369	4.6
356.16104	0.3
387.18015	1.2
405.19180	0.7
424.10281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
53.03934	0.5
54.51381	0.4
55.01852	0.6
65.03957	0.4
67.05496	0.5
69.03417	0.5
70.06584	0.5
71.00201	1.0
78.04709	3.3
79.05495	4.4
81.03410	0.9
81.07055	1.2
85.02885	0.7
86.09691	0.5
91.05465	2.9
91.12294	0.3
93.07041	0.8
94.04172	0.4
95.04974	1.9
95.08624	0.3
97.02930	0.4
103.05477	4.3
105.07040	4.4
106.04172	1.6
107.04959	6.9
108.14631	0.4
108.76007	0.3
109.02837	0.7
109.06519	0.7
111.04442	0.5
115.05462	1.8
115.13477	0.3
117.07018	1.3
119.04955	0.3
119.08537	0.5
121.06496	1.4
122.03681	0.5
123.04430	8.2
123.08076	0.7
124.05219	3.9
125.05965	1.0
128.06219	0.7
129.06992	0.8
131.04951	5.9
131.08594	1.1
132.05704	0.4
133.06499	5.8
134.03592	0.7
135.08003	1.8
137.05972	3.6
138.06734	0.5
141.07016	0.9
143.04912	0.5
143.08568	0.6
144.05685	1.1
145.06480	2.5
146.07088	0.4
147.04416	1.3
147.08083	0.4
149.05933	0.6
151.03940	2.0
151.07536	2.9
152.04694	2.5
153.05458	1.5
157.06529	0.7
158.07320	0.9
159.08029	1.4
159.09195	0.7
160.05176	0.5
161.05974	5.6
163.07549	11.7
163.08919	0.6
165.05473	0.4
166.06160	0.6
167.07047	100.0
168.05940	0.5
168.07640	2.9
169.08203	0.7
171.08043	0.6
173.06010	1.4
173.09619	1.3
175.06207	0.3
175.07483	1.8
177.05470	0.9
177.09155	2.0
179.07011	2.0
181.06659	0.3
181.07164	0.4
181.08615	3.5
187.07547	3.1
189.09123	0.9
191.07042	0.4
192.07770	0.5
193.06845	0.8
193.08614	15.7
195.10201	0.7
199.07527	0.4
201.09146	1.2
205.08598	1.1
206.09201	0.5
207.10133	1.0
217.08638	0.6
219.10181	1.6
221.11896	0.5
227.27470	0.4
231.08142	0.6
233.11772	3.5
237.11279	1.8
251.12968	0.6
263.10718	0.6
269.07739	0.4
291.10181	1.0
295.13034	0.6
305.11792	0.4
323.12787	2.1
340.13577	0.4
355.15338	4.2
387.18011	1.4
405.19385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2016
Annotation	2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)-methyl]-1,4-butanediol
Peak:m/z	Relative Intensity
51.90318	0.2
53.03943	0.7
55.01868	0.3
67.05487	0.4
69.29233	2.2
69.29642	0.5
71.05013	0.3
78.04720	2.6
79.05119	0.3
79.05502	3.5
81.03440	0.3
81.07060	0.5
83.05001	0.3
91.05475	1.8
93.07031	0.6
94.04172	0.5
95.04954	1.3
95.08620	0.4
96.05745	0.4
97.06530	0.2
103.05471	4.2
105.04552	0.3
105.07034	6.0
106.04181	1.8
106.73882	0.3
107.04959	7.0
109.02853	0.4
109.06513	0.6
114.05357	0.3
114.10302	0.3
115.05460	1.9
117.07017	1.2
118.04202	0.3
119.04913	0.5
119.08582	0.3
121.06518	1.7
122.03683	0.6
123.04431	6.6
123.08064	0.7
124.05223	3.0
125.05991	0.9
126.06273	0.3
128.06253	0.4
129.06985	0.8
129.73653	0.2
131.04926	5.4
131.08577	0.6
132.04434	0.8
132.05650	0.4
133.06503	4.8
134.03654	0.5
135.04445	0.4
135.08081	1.3
136.05162	0.5
137.05981	3.0
138.06760	0.2
141.06987	0.7
143.04910	0.5
143.06000	0.3
144.05708	0.9
145.06490	2.4
147.04427	1.9
147.08069	0.4
148.05127	0.3
149.05969	0.8
151.03926	1.5
151.07547	3.3
152.04700	2.3
153.05463	0.8
155.08612	0.3
156.05649	0.4
157.06526	0.5
158.07259	1.4
159.08049	1.3
160.05185	0.4
161.05991	6.2
163.07555	13.4
165.09151	0.4
167.07047	100.0
168.07504	2.7
169.06482	0.5
169.08163	0.7
171.08070	0.3
172.05258	0.3
173.06021	1.3
173.09642	0.7
175.07555	1.6
177.09175	1.6
178.06264	0.3
179.07037	2.4
181.08589	4.0
186.06799	0.3
187.07544	2.6
189.09148	0.8
192.07770	0.7
193.08612	15.9
194.09001	0.4
199.91743	0.3
201.09135	1.7
203.07001	0.4
203.08682	0.3
205.08640	1.1
207.10223	0.7
217.08630	0.7
218.09108	0.3
219.08273	0.4
219.10194	2.0
221.11667	0.6
231.08017	0.4
233.11743	2.9
237.11205	1.9
245.92119	0.3
259.67145	0.3
263.10669	0.7
291.10114	0.9
295.13248	0.5
308.10309	0.4
323.12793	2.0
324.13477	0.3
355.15381	3.8
373.31061	0.3
387.17999	1.0
405.19345	0.3
423.20468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01842	0.6
55.05493	0.6
55.08012	0.6
63.43433	0.7
64.54925	0.7
67.05478	0.6
69.03430	0.9
70.06573	0.8
70.57529	2.2
70.57890	0.9
78.04701	4.0
79.05507	3.7
81.07050	1.4
82.37640	0.8
83.04986	0.9
84.93835	0.6
85.02898	2.6
90.90822	0.6
91.05479	2.7
93.07021	1.2
95.04948	1.3
97.02892	1.2
99.04456	0.9
103.05492	4.1
105.07038	5.5
106.04177	0.9
107.04949	7.3
109.02905	1.0
109.06525	0.9
109.10230	0.7
115.05467	1.8
117.07024	1.0
119.04819	0.7
121.02875	2.8
121.06519	2.2
123.04441	6.8
123.08078	0.9
124.05243	3.9
125.06010	0.9
129.06996	1.3
131.04938	6.7
131.08553	0.9
133.06509	5.3
135.08025	1.2
136.05238	0.7
137.06004	2.9
141.06966	1.1
145.06476	2.6
147.04398	1.1
151.03891	3.2
151.07516	3.1
152.04691	2.2
158.07286	1.1
159.08037	1.5
160.05226	0.7
161.06000	5.6
163.07555	13.7
167.07048	100.0
168.04062	0.7
168.07494	1.4
173.06033	1.5
175.07510	1.7
176.65678	0.7
177.09157	1.5
179.07045	3.6
181.08620	4.6
187.07555	2.4
193.08623	15.4
201.09134	1.5
205.08578	1.4
207.10179	1.4
207.13834	0.9
217.08575	0.9
217.82202	0.6
219.10191	2.2
226.15218	1.4
233.11765	3.6
237.11201	1.6
261.07440	1.6
263.10461	0.9
291.06909	1.1
291.10141	1.2
298.06003	0.7
323.12732	1.6
355.15424	3.9
387.18124	1.0
423.12537	2.1
423.19525	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29000	2.7
52.33841	2.5
53.03962	3.7
54.64321	3.6
55.05511	10.0
55.71311	2.7
57.03428	4.3
59.04985	3.5
61.02927	7.6
61.81380	2.8
67.05512	16.6
69.03439	15.4
69.07076	11.2
70.06584	10.5
71.04987	8.6
73.02914	4.2
76.60606	2.4
79.05503	13.3
81.03423	9.0
81.07058	29.5
83.04983	11.6
84.04559	3.3
84.08195	2.6
85.02910	36.0
85.06541	7.1
86.09687	4.4
91.05477	12.6
93.07066	19.2
95.04976	18.3
95.08614	23.4
97.02902	11.5
97.06532	9.3
98.97563	4.1
99.03338	2.7
99.04468	41.3
99.08112	7.1
105.07046	27.5
107.04977	12.2
107.08610	29.4
109.02898	7.1
109.06509	12.2
109.10162	37.2
111.04459	6.0
111.08102	6.1
113.06027	3.5
115.03970	3.5
119.04963	2.7
119.08609	18.4
120.08148	6.4
121.02857	3.0
121.06490	3.2
121.10143	54.7
123.08073	28.3
123.11735	16.0
125.09686	6.5
127.03927	5.4
127.07534	3.5
127.11166	4.8
133.10136	16.8
135.11693	12.5
137.05966	5.0
137.09615	21.6
137.13289	6.7
139.11189	14.5
141.09064	6.6
145.04939	4.8
145.88255	2.9
147.11710	12.1
149.06075	4.2
149.09642	13.7
151.07544	20.6
151.11169	16.4
153.05460	3.2
153.12682	2.8
154.04991	12.5
161.09558	4.7
161.13289	26.5
163.11163	9.2
165.09123	9.1
165.12773	12.8
167.07030	19.6
167.10672	9.1
168.07774	3.3
169.08545	3.6
169.12227	5.2
177.05461	5.6
179.10754	4.2
179.14310	16.5
181.08607	90.5
181.12270	11.0
189.09108	4.7
189.12721	8.5
193.08586	5.2
193.15894	4.9
195.10072	3.3
202.10658	5.8
203.11134	5.5
207.10213	8.2
207.13808	54.7
208.14203	3.8
210.09001	3.4
224.42122	2.7
225.11319	50.6
225.14845	100.0
242.17480	13.6
243.12346	24.4
243.15950	30.2
295.95401	3.6
305.01318	3.7
316.10217	3.8
333.00549	3.6
369.15503	6.8
404.12332	2.6
422.14716	15.9
423.12643	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01860	1.4
55.05528	4.3
55.23503	0.7
56.96554	1.1
57.03442	2.2
58.96915	0.7
59.04994	1.1
61.02934	1.1
64.64532	0.7
67.05511	3.8
69.03445	5.8
69.07072	5.5
70.76295	2.4
71.04999	4.9
73.02917	1.3
74.06973	0.7
79.05482	4.4
81.03402	1.8
81.07059	31.5
83.04993	2.9
85.02911	15.5
85.06537	2.3
87.04509	0.8
91.05492	2.6
93.07050	5.2
95.04968	2.9
95.08624	10.6
97.02905	4.8
97.06536	2.1
97.10173	2.2
98.97593	1.4
99.04459	29.5
99.08106	10.1
101.05960	0.9
105.07038	6.6
107.04947	1.1
107.08602	8.3
109.02880	1.2
109.06525	12.3
109.10165	8.7
111.08067	1.0
113.06020	1.5
115.03932	1.9
116.98625	1.1
119.08597	4.0
121.06502	0.8
121.10154	9.5
123.04465	1.5
123.08080	9.1
123.11731	5.4
125.09678	1.8
127.03906	2.6
127.07597	4.7
127.11204	2.3
131.04935	1.6
131.08542	0.9
133.06491	1.3
133.10091	1.3
135.11700	2.6
137.09633	8.6
137.13260	9.7
141.09129	3.9
145.04985	2.4
145.06404	0.8
145.10190	1.4
147.11707	9.8
149.09630	54.6
150.09966	1.4
151.07526	2.0
151.11188	6.5
161.05954	1.1
161.09662	1.0
161.13251	4.2
163.07591	1.7
163.11191	5.2
165.12758	9.2
167.07050	13.6
167.10675	2.1
168.07852	1.0
169.08676	1.0
173.09558	1.0
179.14342	2.7
181.12241	12.2
183.13799	8.3
189.12762	9.7
191.96545	0.8
193.08664	1.9
207.13818	40.7
208.14189	1.2
225.14870	100.0
226.15208	5.1
243.15929	3.6
261.07364	7.9
305.01340	1.0
311.04459	1.2
320.74609	0.9
333.00677	1.2
344.42441	0.9
423.07510	1.0
423.12427	4.0
429.12033	0.9
429.17810	1.0
438.87646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01869	2.2
55.05507	5.5
56.96558	1.2
57.03438	3.6
57.07062	1.6
59.04982	2.0
61.02913	2.0
65.03934	1.1
67.05508	5.2
69.03433	6.6
69.07072	6.9
70.06586	1.1
71.04995	5.4
71.08611	0.6
71.58334	0.7
73.02908	0.9
75.60352	0.6
79.05508	4.5
81.03436	3.0
81.07063	47.0
82.07377	0.9
83.04990	4.3
83.08596	1.6
85.02911	19.0
85.06540	3.1
91.03976	1.0
91.05473	2.3
91.75144	0.6
93.07051	6.5
94.12820	0.6
95.04984	2.9
95.08611	14.4
97.02908	6.7
97.06520	3.5
97.10186	4.3
98.97594	1.4
99.04459	40.5
99.08107	13.8
101.06046	0.6
103.05444	0.8
105.07037	6.9
107.04962	1.3
107.08599	11.3
109.02874	2.2
109.05785	0.9
109.06524	18.0
109.10164	12.0
111.04424	1.0
111.08089	3.2
113.05956	2.3
113.09635	0.8
115.03916	2.6
115.07623	0.7
116.98635	1.4
119.08595	7.0
121.06535	1.4
121.10149	12.2
123.04410	0.7
123.08073	12.7
123.11713	10.2
125.05987	1.0
125.09625	0.8
127.03936	3.0
127.07562	6.1
127.11173	2.9
130.05029	0.6
131.08556	1.4
133.06534	0.9
133.10147	2.9
135.08046	1.4
135.11687	3.2
137.05980	1.5
137.09622	9.9
137.13263	14.1
139.11165	0.8
141.09084	3.8
145.04994	2.1
145.10121	3.0
147.08002	0.8
147.11696	12.2
149.09627	71.3
150.09999	0.8
151.03934	1.3
151.07558	1.8
151.11180	9.8
153.09128	0.9
156.09396	0.8
161.09586	1.0
161.13249	5.7
163.07515	1.3
163.11185	5.0
165.12772	13.4
167.07028	6.9
167.10667	1.9
169.08592	1.2
169.12210	0.6
171.11728	2.1
171.26601	0.5
175.08829	0.5
177.00676	0.6
179.10596	0.7
179.14296	2.3
181.12260	11.2
181.13846	0.8
183.02866	0.6
183.13823	8.9
184.53346	0.7
189.12750	11.0
191.14293	0.9
193.08591	1.6
207.13817	40.0
208.14127	1.1
225.14867	100.0
226.15227	2.7
243.15892	4.3
261.07333	7.1
277.01575	0.6
293.03311	0.7
305.01132	2.0
309.35147	0.7
311.04681	1.2
329.05298	0.6
333.00555	2.5
333.12756	0.9
338.85681	0.6
387.20276	0.7
423.12466	4.5
448.43024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05502	0.6
55.90121	0.3
56.96560	0.5
61.02903	0.7
67.05511	0.5
69.03422	2.1
69.07069	0.5
70.06574	0.7
71.04996	0.5
71.57548	0.4
71.60371	0.3
78.04771	0.3
79.05488	0.5
81.03420	1.7
81.07043	1.1
83.04937	0.4
85.02908	4.6
87.04448	0.4
87.88460	0.3
90.99825	0.3
91.05466	1.1
93.07044	0.6
95.04934	0.5
95.08591	1.2
97.02894	2.2
97.06492	0.4
98.97576	0.7
99.04446	1.4
101.06004	0.4
105.07015	1.2
107.04947	0.7
107.08587	1.3
109.02879	0.5
109.06508	0.7
109.10157	1.1
119.04990	0.4
119.08588	1.2
120.05707	0.3
121.06508	0.7
121.10129	1.3
123.04442	0.8
123.08060	1.2
123.11749	0.4
124.03972	0.4
125.06007	0.4
125.09628	0.4
127.03887	0.8
129.68372	0.3
133.06425	0.4
133.10117	0.7
135.04391	0.4
135.11679	0.8
136.05168	0.5
137.05992	1.2
137.09637	0.8
137.13258	0.5
138.06743	0.7
138.09827	0.3
139.03891	0.4
145.04927	0.9
145.10039	0.3
147.08049	0.4
147.11739	0.5
148.05193	5.2
148.06323	0.6
149.05991	0.6
149.09630	1.4
151.03928	1.6
151.07539	0.5
153.01793	0.4
161.05986	0.4
161.13277	1.5
163.07587	0.7
164.08310	1.5
165.05406	0.4
165.09142	0.6
165.12616	0.3
166.06242	1.2
167.07083	2.0
175.14740	0.4
176.08337	1.0
177.05496	0.8
179.01596	0.3
179.14331	1.7
180.07774	1.5
181.08595	100.0
182.08971	1.7
192.07738	0.4
192.99667	0.3
195.10155	6.4
207.06519	0.6
207.10179	7.3
207.13834	3.0
220.99065	1.1
225.11232	18.6
225.14543	2.8
228.09973	0.5
237.02927	0.6
239.00200	0.6
242.17686	0.5
243.12303	20.8
243.15807	1.5
244.09326	0.6
244.12538	0.5
245.09816	1.0
261.03970	0.8
262.72931	0.3
277.01608	1.1
305.01111	3.9
333.00589	3.0
334.01151	0.3
379.15680	0.5
380.16321	0.8
398.79224	0.3
422.05222	0.5
422.14117	0.6
422.24258	1.4
423.12863	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05491	0.5
56.96552	1.7
57.03433	1.1
59.50171	0.4
61.02911	1.4
64.29961	0.4
69.03437	3.0
69.21800	0.4
69.31302	0.4
69.77557	3.0
70.06577	1.6
73.02909	1.3
73.06554	0.6
74.00658	0.7
81.03407	1.9
84.96033	0.8
85.02415	0.8
85.02908	9.3
95.04959	2.0
97.02891	3.0
98.20751	0.9
98.97589	3.2
99.04429	0.7
103.05438	0.8
107.04993	0.4
109.02871	1.9
111.04441	0.9
115.02174	2.0
116.98643	2.5
120.01174	0.7
123.04449	4.4
125.00588	0.8
127.03932	2.5
128.98633	0.7
131.04932	3.2
132.04465	13.2
133.04822	1.8
134.99649	1.6
136.06131	0.4
137.02357	10.5
137.03416	0.9
137.05931	0.6
138.02637	0.5
139.03891	1.2
140.03413	0.5
143.01634	17.6
145.04990	1.6
146.99684	0.6
148.03934	2.6
149.04308	0.8
155.04652	1.2
158.99692	1.8
161.02950	1.7
163.02704	0.5
163.03986	0.5
163.07507	1.8
166.04878	1.0
171.01120	100.0
172.01433	1.6
173.03024	0.6
173.06700	0.5
177.00751	3.4
181.33319	0.5
189.00720	0.4
196.02696	0.6
201.54005	0.5
214.03871	1.3
215.55527	1.2
219.01811	1.6
234.34207	0.4
236.07240	0.4
237.02834	1.6
237.98021	0.8
243.03371	2.8
249.06291	0.7
258.02930	1.0
260.05902	20.0
261.06097	0.5
265.07492	0.9
275.09894	0.6
279.03720	0.7
293.10864	1.8
294.11188	0.6
300.03738	0.8
303.00171	0.6
304.07895	0.5
309.08502	1.4
309.90210	0.5
351.09821	0.5
378.23383	0.5
386.08786	0.8
410.07953	0.4
411.08032	0.5
419.14197	0.5
422.16721	0.5
427.11484	0.5
446.16263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01872	1.3
55.05492	0.5
57.03414	0.5
58.06583	0.4
61.22260	0.4
67.05489	0.9
68.99783	0.8
69.03425	0.8
69.07056	0.6
70.06585	1.1
71.04982	0.5
71.59631	0.5
73.72758	0.4
79.05499	0.6
81.03407	1.3
81.07046	1.5
83.04994	3.2
85.02907	3.8
91.05492	0.9
93.07033	0.7
95.04977	1.3
95.08603	1.1
97.02882	0.6
97.06511	0.8
99.04455	0.7
107.04933	0.5
107.08575	0.8
109.02867	1.0
109.10126	0.7
110.91036	0.4
111.04427	1.4
114.10300	0.5
115.05463	2.1
119.08606	0.8
121.02860	1.0
121.10153	1.3
123.04416	3.4
123.08073	0.6
124.54397	0.5
127.03939	0.8
129.05775	0.7
131.04886	0.5
132.04445	1.0
133.10129	0.6
135.11742	0.5
136.07524	0.5
137.09598	0.9
139.03900	11.5
142.06496	1.0
143.07146	0.6
145.06564	0.4
147.04448	0.6
149.02339	1.0
149.09612	0.5
151.03902	4.2
153.01833	0.7
153.05745	1.8
154.04172	0.9
155.03307	0.4
155.04843	0.9
157.05231	0.6
161.05911	0.6
161.13246	0.5
162.05432	0.6
163.03865	1.4
163.11186	0.5
167.03456	1.5
167.07022	1.7
169.04987	4.1
170.06018	2.9
171.04404	1.6
173.06027	0.6
180.04445	4.0
181.05199	2.5
182.06029	1.0
183.04443	1.5
198.05464	2.8
199.03899	2.9
199.06253	1.6
200.04718	4.7
200.06580	0.7
201.05408	0.9
202.52733	0.5
203.03397	0.6
207.13744	0.6
208.03920	4.5
209.04721	25.3
210.05492	3.1
222.05513	0.8
223.09311	0.5
225.14865	2.1
226.05006	9.2
227.03683	0.6
227.05673	3.1
228.04393	0.7
228.06519	3.4
229.04713	0.5
230.04559	0.8
231.02899	2.8
231.05077	0.8
233.04411	0.6
236.03464	8.7
237.04216	33.0
238.04950	4.3
240.06432	1.0
243.02844	0.5
243.15959	0.5
244.03867	0.6
244.06116	2.3
244.08195	0.5
245.04417	0.7
246.05583	0.8
250.05128	0.5
253.03751	0.6
254.04489	100.0
255.05267	74.2
256.05960	9.6
266.04492	0.8
267.05103	1.0
268.06064	0.8
272.03021	0.6
284.05533	3.4
292.06088	0.8
296.05634	1.3
300.02679	5.5
330.07733	0.6
333.00543	4.4
349.06897	0.7
358.07230	0.7
376.08286	2.1
377.06650	0.7
394.09433	0.7
395.07806	0.8
404.07755	3.1
422.08810	12.3
422.14505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2589
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
50.78250	3.0
53.03955	3.9
55.01873	8.9
55.05517	36.3
57.03427	4.6
60.17545	2.3
61.02910	3.6
65.03954	2.4
67.05505	32.2
69.03435	8.9
69.07060	11.1
70.06609	4.1
71.04996	2.6
71.59944	3.7
79.05496	35.0
81.03426	10.1
81.07064	28.8
83.04973	2.9
83.08617	22.5
85.02917	7.3
85.06542	2.7
85.79142	2.2
91.05475	20.4
92.38877	2.5
93.07050	20.3
95.04977	17.4
95.08614	19.8
97.02911	4.2
97.06540	6.2
97.10178	32.1
98.97639	2.2
105.07042	16.4
107.04962	32.1
107.08586	19.6
108.08132	5.4
109.02849	3.5
109.06531	5.9
109.10157	9.1
115.05455	3.2
117.07021	8.8
119.08578	12.2
121.06495	19.8
121.10162	8.1
123.04420	10.4
123.08054	3.8
125.09629	21.9
128.06291	2.3
129.07011	10.0
130.04982	5.1
131.04909	5.0
131.08569	7.2
133.06520	9.7
133.10141	8.2
135.04457	3.3
135.08075	5.4
135.11722	5.2
137.06001	10.7
141.07018	3.8
143.08549	5.5
144.05559	2.8
145.06511	11.7
145.10107	4.3
147.04468	4.9
147.08032	5.7
147.11726	8.6
149.02353	2.8
149.05974	4.2
149.09583	3.1
151.03914	13.9
151.07585	2.8
151.11122	2.3
153.09119	7.1
153.12737	3.8
155.08543	5.4
157.06500	4.2
157.10143	7.6
159.08064	6.5
161.06033	5.7
161.09660	3.0
163.03816	2.4
163.11163	4.1
167.07149	11.9
167.08469	3.0
168.07571	3.1
171.08052	4.5
171.11725	3.9
173.13297	2.9
175.07457	3.0
175.11224	5.5
176.47922	2.3
177.05475	2.9
183.06575	4.6
185.09575	2.6
185.13254	3.7
187.11255	3.2
189.09178	3.7
189.11258	11.0
189.12778	2.9
193.12268	9.1
195.11699	2.7
199.11234	5.7
205.12228	5.3
211.13251	4.5
215.03336	3.3
215.14241	3.5
223.13268	3.7
225.05563	5.3
225.12813	2.6
233.15417	6.2
235.13206	6.1
237.12846	4.3
241.14378	8.0
243.02928	6.7
250.15115	2.7
255.13831	3.1
259.13461	2.6
271.02408	5.7
273.14972	13.8
291.15955	5.6
329.21014	4.8
331.20578	2.8
339.23245	5.3
349.21622	17.9
352.13440	2.8
357.03873	6.9
357.24136	5.0
367.22717	55.5
368.22876	3.7
375.05057	2.7
385.23758	100.0
386.24033	5.9
403.04559	11.4
403.24854	43.3
421.05643	5.7
421.26559	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	421.2588
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03961	4.9
55.01643	1.8
55.01873	11.0
55.05518	21.9
57.03443	11.1
57.07061	1.8
59.04999	4.1
61.02930	2.0
65.03943	3.2
67.05508	62.9
69.03440	6.0
69.07066	13.4
70.06567	2.7
70.20171	4.5
70.20572	3.6
70.93286	1.8
71.05004	5.0
78.24088	2.4
79.05502	38.9
81.03414	18.5
81.06586	2.6
81.07059	40.0
83.04994	3.5
83.08620	17.3
85.02901	6.5
90.91445	2.6
91.05490	44.8
93.07050	29.2
93.70719	1.8
95.04975	55.5
95.08615	30.3
97.02912	3.1
97.06542	5.8
97.10167	12.4
99.04454	2.1
103.05477	3.5
105.07054	25.6
107.04976	23.6
107.08613	17.1
109.02882	2.7
109.06527	8.2
109.10181	33.9
111.04485	3.7
111.08072	5.1
115.05463	3.9
117.07018	15.3
119.04942	4.6
119.08597	25.5
121.06515	19.6
121.10126	12.3
123.04472	3.1
123.08079	6.6
125.09646	9.3
126.51339	1.9
127.03940	3.4
129.07030	13.2
131.04919	3.9
131.08585	21.8
133.06509	6.9
133.10136	12.2
135.08066	9.0
135.11674	5.1
137.05983	8.4
137.09647	7.0
139.11217	2.8
141.06990	3.7
142.07834	2.4
143.08548	9.7
145.06532	2.2
145.10129	11.8
147.08031	10.9
147.11731	6.5
149.09653	4.8
155.08578	3.3
157.06534	4.6
157.10150	14.0
159.11665	10.5
161.09679	8.0
163.11205	8.6
163.88939	2.2
167.07086	4.5
167.08562	2.5
169.10187	4.4
171.08064	3.7
171.11722	4.6
173.09528	2.1
173.11768	5.6
173.13280	3.5
175.11205	9.2
177.12750	6.6
181.10118	2.6
183.11797	4.1
185.09622	4.0
185.13255	4.7
186.03358	2.3
187.11215	2.2
187.14879	2.8
189.09135	7.5
189.11253	5.9
189.12810	3.1
193.12308	13.3
195.11848	2.1
199.11250	4.8
199.14874	3.2
203.10696	8.1
203.12700	3.8
205.12201	4.0
213.12610	3.2
215.10413	2.0
219.13799	2.1
223.13237	4.6
226.71562	2.0
231.13820	6.7
245.15495	2.2
249.14885	6.9
293.19037	2.3
301.21661	6.0
311.20084	13.7
329.21140	73.9
347.22238	11.9
385.23679	6.1
403.24835	66.0
403.30261	2.1
404.25082	4.3
421.26282	100.0
422.26215	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
54.01872	1.1
56.96554	1.9
57.03433	1.4
60.04528	3.1
61.02918	3.2
66.89541	1.1
69.03428	7.1
70.01733	1.0
70.06580	2.0
70.74242	2.9
70.74650	2.2
72.08176	1.2
73.02933	1.4
81.03422	3.8
84.04507	2.9
84.96026	1.3
85.02907	15.6
86.06074	1.8
87.04459	2.0
93.11153	1.4
94.06549	1.6
95.04992	8.9
97.02902	8.3
98.97586	12.1
99.04450	1.9
100.04043	1.4
102.05566	3.0
104.04994	3.0
106.90826	1.1
109.02871	1.9
110.97563	1.3
116.98609	9.7
118.45533	1.2
120.82783	1.1
122.06028	1.8
123.04425	18.4
126.05584	2.8
126.58217	1.1
127.03916	4.5
128.98587	2.2
132.04453	100.0
133.04848	5.9
134.99635	3.1
136.03951	2.1
140.07217	1.7
141.06557	1.2
145.04993	3.3
146.99678	1.5
148.04005	1.5
149.07108	3.1
150.05504	1.9
151.06279	1.6
152.07079	1.7
158.99658	12.4
159.05521	1.3
161.01268	1.7
161.07065	1.6
167.08199	4.8
167.22954	1.4
168.06589	3.8
170.69531	1.2
177.00739	15.5
177.06657	1.6
185.07115	1.9
186.07611	1.8
187.69534	1.2
189.06628	1.5
195.01779	1.5
200.02438	1.7
207.07608	1.7
216.72231	1.1
219.01758	14.4
223.07141	2.3
225.08716	4.6
237.02821	5.0
241.08148	11.5
259.09283	18.3
279.03842	4.2
290.03290	2.4
329.13226	1.4
368.06595	4.2
403.13629	2.6
410.07623	8.5
421.14316	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	420.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18844	3.7
51.57462	3.3
53.03941	11.9
55.05515	56.0
59.05009	35.4
59.48899	3.9
60.88692	3.4
61.02928	5.4
67.05534	4.9
68.71303	3.5
69.03434	39.4
69.07055	5.5
69.83016	28.9
71.05006	7.7
73.02899	6.3
79.05493	6.0
81.03429	34.1
81.07077	6.7
83.04987	72.6
85.02913	52.2
87.04482	4.4
91.05482	7.9
95.04973	28.2
95.08607	6.2
97.02899	100.0
98.09702	5.6
99.04464	16.4
99.10040	4.6
101.06015	30.9
103.03963	20.2
103.05453	7.1
105.07051	5.4
107.04961	8.6
109.02882	32.2
109.10193	9.5
115.05455	7.5
117.07075	9.7
119.07075	10.2
123.04445	38.3
125.06046	6.2
127.03930	42.7
131.04955	4.2
137.06006	9.2
137.09660	9.5
140.04695	8.7
141.05437	6.0
143.07066	30.6
145.04974	72.1
145.06400	25.0
153.05486	9.8
154.06355	4.4
155.07047	17.9
156.05681	8.6
157.06535	6.4
158.07237	4.0
159.07973	4.5
161.06032	6.0
161.08189	5.0
167.07045	59.2
168.07767	5.1
169.05020	7.0
171.04498	3.8
173.05956	30.1
177.05476	8.1
182.09512	4.9
183.06543	61.4
184.07292	18.6
185.08127	15.5
187.06021	7.7
187.07568	8.4
189.09206	5.4
190.06288	13.3
191.07036	6.9
192.07864	4.9
197.11845	4.0
202.06277	5.0
203.07094	17.6
203.09038	7.2
205.08594	26.8
207.06563	25.7
209.08142	6.0
210.08841	7.4
217.08615	69.8
218.09335	15.5
219.10234	9.2
220.10982	7.2
227.09215	6.3
230.09329	5.6
231.06523	44.2
236.08191	4.7
238.11990	10.8
241.08607	9.5
245.10202	40.0
247.07587	6.5
248.10510	14.1
249.07526	23.4
249.11339	10.7
250.11586	7.1
259.05975	4.3
261.09323	4.1
264.07745	8.3
267.08755	5.0
269.08185	4.4
279.10281	9.9
293.11539	4.0
307.09628	12.3
312.76736	4.6
329.10483	9.8
331.11688	4.7
339.12158	9.1
344.12524	7.4
371.14963	37.2
372.15091	4.9
387.14566	7.9
402.16721	13.0
420.17825	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	419.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01866	3.1
55.05508	15.5
57.03436	3.3
57.07058	3.5
67.05507	27.5
69.03455	2.5
69.07079	11.5
70.27412	8.1
70.27827	4.3
71.04994	4.6
79.05492	33.6
81.03425	4.3
81.06579	4.8
81.07059	100.0
81.85011	2.2
83.04990	4.2
83.08618	12.6
85.06532	3.0
87.98605	2.4
91.05480	19.8
93.07054	23.0
95.04972	9.4
95.08604	18.9
96.80474	2.2
97.06522	5.3
97.10160	3.0
98.21362	3.4
99.08099	2.2
105.07036	24.0
107.04960	8.1
107.07961	2.6
107.08589	13.0
108.74743	2.0
109.05797	2.9
109.06531	37.0
109.10179	7.5
111.08097	4.2
117.07025	7.5
119.08607	18.7
121.06554	3.9
121.10171	15.4
123.08070	6.4
123.11730	4.2
131.08588	11.7
133.10155	17.3
135.08061	3.6
135.11713	3.4
137.09576	2.7
143.08592	3.9
145.10144	10.9
147.04416	2.7
147.11696	14.0
149.02266	2.3
149.09633	6.3
149.13246	10.8
151.11238	3.6
157.10118	4.4
159.11723	7.5
161.13240	3.2
163.11172	7.3
163.14772	5.2
165.12753	4.5
171.11644	2.4
173.09665	2.6
173.13220	6.4
175.11234	3.4
175.14967	2.0
193.12157	4.8
204.86705	2.0
215.18082	2.6
229.19611	5.6
239.17953	3.2
247.20560	8.2
257.18994	9.8
272.84546	2.0
275.20084	93.3
276.20502	4.5
293.21103	7.2
361.89651	2.4
419.27878	15.1
419.39215	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00833	0.8
53.47213	0.8
54.71087	0.9
55.05514	1.8
57.03446	1.5
61.02920	1.2
67.05508	1.8
69.03431	7.3
69.07069	1.7
69.24555	9.9
69.24970	2.2
70.06581	2.7
71.05008	1.1
79.05518	1.3
79.65504	0.9
80.46882	1.0
81.03419	2.8
81.07058	1.9
82.06568	1.2
83.01260	0.9
83.08621	0.9
85.02909	14.2
85.06547	1.2
86.09700	1.4
91.05508	2.3
93.07038	2.2
95.04959	2.4
95.08598	2.5
97.02911	3.9
97.06519	1.4
98.09742	1.5
98.97589	2.0
99.04497	1.6
105.07061	2.1
107.08592	2.1
109.02889	2.7
109.06538	1.4
109.10168	2.6
110.05283	2.3
110.06050	46.6
114.10310	3.6
116.98608	1.1
119.04906	1.1
119.08632	2.0
121.10134	2.8
123.11626	1.3
124.07610	8.7
125.08383	100.0
126.09208	8.1
127.03922	3.6
132.04472	14.9
133.10117	1.4
135.08047	1.4
135.11668	1.5
137.06015	1.7
137.09599	1.5
144.53152	0.9
145.04941	2.5
149.05980	1.1
159.08102	1.0
167.07051	3.9
175.14931	2.0
177.00697	1.2
177.05505	1.2
181.05005	2.2
181.08611	1.7
223.09621	1.4
231.10591	0.9
241.10854	1.9
249.11264	3.4
257.12869	90.8
258.13220	3.8
287.05502	1.6
363.11163	1.0
401.16092	2.4
419.13855	1.5
419.19208	2.0
420.21259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1704
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
55.01870	41.6
55.05501	5.5
65.03942	11.8
67.05505	19.4
67.05829	3.6
69.03439	6.0
69.07075	3.5
69.98093	10.0
69.98505	11.5
73.96405	3.3
79.05489	19.5
81.03423	10.1
81.07041	12.2
82.04200	4.0
83.08588	3.9
85.02905	12.6
85.06550	5.3
91.05486	19.9
93.07024	4.9
95.04953	12.9
95.08572	8.8
97.06541	4.8
98.20739	5.6
99.04416	4.1
103.05478	20.2
105.07019	16.4
107.04971	18.8
107.08576	7.5
109.02880	6.9
109.10155	6.9
110.03659	5.9
111.04461	8.8
115.05460	5.5
116.63914	3.7
117.07040	8.1
118.04190	4.8
119.04929	3.9
119.08602	7.5
121.02892	3.7
121.06512	10.1
121.10162	5.7
123.04443	17.7
125.05981	6.2
129.07109	4.2
131.04927	16.7
131.08542	11.1
133.06483	10.2
135.04381	6.4
137.05974	7.2
138.03146	4.7
139.03889	6.4
141.07007	4.8
143.08609	5.7
144.05739	8.2
145.06442	6.7
148.05110	11.0
149.02353	6.2
149.05949	11.4
151.07521	4.8
153.05437	7.4
157.06506	6.5
159.08083	6.7
161.05988	13.9
161.09544	4.5
163.03883	10.6
163.07545	15.2
167.03474	6.3
167.07056	94.1
168.07381	7.1
169.07611	4.0
171.06560	8.6
171.07948	4.3
173.06021	7.2
175.03841	6.9
177.05469	46.3
181.04974	100.0
182.05394	4.9
183.06509	10.6
187.07590	7.7
191.03389	16.8
191.07040	90.5
193.08614	10.0
203.07001	4.9
205.08644	15.4
208.05214	5.0
209.08110	66.5
217.08569	9.3
219.06448	4.7
219.10072	9.2
225.05475	4.6
236.04454	4.1
247.09532	11.7
249.11256	16.9
253.05058	3.8
265.10907	5.3
281.04428	10.6
309.03940	10.7
315.08633	26.1
323.12982	7.3
330.10977	30.2
331.11453	4.8
351.12302	7.4
356.99866	4.3
369.13409	12.4
383.14981	4.1
389.15576	5.0
401.16135	24.3
419.09177	6.0
419.16483	17.2
419.25006	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00643	0.9
53.03938	1.4
55.02980	1.1
55.05509	2.7
56.05029	5.7
56.96564	1.3
57.03439	1.5
59.05008	11.1
60.05646	3.3
61.02924	1.4
65.03933	1.1
67.20071	1.1
68.99757	1.1
69.03432	5.5
69.07077	2.9
70.06595	34.0
71.04993	2.6
71.58994	1.6
72.08156	13.8
73.02914	3.6
75.52853	0.9
77.24072	0.8
79.05492	1.8
81.03414	5.6
81.07056	3.0
83.04980	1.3
83.08648	1.0
84.04493	1.6
84.08179	2.2
85.02417	1.8
85.02908	23.1
85.10166	1.0
86.09711	2.4
87.04479	10.7
91.05488	5.9
93.05864	0.9
93.07021	1.6
95.04959	1.8
95.08614	2.0
97.02888	10.6
97.06519	1.6
97.07655	6.6
98.09697	100.0
98.97607	2.0
99.04464	1.7
103.03933	6.5
105.05489	4.9
105.07030	1.6
107.04936	5.6
107.08605	2.4
109.02876	4.1
109.10201	1.1
111.04430	6.4
112.07585	0.9
112.08720	3.9
114.10301	15.5
115.03891	1.3
116.07095	20.4
116.98603	2.0
119.08601	1.2
121.10141	1.2
123.04424	2.2
126.09180	8.1
127.03912	5.7
129.75758	1.0
131.04936	1.5
131.71483	1.1
133.04938	1.2
133.06506	1.9
133.10144	1.6
135.04405	1.5
137.05977	4.0
137.09535	1.1
139.03897	12.2
140.07060	2.3
140.11833	2.8
145.05035	4.7
147.04413	1.4
147.06560	2.8
148.07632	1.5
150.10295	2.8
157.14487	12.8
163.03906	4.5
167.07123	3.0
168.11340	4.2
170.05829	2.3
171.06537	10.8
175.11978	1.5
175.14839	1.1
176.07074	1.7
177.05499	2.6
179.19456	0.9
181.04956	3.5
183.06537	2.7
185.13982	7.6
189.07732	4.8
189.09105	1.1
191.07146	1.1
195.06490	5.9
201.13478	2.7
205.04955	1.8
207.06596	2.1
209.15460	1.1
213.07635	4.9
223.09496	1.2
229.05058	1.1
229.13000	6.6
230.08189	1.5
231.08658	2.2
233.08096	1.7
237.07545	6.9
238.19754	1.0
242.08192	5.0
257.12555	1.6
260.09152	1.8
261.07547	6.9
278.10214	7.5
279.08597	8.3
314.04941	1.1
315.08676	2.7
330.10950	2.3
345.13336	1.7
371.16315	1.3
383.15771	1.2
419.18375	2.9
419.24905	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	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01864	0.9
57.03439	5.2
58.27155	0.3
61.02914	1.5
61.61468	0.4
67.05497	1.0
68.99796	0.9
69.03416	1.3
69.07094	0.5
70.06588	0.9
70.70397	1.1
73.02923	12.5
74.66806	0.4
79.05473	1.3
81.03397	0.4
81.07061	1.0
83.04993	0.4
85.02900	1.4
91.05462	1.1
93.07043	0.4
94.26596	0.4
95.04968	1.3
95.08614	1.0
97.02874	0.6
97.06536	0.7
98.09703	0.4
103.05457	0.6
105.03378	0.4
105.07019	0.9
107.04962	2.1
107.08561	0.5
109.02886	0.6
109.06523	0.4
109.10159	0.5
111.00813	0.5
114.10325	0.4
115.03930	0.9
115.05446	0.4
119.08614	0.5
121.02879	3.1
121.06514	0.6
121.10161	0.5
123.04454	2.3
125.05987	0.8
125.81747	0.4
127.03925	0.6
128.06270	0.6
129.07008	1.1
131.08562	1.2
133.02890	0.7
133.06514	0.5
135.11678	0.5
137.02296	1.0
137.05972	0.8
137.09674	0.4
140.04703	0.6
141.06964	0.6
144.05716	0.8
145.06471	0.7
145.10028	0.4
147.04430	0.9
147.11732	0.4
149.02350	0.4
151.03853	0.5
153.01834	4.0
153.05452	0.5
157.06499	1.1
159.08089	1.9
161.06029	1.0
161.09569	0.8
165.01849	2.0
167.07051	7.5
170.07228	0.5
171.04504	0.4
173.05942	0.8
175.07498	0.5
177.05450	1.3
181.05008	0.8
181.08601	1.1
183.02934	0.6
183.06613	2.9
185.06017	0.6
187.07561	1.4
189.09242	0.5
197.06021	0.4
203.07019	0.6
204.07874	0.5
205.08575	0.6
209.08052	0.8
213.05502	1.4
217.08597	0.6
219.08232	0.7
219.10187	1.5
221.08121	0.6
231.06345	0.8
231.10080	0.6
233.05908	0.4
241.05070	0.7
248.08463	0.5
249.09001	0.7
249.11249	6.7
253.08461	0.4
258.05283	1.0
259.05746	0.4
265.08649	0.6
280.07529	0.4
287.05511	100.0
288.05847	2.2
293.08188	0.5
307.09619	0.9
315.08643	0.5
330.10822	1.1
351.12393	0.5
369.13345	3.4
383.14954	0.7
389.16006	0.9
401.15942	4.6
419.12680	0.8
419.17712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01852	0.3
55.05502	0.2
57.03418	0.7
57.07050	0.3
61.02925	1.8
65.03924	0.2
67.05503	0.4
68.85201	0.2
68.99791	0.4
69.03430	0.6
69.07076	0.3
69.54970	1.3
70.06593	0.3
71.01356	0.5
73.02919	13.7
79.05524	0.3
81.03429	0.2
81.07063	1.0
84.15057	0.2
85.02908	1.0
91.05467	0.6
95.04977	0.3
95.08593	0.4
97.10170	0.2
98.09743	0.2
98.97584	0.3
105.03402	0.3
105.07032	0.3
107.04984	0.5
107.08601	0.2
108.19361	0.2
109.02891	0.4
109.10162	0.4
111.00793	0.6
111.04432	0.3
115.03892	0.9
115.05477	0.2
121.02873	2.5
121.10195	0.2
123.04451	0.7
123.11709	0.3
133.02834	0.5
137.02339	0.8
137.06032	0.2
145.06500	0.4
147.04427	0.7
147.08081	0.2
153.01826	3.4
157.06535	0.4
161.05956	0.4
165.01840	1.9
167.07010	1.3
171.04477	0.3
177.05475	0.3
181.04991	0.4
183.02895	0.9
183.06552	0.6
185.06017	0.6
191.07118	0.2
213.05457	1.3
227.02281	0.3
227.12752	0.3
231.06540	0.8
241.04935	0.8
249.11165	0.5
258.05157	1.1
259.06110	0.3
269.04358	0.2
287.05505	100.0
288.05856	2.1
291.09958	0.5
297.64047	0.2
312.10446	0.9
321.10928	0.3
369.13242	0.2
383.17517	0.3
401.15869	0.5
418.27707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
55.05306	0.4
55.05515	4.4
58.01051	0.4
65.03928	0.8
67.05488	0.7
69.03421	1.2
69.07060	0.4
70.06580	1.2
70.17669	2.1
73.06554	2.3
75.99981	0.4
79.05446	0.4
81.03406	1.3
81.07059	0.8
85.02906	2.5
91.05457	0.6
91.07587	1.2
95.04994	0.6
95.08604	0.7
97.02895	1.1
98.97578	0.6
99.04488	0.4
107.04961	0.4
107.08575	0.6
109.02865	0.5
109.10154	0.6
110.03751	0.4
114.31039	0.4
116.07092	0.6
116.98619	0.4
121.02856	3.4
127.03944	0.5
133.10085	0.6
137.06000	0.9
145.10097	0.5
149.02344	100.0
150.02681	1.3
161.05983	1.0
167.03403	1.9
167.07091	1.2
173.09418	0.5
175.07535	2.8
177.00700	0.4
181.04968	3.3
182.05324	3.2
191.14284	0.6
203.07021	2.2
221.08096	46.3
222.08417	0.7
239.09189	2.1
249.11197	0.4
255.08635	0.8
256.09094	1.1
264.85080	0.4
400.13379	0.5
410.13864	0.5
418.15002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41852	2.0
53.03937	3.8
55.01865	5.5
55.05512	18.0
57.03446	14.5
61.02909	2.3
65.03931	5.7
67.05166	4.2
67.05505	49.0
69.03424	4.2
69.07069	66.7
70.30784	2.3
70.73190	2.6
70.73536	5.9
70.87740	1.9
71.04995	32.1
72.61506	2.3
73.02903	11.6
79.05493	45.2
81.03416	13.2
81.07059	46.2
83.04971	10.0
83.08609	9.3
85.02908	8.8
85.06522	3.5
91.05482	27.3
93.07047	35.1
95.04981	18.3
95.08617	27.2
97.02894	4.5
97.05907	4.3
97.06526	58.0
97.10151	2.7
98.46288	2.4
99.08064	3.7
100.11243	4.9
103.03951	5.0
103.05456	3.6
104.05815	2.8
105.07017	24.4
107.04951	12.1
107.08599	21.0
108.05271	3.8
109.02911	3.4
109.06529	13.6
109.10149	13.5
111.08093	4.3
113.06004	3.6
115.05457	7.6
115.06788	3.8
115.07581	60.8
117.07001	17.1
118.04222	2.1
119.08571	12.0
121.06471	6.9
121.10143	16.5
123.04436	8.6
123.08035	5.2
123.11686	4.5
125.06043	2.3
127.03890	2.6
129.07005	5.7
131.05011	2.6
131.06993	2.7
131.08546	19.2
133.06488	6.1
133.10159	17.7
135.08051	9.3
135.11716	7.4
137.05946	3.9
137.09602	3.2
143.08597	4.1
145.05020	4.2
145.06490	11.0
145.10126	7.9
146.06804	6.5
147.08096	5.7
147.11690	9.0
149.06094	3.0
149.09654	3.4
149.13272	10.6
151.11229	4.4
157.10091	5.2
159.08076	2.5
159.11644	11.5
161.05946	2.5
161.09631	5.9
161.13231	5.3
163.06107	2.8
163.11075	3.7
163.14806	2.3
167.07045	100.0
168.07391	60.4
169.07501	4.1
171.08076	2.1
171.11652	3.1
173.06010	12.5
174.06357	11.6
177.05551	2.3
177.12740	6.9
179.10812	2.3
181.04962	40.7
182.05304	23.0
182.15353	2.4
185.13239	2.4
187.10994	3.3
191.07037	8.6
192.07361	3.3
195.13797	7.1
196.06837	2.5
201.12892	2.3
203.17957	32.1
205.08527	3.5
209.08128	8.5
217.15828	3.2
221.18950	13.1
227.12819	3.3
227.18042	2.8
233.08066	3.5
233.15408	4.5
234.08563	5.1
245.18973	2.9
269.17484	22.8
273.18466	16.4
291.19525	5.4
295.60504	2.1
297.16953	12.2
315.08423	3.1
330.10721	4.5
347.22086	3.6
365.23264	14.6
374.09824	3.1
383.24313	4.1
388.14685	18.7
389.15524	2.8
400.14420	3.5
401.15738	4.0
418.15948	55.8
418.30460	40.7
418.82828	3.0
419.16110	5.8
419.30505	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	417.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03660	1.1
55.05520	6.3
57.03439	9.5
59.04994	1.9
65.03956	1.3
67.05487	2.0
67.34044	1.1
69.03435	5.3
69.07053	2.3
69.45242	11.9
70.06585	8.2
71.01352	1.4
71.04997	33.1
72.08159	1.6
73.02921	4.8
75.04485	10.3
76.08080	1.2
79.05510	2.3
81.03413	2.5
81.07063	4.8
83.04990	12.4
85.02909	100.0
86.09703	3.1
87.04464	4.9
91.05483	38.7
93.07065	3.4
95.04973	2.5
95.08599	3.6
97.02885	13.1
97.06495	1.7
98.21497	1.8
99.04481	2.6
101.06003	2.4
105.07027	8.1
107.08585	4.3
109.02865	1.9
109.10170	4.6
111.04463	6.1
116.07113	1.7
119.08595	5.8
120.08149	1.7
121.10143	2.0
127.03897	6.9
129.05490	37.1
129.06949	2.0
131.08600	2.3
132.40198	1.3
133.06433	1.6
133.10126	3.0
135.07976	1.3
135.11723	1.7
137.09634	3.4
143.06979	1.2
145.05006	4.5
145.06473	2.0
145.10126	1.9
147.04404	2.3
147.06523	24.0
147.11746	2.7
156.35017	1.4
157.10170	1.6
159.08070	1.4
163.11253	1.4
165.07678	1.9
173.13289	1.7
175.07608	1.5
179.10570	2.0
181.05055	1.6
217.08681	2.6
225.07545	1.5
228.05420	1.5
237.14867	1.6
237.19725	1.2
255.03180	1.3
255.08482	1.9
255.16048	2.3
299.20166	4.6
302.99500	1.3
309.11749	2.6
317.21237	7.1
417.16635	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2275
Annotation	CHEBI:69980
Peak:m/z	Relative Intensity
53.03944	1.2
55.01862	2.1
55.05307	0.4
55.05514	5.0
56.96555	0.5
57.03427	0.6
57.07074	1.3
63.37679	0.4
65.03939	2.3
67.05159	0.8
67.05505	8.3
68.99782	1.0
69.03414	1.3
69.07079	4.2
71.01350	0.6
71.04978	1.0
71.60326	0.8
78.04700	1.9
79.05064	0.7
79.05498	7.0
81.03395	1.0
81.07064	8.9
82.04207	0.7
83.04993	4.3
83.08633	2.3
85.02879	1.7
85.06541	0.9
91.05025	0.6
91.05486	5.7
93.03402	0.9
93.07047	7.1
95.04973	2.8
95.08609	7.2
97.02878	1.0
97.06516	2.2
97.10171	1.5
99.08104	0.6
101.05991	0.6
103.05499	2.7
105.07034	5.2
106.04198	1.3
107.04958	4.8
107.08614	4.9
108.02068	0.7
109.02884	1.4
109.06522	2.2
109.10162	4.9
110.03661	1.4
111.04452	3.0
111.08102	1.2
115.05457	3.6
117.07024	6.3
118.04164	0.6
118.06603	0.6
119.04969	0.9
119.08601	4.9
121.06526	1.9
121.10174	3.0
122.03673	0.7
123.04444	8.2
123.08046	0.6
123.11713	1.1
124.05222	2.7
125.02358	1.0
125.05997	1.5
126.03123	2.3
127.03911	1.1
129.07001	1.5
131.04953	2.7
131.08569	2.6
133.06477	2.0
133.10152	3.4
135.04401	1.1
135.08067	1.6
135.11713	2.4
137.02365	0.5
137.05957	3.4
137.09613	1.4
138.03145	0.7
139.03905	17.0
141.07024	1.1
142.02592	0.7
143.04871	1.2
143.08563	2.2
145.06506	10.2
145.10121	3.4
147.04413	3.1
147.08044	1.8
147.11678	2.8
148.05194	0.7
149.05981	0.9
149.09628	1.4
149.13289	1.0
151.03954	2.5
151.11214	1.2
152.04692	2.4
153.01822	2.4
153.05478	1.4
155.06052	1.8
155.08537	0.6
157.06482	1.3
157.10107	1.3
159.04449	1.3
159.08060	1.1
159.11705	1.6
160.05200	0.8
161.05988	2.1
161.09612	1.5
161.13213	1.0
163.03918	7.2
163.07559	2.1
163.11186	1.4
163.14819	0.8
165.01834	1.8
165.05446	0.9
167.07053	100.0
168.07388	3.5
169.06482	0.9
169.10136	0.8
171.06567	2.1
171.11708	1.5
173.05992	19.4
173.09572	0.6
173.13293	1.0
174.06454	0.9
175.03920	0.6
175.07536	1.5
175.11163	0.8
177.05492	7.9
177.09053	0.9
177.12743	0.7
178.06239	0.6
179.03439	1.0
181.04968	33.8
182.05403	0.9
183.07990	0.7
185.06021	1.4
185.09656	0.5
185.13277	0.7
187.07614	1.3
189.05496	3.3
189.12773	0.9
190.06261	1.0
191.03415	9.5
191.07042	8.2
191.10632	0.7
193.08612	0.7
195.06546	1.1
197.05974	0.9
199.07526	1.1
199.11259	0.7
199.14813	0.7
201.05501	4.2
201.09198	0.8
202.06046	1.1
203.07071	2.8
203.14241	0.6
203.59773	0.6
204.07726	0.8
205.04976	2.3
205.08647	3.9
211.07567	1.7
211.11275	0.7
213.05493	2.9
213.09271	0.7
214.06306	0.6
215.07048	2.5
215.18231	0.6
217.04964	2.0
217.08636	1.8
218.05707	1.4
219.06540	3.5
220.07318	1.2
223.07487	0.8
223.11139	0.8
227.07050	1.5
229.08617	1.5
231.06552	1.6
231.10156	0.7
232.07205	1.1
233.08098	7.2
235.09650	3.5
241.08633	1.7
243.10219	1.3
245.08092	1.3
245.11807	0.6
251.10712	0.9
255.10182	0.7
257.11743	0.8
269.11725	1.0
271.13141	0.8
273.11188	0.8
273.18512	1.6
275.12964	0.7
287.12817	1.2
297.11389	0.8
297.14706	0.7
299.20145	2.3
301.14313	0.6
302.15167	0.8
313.14310	1.6
315.12030	0.7
317.21149	3.5
325.14343	1.3
330.14618	1.4
330.69733	0.5
331.15311	3.2
343.15479	4.0
348.15628	2.8
353.21246	1.0
355.18948	0.7
363.19418	0.7
371.22208	3.1
381.13412	0.9
381.20627	9.6
387.14417	11.6
388.14792	0.9
399.21689	47.2
400.22012	1.9
417.15445	36.9
417.22665	15.4
418.16022	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93267	1.9
55.01868	5.9
55.05509	16.1
57.03442	3.7
59.04997	3.0
61.02921	3.1
65.03934	3.7
66.24110	2.1
67.05492	8.0
68.99799	5.0
69.03426	4.5
69.92957	9.2
73.02914	2.4
79.05500	8.6
81.03413	7.2
81.07043	6.7
83.04987	19.4
85.02912	24.6
91.05481	5.6
91.07565	4.4
93.07065	2.5
95.04981	4.2
97.02882	7.8
101.06012	20.3
103.03921	7.5
107.04950	25.0
109.02864	8.2
111.00777	4.0
111.04440	24.1
117.06973	4.6
119.08587	2.4
121.02895	5.3
121.06519	2.8
123.04440	10.4
124.03943	8.1
125.06047	2.5
127.03923	27.3
129.05473	20.4
129.06976	3.4
131.08572	7.3
133.02841	2.3
135.04323	2.9
137.05933	2.6
139.03928	20.4
141.06976	3.5
145.06491	8.1
147.04485	4.7
147.06503	15.5
149.02327	7.9
149.05975	4.9
150.03130	8.7
151.03908	62.7
153.01816	3.2
159.08031	11.0
161.05995	2.5
163.03929	14.1
163.07573	3.3
165.01791	3.4
167.07040	30.7
169.04962	14.4
169.06380	5.5
171.06544	3.2
173.05984	17.0
175.03931	4.0
175.07541	2.4
177.01897	4.8
177.05470	7.9
181.04976	31.5
183.02873	3.2
185.05873	2.3
187.03934	10.6
187.07494	16.0
189.05443	3.6
189.07516	2.3
191.03445	5.4
191.07019	20.4
193.04971	40.9
195.02812	2.6
197.05977	4.5
201.05354	5.3
201.09152	3.0
203.07024	24.7
205.04996	18.5
211.07555	2.9
213.05511	4.1
215.07039	100.0
215.09122	4.8
217.05005	10.2
217.08539	5.3
219.02911	8.9
219.06535	10.1
227.07010	5.8
229.04984	5.2
229.08627	15.1
231.02898	2.5
231.06583	16.6
231.08611	4.8
233.08112	16.3
235.06006	19.4
237.07639	6.2
239.07108	3.0
241.08624	2.5
243.06546	56.0
245.08173	2.4
249.07660	5.8
253.06871	4.5
255.06548	4.5
255.08673	13.7
257.08096	42.2
261.04395	3.5
261.07559	29.9
267.08667	8.6
269.08060	19.7
271.09915	3.5
279.08664	10.7
281.08163	7.2
285.07593	24.1
287.09039	4.5
291.46381	2.6
297.07242	18.3
299.09192	18.8
303.08719	14.5
309.07611	6.1
315.08719	5.3
317.10150	8.0
321.09616	9.2
327.08566	8.3
328.25665	2.6
333.09702	20.9
345.09729	13.5
349.92099	2.2
363.10913	6.7
396.86639	3.1
399.13058	3.8
407.92911	2.4
417.15649	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
53.03942	2.9
55.01875	0.8
55.05517	0.8
56.96587	0.7
57.03439	1.3
65.03967	0.7
65.22543	0.5
67.05507	1.6
68.99762	0.6
69.03426	8.6
69.07074	1.4
70.06605	2.4
70.85962	1.1
70.86312	1.1
71.04993	1.7
72.08155	0.8
73.02921	0.9
78.03453	12.1
79.05500	1.8
80.05024	3.0
81.03419	16.4
81.07059	2.2
83.04982	1.2
85.02908	7.6
91.05464	1.6
93.07062	1.7
95.04958	4.5
95.08598	1.2
95.88091	0.6
96.04500	6.9
97.02899	6.0
97.06529	1.6
98.97564	0.7
99.04452	3.6
105.07043	1.2
106.02916	61.4
107.03239	0.7
107.04948	1.9
107.08591	1.6
109.02887	10.8
109.06497	1.2
109.10177	2.3
114.10258	0.9
115.05433	1.0
116.98608	0.6
117.07006	0.8
119.06092	0.9
119.08585	1.6
120.31568	0.5
121.02864	0.8
121.06496	0.8
121.10146	0.7
123.04423	10.6
123.05309	0.7
123.08084	0.6
123.11750	0.7
124.03954	100.0
125.04282	1.3
125.05928	0.5
127.03906	7.8
127.07540	0.5
131.08568	0.8
132.04454	27.1
133.06491	1.0
133.10143	1.2
136.79259	0.6
137.02335	0.7
137.05998	2.0
139.03905	1.3
144.24838	0.6
145.06470	1.7
145.10118	0.7
147.04378	1.1
147.08040	0.8
147.11748	0.7
149.05907	0.7
149.09651	0.8
153.05408	0.7
155.06000	0.6
156.05664	1.3
157.06432	0.6
167.07045	13.3
173.06032	1.6
175.07483	0.6
177.05537	1.2
179.07036	0.8
181.04994	6.2
187.07527	0.7
190.33968	0.5
191.07037	0.9
193.10472	0.7
201.16202	0.6
205.08586	0.7
217.08545	2.4
219.10191	2.9
220.10515	4.1
223.09019	1.0
231.06564	1.2
232.06015	1.6
233.08047	1.2
250.07111	29.2
251.07465	1.5
255.79387	0.6
268.08160	52.6
269.08389	1.3
279.80661	0.6
286.09244	7.3
295.09183	1.2
335.00369	0.6
387.14117	1.7
417.12659	34.6
417.23901	1.0
418.13037	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01864	1.9
56.28542	0.3
57.03437	2.9
59.04977	0.6
60.25005	0.3
61.02929	4.8
65.03947	1.9
67.05481	0.3
69.03430	11.1
70.08080	0.7
70.08502	1.4
71.04983	1.7
73.02909	1.6
80.05001	0.3
81.03423	5.5
83.01327	0.5
85.02907	34.1
87.04446	1.6
90.63737	0.3
91.03957	2.0
91.05476	1.7
93.03417	1.0
97.02895	12.3
98.20789	0.4
99.04465	2.4
103.05464	0.4
103.73168	0.3
107.04916	0.4
108.04496	0.7
109.02874	3.3
109.10180	0.3
111.04462	0.7
112.40965	0.3
115.03868	0.3
117.04486	0.5
117.07020	0.5
118.61496	0.3
119.08559	0.4
121.03950	0.4
123.04408	0.3
124.05212	0.3
127.03920	7.6
136.03925	0.9
145.03949	8.4
145.04979	6.8
145.06303	0.6
151.88408	0.3
157.09998	0.3
163.07547	0.4
167.07039	7.2
172.07585	1.2
173.05968	0.9
181.04961	2.8
182.06059	3.0
191.07037	1.0
200.07028	0.7
209.07074	0.8
210.05473	1.0
228.06557	56.4
229.06900	3.0
233.08026	0.5
237.06593	1.1
255.07648	100.0
256.07986	4.4
387.14267	0.7
396.60410	0.3
417.15555	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	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01877	1.8
55.05525	6.8
56.05028	3.3
56.96567	1.2
57.03432	2.5
57.07074	1.3
58.06587	3.1
59.19767	0.9
61.02942	2.1
63.04289	0.9
67.05517	6.5
69.03171	0.6
69.03442	6.6
69.07074	8.6
70.06599	8.7
70.87724	2.7
71.04999	2.1
72.08170	4.5
79.05508	6.9
81.03422	4.1
81.07066	12.2
82.06591	1.5
83.04984	1.1
83.08624	3.0
84.04510	1.7
84.08125	2.1
85.02913	13.4
85.06549	1.5
85.95651	0.8
86.06075	1.3
86.09704	1.0
87.04483	1.7
89.05987	1.4
91.05487	6.3
93.07052	9.9
94.06564	1.3
95.04980	2.4
95.08613	20.0
96.08129	4.4
97.02894	6.0
97.06538	25.6
97.10197	2.0
98.06055	1.1
98.09702	2.9
98.97592	1.4
99.04471	1.2
105.07045	10.8
106.02937	1.3
107.04993	2.2
107.08611	19.9
108.08115	3.4
109.02866	2.3
109.06528	2.1
109.10165	6.6
110.06086	1.2
110.09692	4.7
111.04522	1.3
114.10313	1.2
116.07111	1.3
117.07023	1.7
119.08595	16.8
121.02854	0.9
121.10149	19.3
121.31721	0.8
123.04443	14.2
123.08043	2.0
123.11739	5.0
124.03962	1.0
125.09624	1.4
126.05534	1.2
127.03946	4.1
130.04980	1.2
131.08615	1.9
133.10143	10.3
135.04442	1.6
135.11699	10.1
136.11214	1.7
137.05995	5.3
137.09616	6.9
137.13286	4.1
138.06358	1.2
139.03941	1.3
139.11211	2.0
140.04652	0.9
142.04947	0.9
144.05673	1.0
145.04973	2.5
145.10146	2.5
147.11717	3.1
148.11169	1.3
149.06018	2.3
149.13269	2.8
151.03908	1.2
153.05504	2.7
159.11769	2.4
161.13266	7.6
162.12840	1.4
163.03961	1.8
163.13559	1.3
165.05536	5.0
167.03415	10.3
167.07146	5.2
167.08379	0.9
168.06604	1.0
173.06012	1.1
173.09561	1.2
175.11986	1.4
175.14842	8.6
177.05490	2.3
177.16405	11.6
180.13907	1.4
181.04944	7.2
181.08554	1.3
191.10689	1.2
192.17487	2.0
193.15952	3.6
195.17448	2.2
200.07915	1.0
201.09178	2.3
204.08765	3.6
210.18599	5.3
217.08847	1.1
218.19051	8.9
219.10179	57.2
219.17557	1.7
220.10541	2.2
222.09758	2.0
236.20110	100.0
237.12526	1.2
238.12712	2.7
238.21703	1.2
254.21230	8.2
273.11252	1.4
274.11615	1.8
341.13739	1.8
372.23770	2.2
398.16803	6.7
398.25150	8.1
416.26498	49.7
416.38547	3.5
417.14914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.5
55.05510	5.2
56.05032	4.3
57.03432	2.5
60.61847	1.7
61.02936	2.3
67.05515	7.9
69.03439	6.0
69.07075	7.7
70.06601	8.4
70.52457	1.4
71.04981	2.7
71.58364	2.6
72.08147	2.9
77.43531	1.5
79.05495	4.9
81.03416	5.2
81.07056	12.6
82.06577	1.8
83.04990	3.3
83.08630	3.4
84.04504	3.7
84.08146	2.7
85.02916	13.5
86.09701	3.9
91.05492	5.0
93.07057	13.1
95.04967	4.0
95.08038	2.8
95.08614	25.9
96.08105	2.7
97.02882	6.3
97.06539	26.4
97.10181	2.3
98.09683	2.5
98.97575	1.8
99.04489	2.9
103.05515	2.1
105.03564	1.9
105.07045	12.4
107.04953	1.9
107.08601	16.6
108.08104	3.4
109.02893	2.0
109.06535	2.6
109.10160	10.4
110.09694	4.6
117.07002	2.8
119.08582	18.6
121.10136	18.2
123.04459	8.8
123.08035	3.3
123.11720	6.2
127.03926	2.9
131.08565	3.2
133.10141	14.4
135.11702	9.0
137.05997	2.1
137.09637	6.8
137.13292	5.2
139.11188	2.2
143.07072	1.9
145.10066	1.9
147.11723	2.7
149.13316	2.7
152.48392	1.7
159.11687	3.0
161.13290	6.9
163.07509	1.9
167.07011	8.0
175.12102	1.8
175.14848	7.2
177.16406	10.7
179.07042	2.3
181.04990	3.9
193.15910	5.0
204.08701	1.8
210.18562	3.2
218.19131	7.6
219.10179	29.7
222.09648	1.8
236.20102	100.0
237.12393	1.6
237.20547	2.2
238.12587	2.1
254.15425	5.0
254.21190	5.0
299.09406	2.3
345.61551	1.6
372.23746	2.0
398.17023	2.5
416.26846	41.1
417.16418	2.7
427.70181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2845
Annotation	6-keto Testosterone Enanthate
Peak:m/z	Relative Intensity
53.03938	0.3
55.01857	0.5
55.05518	1.7
57.07078	2.8
61.19672	0.2
62.85754	0.2
65.03956	0.9
67.05506	3.2
68.48516	0.2
68.99790	0.7
69.07069	2.1
70.72875	0.4
70.73243	0.4
71.08632	1.3
79.05476	0.3
81.07059	0.8
83.08639	1.1
85.10194	0.7
91.05474	0.5
93.07051	0.4
95.04976	3.3
95.08598	0.6
97.06576	0.2
97.10192	0.5
104.91663	0.2
107.04950	0.3
107.08620	0.2
109.06516	0.6
109.10151	0.4
111.04446	9.2
119.08585	0.5
123.04432	100.0
124.04736	2.2
127.69349	0.2
137.05006	0.3
137.05994	3.9
147.04474	0.2
149.05975	0.3
151.07561	0.5
164.07092	0.3
165.09061	0.2
204.17909	0.2
215.06992	0.2
273.72400	0.2
305.24774	0.9
355.76938	0.2
397.57605	0.2
403.06577	0.2
405.81927	0.3
415.28439	69.6
416.28824	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	416.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81398	0.4
53.03929	2.1
55.01861	0.6
57.03413	1.0
59.06073	0.5
61.02909	1.2
65.03939	0.4
69.03432	8.5
70.06585	0.8
71.04979	1.5
71.14439	1.1
72.08135	0.9
77.03927	0.6
81.03414	2.7
82.41669	0.5
85.02906	15.2
86.06049	1.5
87.05582	4.1
95.04972	22.7
96.05318	0.5
97.02899	3.0
99.04439	1.3
104.04321	0.5
104.04969	2.2
105.04522	0.8
107.04953	3.7
109.02869	1.7
111.04414	0.6
121.02841	0.5
122.06033	0.6
123.04431	77.1
124.04774	1.1
127.03909	4.8
131.26944	0.5
132.04456	100.0
133.04788	1.8
136.07594	0.8
142.65338	0.5
145.04971	3.4
146.05997	0.9
147.04405	0.6
148.07584	0.8
150.05539	1.0
164.07054	0.7
175.08591	0.5
181.04974	1.6
191.08229	0.9
201.33215	0.5
236.06993	0.6
236.10464	0.9
254.08356	1.0
254.11467	2.1
267.08606	2.9
285.09698	1.2
416.13541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	7.3
57.03440	2.1
64.19080	1.6
69.03429	4.5
70.06591	3.0
71.59055	2.0
74.06081	100.0
81.03421	3.6
84.04491	3.9
85.02911	12.6
86.04867	1.8
86.06059	2.3
86.55273	1.8
87.05589	3.6
95.04971	13.7
96.04440	2.3
97.02890	6.1
98.06055	7.8
98.97577	4.2
102.05538	6.4
109.02881	5.9
116.07090	44.4
116.98573	2.5
120.06583	18.7
123.04433	38.7
125.25594	1.9
127.03895	6.3
128.85593	2.1
132.04459	58.4
133.04816	3.1
136.07529	2.0
140.74052	2.0
144.05525	3.6
144.06578	55.5
144.07716	2.8
145.04948	3.8
147.04416	6.9
148.03902	4.8
150.05548	2.2
162.07585	9.5
224.07445	1.9
237.02841	3.6
262.44925	2.2
264.10867	2.1
270.09793	13.1
285.09839	1.8
288.10788	5.8
303.40457	1.9
306.03915	1.9
306.11780	2.9
324.02014	1.9
357.73477	1.8
416.11670	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	415.2329
Annotation	Tentoxin
Peak:m/z	Relative Intensity
53.03937	7.5
53.10772	4.9
55.05503	15.9
67.05508	28.4
69.03439	14.8
69.07073	31.9
70.81287	6.6
71.04969	7.2
71.58661	6.2
71.59084	7.4
79.05477	32.8
81.03439	8.9
81.07058	93.1
82.53384	5.3
83.08604	9.4
85.02901	16.4
91.05449	34.6
93.07043	58.6
95.04980	22.8
95.08616	77.0
97.06520	11.2
105.07027	33.5
107.04980	24.8
107.08592	73.4
109.10152	42.8
111.04433	7.2
111.08096	9.4
117.07031	9.4
119.08577	57.7
121.06454	10.6
121.10162	20.8
123.04456	6.3
123.08094	9.4
123.11659	11.6
125.05994	12.9
125.09641	12.2
131.08559	14.3
133.10136	51.6
135.08066	13.1
135.11697	54.7
137.05971	17.7
139.07532	12.9
139.11140	7.3
143.08560	7.2
145.06511	10.0
145.10129	7.5
147.11703	38.0
157.10229	7.3
159.11743	7.5
161.09633	11.0
161.13289	18.3
167.07016	29.3
173.06058	6.4
173.13301	10.1
175.14865	12.7
179.10774	10.1
181.04971	37.9
187.07579	9.5
189.16391	100.0
195.06601	17.9
199.14850	11.1
217.15878	28.0
235.16905	16.4
242.96080	6.6
271.72089	6.2
387.14478	17.1
415.14005	29.5
415.20639	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	415.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05513	3.9
67.05482	3.5
69.03434	8.8
69.07088	4.7
69.43063	18.0
69.43480	5.2
70.06612	11.1
71.03165	2.1
72.08157	6.2
73.02908	2.1
73.36444	2.3
79.05499	9.1
81.03414	8.5
81.07073	11.9
81.18275	2.1
83.04963	2.1
85.02909	12.3
85.17756	2.2
86.09700	5.3
87.04434	2.1
91.05473	11.8
93.07049	8.1
95.04974	4.5
95.08613	7.7
97.02887	5.3
97.06541	11.1
99.04411	2.8
103.05473	2.9
105.07041	7.8
107.04965	6.9
107.08586	5.1
109.02892	6.8
109.06525	3.1
109.10157	5.7
111.04443	5.5
114.10323	2.9
119.04913	2.9
119.08590	5.6
121.06509	3.4
121.10116	4.7
122.03674	3.7
123.04427	6.2
123.11673	2.2
124.07587	2.8
125.06046	2.4
127.03935	4.8
128.06245	3.1
129.07037	6.4
131.04980	2.6
131.08554	5.8
133.10098	4.3
135.11710	2.7
137.05981	85.9
141.07045	2.5
143.08586	3.6
144.05724	3.6
149.05969	4.5
149.13312	2.9
151.07549	6.6
152.06210	3.0
155.08566	4.6
157.06548	2.8
157.10124	3.0
159.08073	5.1
161.05971	15.7
161.09570	4.9
163.07565	4.3
165.05511	2.8
165.07019	4.4
167.07031	6.8
167.08437	2.9
169.06493	4.7
171.08037	3.7
172.08817	2.9
172.10910	2.7
173.09607	5.3
174.06845	3.6
175.07555	45.8
175.11324	3.4
177.00603	2.7
179.07062	9.7
181.04988	3.9
181.12286	3.3
182.07321	6.9
183.08145	4.2
184.08771	4.2
185.06024	4.6
185.09647	8.4
187.07454	5.8
189.09111	7.2
191.07051	12.4
195.06393	3.0
197.09627	10.2
198.06822	15.0
199.07591	9.3
200.08278	4.9
201.09145	5.4
209.75005	2.6
212.08351	5.8
213.09100	27.8
215.10741	7.3
217.08623	8.1
217.12228	2.7
219.10112	17.5
225.09187	12.3
229.08746	4.9
231.10222	4.1
235.09731	8.2
235.16954	7.0
243.10245	21.2
253.10841	2.8
253.14183	2.6
255.10237	6.7
261.11234	4.3
273.11240	69.9
291.10181	2.5
292.10873	2.3
294.65228	2.5
303.10223	3.1
307.09521	3.6
321.11337	3.9
327.00021	2.6
349.14383	4.5
351.12457	4.3
354.14645	5.7
355.15033	2.5
367.15466	4.0
379.15192	4.3
397.16510	100.0
398.03043	2.6
415.19012	11.0
415.25281	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	415.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21348	1.5
51.08013	1.6
55.05500	2.7
57.03419	3.4
58.99565	2.5
63.24260	1.7
68.05042	1.8
69.03426	2.6
69.92581	2.0
71.05091	4.4
76.02222	2.4
79.05496	5.1
81.07058	38.2
82.06564	2.6
84.04504	45.7
85.02917	4.0
91.05492	3.8
94.06540	5.2
97.02872	1.9
97.06522	2.5
98.09702	2.5
102.05564	2.1
108.08125	16.9
109.02839	4.0
111.05199	1.8
113.04263	1.9
114.05524	17.0
116.01679	4.3
122.09679	3.0
123.04438	1.7
123.07954	1.7
124.11240	2.5
127.03926	5.6
128.07054	2.1
130.05005	58.9
132.75371	1.6
137.05981	63.3
140.07045	3.5
142.03253	3.5
142.05009	33.6
156.06558	12.3
156.08447	13.2
156.10286	2.4
162.02187	6.1
164.10672	4.3
166.06927	3.2
168.06551	12.9
171.11659	1.6
175.07495	5.9
179.07027	63.6
183.09514	2.4
210.09290	3.8
210.11263	65.9
217.08614	3.7
219.10129	3.2
235.16928	3.8
237.12338	100.0
238.12648	3.3
242.34799	1.9
245.05783	3.2
253.10660	9.1
259.11145	7.2
265.23370	1.6
285.12735	4.9
295.11160	3.0
312.13794	37.8
313.11975	17.9
340.13254	20.9
361.12729	2.3
379.13940	2.8
388.15390	24.7
389.15491	2.4
398.13617	7.6
415.16586	6.6
415.22943	27.7
418.41019	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15799	0.9
55.01852	1.5
55.05505	5.1
56.05038	2.0
60.05432	0.9
61.02930	1.3
64.46040	1.0
67.05526	2.4
68.05023	2.7
69.03442	2.5
69.07074	2.4
70.06574	5.1
71.57581	1.6
72.08160	1.8
76.02235	1.7
79.05488	6.1
80.05018	1.5
81.03437	1.3
81.07056	38.8
82.06574	1.3
83.04995	1.3
83.08606	1.5
84.04506	47.4
85.02908	3.5
85.04859	1.1
86.00658	1.0
86.06074	2.2
86.09697	1.9
91.05489	3.5
93.07027	2.0
94.06570	2.7
95.04979	1.5
95.08611	2.6
96.04494	1.4
97.02874	1.9
97.06534	3.9
98.06033	1.1
98.09697	1.9
98.77211	1.1
98.97603	1.3
105.07033	1.9
107.04967	1.6
107.08587	2.2
108.08116	11.9
109.10154	1.9
110.06077	1.7
111.04449	2.3
112.03997	1.0
112.08725	1.1
114.05524	15.1
116.01678	3.2
119.08565	1.7
119.37150	1.0
121.10159	3.4
122.09653	2.2
123.04436	2.4
124.11259	2.7
127.03918	2.1
128.07108	2.8
129.74466	1.0
130.05008	52.2
133.10109	1.5
135.11697	2.8
136.11227	1.1
137.05988	7.1
137.13335	0.9
139.05829	2.4
140.07024	2.3
142.03249	2.6
142.04991	24.0
144.04700	1.0
145.10133	1.3
156.06557	12.1
156.08414	6.7
156.10222	1.7
162.02242	2.0
163.11110	2.0
164.10724	2.7
166.06874	3.8
167.07123	1.2
168.06564	9.2
172.04228	1.5
172.10811	1.2
176.15231	1.0
177.05518	1.2
179.07066	3.8
182.11723	1.1
183.09479	2.4
191.10611	1.2
210.11261	56.0
211.11519	1.4
213.09074	1.6
219.10196	4.3
236.20126	2.1
237.12343	100.0
238.12476	1.5
243.10229	2.0
245.05885	1.7
259.11130	4.4
273.11292	3.8
285.12683	3.3
295.10913	1.6
305.93689	1.1
312.13766	25.4
313.12042	7.2
340.13245	28.4
345.87857	0.9
388.15308	17.9
397.16275	4.7
415.17728	1.8
415.22693	10.5
415.25131	10.2
416.26028	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.5
55.01867	2.4
55.05512	52.7
56.96572	1.8
57.03429	3.7
59.05000	8.6
61.02920	2.7
64.30119	1.0
65.03939	3.8
67.05503	2.0
69.03432	27.7
70.06596	3.5
70.85547	3.0
71.05002	6.7
72.08131	1.9
73.02927	4.1
75.01259	1.1
79.05493	3.9
81.03418	35.3
81.07079	2.2
83.04984	100.0
85.02423	2.1
85.02908	33.1
86.03294	1.3
87.04488	1.9
91.05485	9.8
92.05798	2.1
93.07063	3.2
95.04985	2.4
95.08633	2.4
97.02892	20.9
97.06530	2.6
98.09704	1.2
98.97596	1.8
99.04463	7.6
101.06036	5.9
103.03945	7.8
103.05435	1.5
105.07008	3.6
107.04944	6.9
107.08611	1.5
109.02882	29.5
109.06535	2.5
111.04440	15.3
117.07030	3.2
119.08589	2.7
121.03958	1.6
121.06517	2.4
123.04419	3.8
123.08096	1.2
124.07636	1.4
125.06015	2.1
127.03075	1.1
127.03931	26.3
131.04901	2.6
133.10139	2.9
135.04414	4.6
135.08061	1.7
137.05989	2.8
139.03897	33.4
143.07005	10.1
145.04976	9.7
145.06480	2.6
147.04428	3.0
147.11703	4.6
149.06029	2.7
151.07524	1.5
153.05426	2.1
161.05975	1.6
163.03908	8.2
163.07506	1.5
167.07054	3.4
169.04942	1.9
171.06535	34.3
173.05978	2.9
177.05447	3.7
179.07072	1.9
181.04900	5.8
183.06531	6.7
185.08148	5.7
189.07550	1.4
190.06300	1.2
192.04208	1.8
195.06532	9.7
201.05573	3.0
203.03426	1.9
203.09058	1.4
205.04837	2.7
207.06529	6.4
207.13840	1.6
209.08179	3.8
213.07578	7.0
221.08141	2.2
222.05266	1.2
227.09142	35.4
233.08138	6.8
235.06064	3.3
237.02888	1.6
237.07635	5.4
238.07866	1.4
245.10255	6.7
246.05295	1.5
251.09007	1.4
253.10742	2.1
261.07568	26.1
279.08630	13.6
281.10492	1.5
386.18173	1.2
415.14841	1.9
423.16635	1.5
426.64529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01876	2.3
55.05510	1.4
58.99590	9.6
61.01128	0.5
61.02909	0.5
62.57040	0.5
65.03938	0.5
67.05499	3.8
68.99785	0.6
69.03429	50.1
69.07063	1.4
69.95934	2.2
70.03764	0.6
70.06589	1.7
71.04992	0.8
73.01143	4.0
73.02940	0.5
75.02706	0.8
79.05482	2.2
81.03416	0.9
81.07070	2.5
82.01161	0.5
83.04980	2.1
85.01138	4.5
85.02884	1.1
86.76322	0.5
86.99055	7.1
87.00833	7.0
87.04456	1.6
89.00613	0.8
89.04258	0.7
91.05482	1.6
93.07057	4.0
95.04977	2.6
95.08618	2.7
97.02918	0.8
97.06533	0.6
98.20765	0.5
99.02689	4.3
101.00582	1.3
103.02178	0.6
105.00080	4.1
105.07022	1.7
107.04956	1.5
107.08603	1.5
109.02876	11.9
109.06495	2.3
109.10154	11.8
109.10909	0.6
111.04469	0.5
113.00591	29.1
113.04230	2.7
115.05470	0.5
117.03677	2.2
117.07052	0.6
119.01637	2.8
119.08601	2.5
121.06522	2.0
121.10156	2.4
122.07309	0.4
123.04436	1.2
123.08075	0.8
125.05972	1.0
127.03978	0.5
127.05782	0.5
128.07033	0.5
131.01627	7.1
133.10127	1.1
135.08047	0.9
135.11658	0.7
137.05981	5.1
137.09622	2.6
139.11195	8.8
141.03723	1.0
145.03185	6.2
145.10126	0.5
147.01193	0.7
147.04405	0.5
147.07968	0.6
147.11671	1.1
149.05966	1.6
149.09642	0.7
151.07542	1.3
153.05450	2.3
161.05968	0.5
163.04256	3.3
163.11147	0.8
164.39799	0.5
165.09145	0.7
167.07048	3.0
168.10207	0.7
171.11751	0.5
173.02684	3.1
173.05980	0.8
175.14796	0.5
177.05466	2.1
179.07042	1.7
181.04962	1.7
183.04755	56.3
184.05049	1.6
189.12741	4.1
191.00145	3.1
191.03784	3.1
191.07060	1.0
193.08614	0.7
195.06564	0.8
197.09979	0.8
203.14204	0.5
207.13818	2.0
219.06516	1.1
233.08061	0.5
235.16940	0.9
239.11005	100.0
240.11333	3.4
249.04266	0.6
253.10812	0.9
255.06929	0.5
259.02625	0.4
260.66791	0.5
261.07520	0.6
283.13635	1.9
294.13489	0.5
311.13107	3.9
329.14200	1.5
346.79956	0.5
371.27948	0.4
397.16574	0.7
415.14297	1.4
415.22403	0.5
415.27490	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	413.2688
Annotation	Strongylophorin 16
Peak:m/z	Relative Intensity
51.02378	0.2
53.03934	0.4
55.01876	0.9
55.05511	1.7
56.96552	0.4
57.03434	0.2
57.07070	0.3
65.03942	1.0
67.05505	4.7
68.99793	1.3
69.07065	1.4
69.90826	1.1
71.05005	0.3
77.03946	0.2
79.05501	1.6
81.03425	0.6
81.07056	3.0
83.04988	0.2
83.08610	0.7
84.74278	0.2
85.02893	0.4
91.05482	1.2
91.17010	0.2
93.07053	1.0
95.04977	4.3
95.08620	1.1
97.02877	0.3
97.10159	0.6
103.05507	0.4
105.07027	0.7
107.04959	1.4
107.08578	0.4
109.06517	0.8
109.10162	0.6
111.04467	1.5
111.57094	0.2
117.07003	0.5
119.04926	0.3
119.08585	0.5
121.02888	0.7
121.06519	1.5
121.10139	0.4
123.04436	100.0
124.04689	0.9
125.09586	0.2
131.04887	0.2
131.08569	0.7
133.06490	0.7
133.10152	0.3
135.08061	0.5
135.11734	0.2
137.05983	4.9
137.09641	0.2
145.10110	0.4
147.08038	0.4
149.05992	5.6
151.07530	0.4
153.41512	0.2
160.79172	0.2
163.07565	2.9
163.11136	0.4
164.07079	0.3
165.09151	0.3
176.82343	0.2
177.09122	0.5
190.40317	0.2
191.10580	0.2
197.15297	0.2
227.07036	0.2
240.32141	0.2
273.18561	0.8
285.10013	0.3
291.19583	1.4
303.23257	0.9
327.23056	0.3
349.17102	0.2
367.17459	0.2
395.21793	0.3
395.26160	0.3
413.26892	29.7
414.27280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.3
59.04991	0.6
68.78589	0.2
69.03419	0.5
69.07061	0.3
70.06596	0.4
70.71765	0.2
70.86403	0.6
71.04990	0.5
79.05511	0.2
81.03417	0.3
81.07024	0.4
83.04977	0.4
85.02911	0.9
86.09704	0.4
91.05488	0.3
93.07026	0.3
95.08613	0.4
97.02862	0.3
98.97569	0.4
100.98637	0.2
105.48030	0.2
107.04984	0.2
107.08627	0.4
109.02879	0.2
109.10190	0.2
116.98638	0.4
117.09171	0.2
119.01908	0.3
121.10160	0.3
132.04405	0.3
137.05983	0.4
139.03879	0.5
170.90862	0.2
175.14812	0.2
177.00774	0.5
177.05481	0.4
181.04938	0.4
184.07332	1.3
185.07686	0.3
237.02939	0.3
241.34268	0.2
251.09193	0.5
251.18535	0.2
281.43076	0.2
289.05136	0.2
307.10577	0.3
311.01184	0.2
413.21487	100.0
414.21832	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	413.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
58.14153	0.4
62.83202	0.4
65.03947	2.7
67.05505	4.0
69.03428	0.8
69.36981	4.2
70.06585	0.9
71.04967	0.4
72.08135	0.4
81.03422	0.6
81.07074	0.6
83.04985	10.4
84.61439	0.3
85.02914	0.8
93.07098	0.4
95.04974	100.0
96.05303	1.1
97.02888	0.4
98.97602	0.5
105.07053	0.7
107.08619	0.5
109.02885	0.5
113.06016	12.7
113.06783	0.8
121.10189	0.5
127.03963	0.4
128.07083	0.5
130.12131	0.4
133.10176	1.3
137.06023	0.5
137.09619	0.7
139.03914	0.7
145.02856	0.4
147.04390	0.6
150.83040	0.4
177.05565	0.4
191.14275	0.6
207.98793	0.4
233.15306	0.5
251.16266	0.8
257.10129	0.6
319.08035	0.4
413.04883	1.0
413.21475	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	413.2686
Annotation	Robustol
Peak:m/z	Relative Intensity
55.01867	0.7
55.05500	1.0
57.03434	0.5
65.03944	0.4
67.05503	3.1
68.99792	1.1
69.07064	0.5
69.65323	2.8
79.05475	0.7
81.07069	1.7
91.05487	0.7
93.07040	0.6
95.04977	3.4
95.08598	0.7
97.76662	0.4
98.21490	0.6
105.07012	0.4
107.08622	0.5
109.06514	0.4
111.04435	0.8
119.04950	0.4
121.02877	0.4
121.06509	0.6
121.10130	0.4
123.04431	100.0
124.04757	1.0
127.03873	0.4
133.06401	0.4
137.05994	2.7
149.05977	4.3
151.07536	0.6
161.13268	0.3
163.07523	2.9
167.12637	0.5
180.50972	0.3
182.86464	0.3
226.18803	0.4
303.23141	0.4
333.79572	0.4
348.69388	0.4
377.26849	0.6
413.26874	36.0
414.27289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.75801	0.2
55.05499	0.3
67.05516	0.2
69.03424	0.5
70.06597	0.5
70.86543	0.6
71.04978	0.2
72.36262	0.2
80.50719	0.2
85.02895	0.5
85.14164	0.2
86.09709	0.3
97.02888	0.3
98.97585	0.3
105.07040	0.3
107.08602	0.3
109.10163	0.4
119.08625	0.3
121.10168	0.3
127.03869	0.2
132.04474	0.6
133.10132	0.3
135.11714	0.4
137.05998	0.3
139.03928	0.6
145.06519	0.2
161.02942	0.5
184.07384	0.9
185.07742	0.4
198.09142	0.4
220.15727	0.2
251.09283	0.3
251.11816	0.3
413.21475	100.0
414.21863	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	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.05496	0.8
56.96560	0.9
57.58669	0.5
59.33943	0.5
60.15027	0.5
67.05489	0.7
69.03423	1.6
69.07076	0.8
70.06593	1.9
70.84185	1.3
71.04995	1.3
72.08173	0.7
79.05516	0.9
81.03440	1.3
81.07063	0.8
83.04969	1.0
85.02914	3.0
86.09698	1.2
91.05473	1.4
93.07073	0.9
95.04959	1.1
95.08598	2.0
97.02912	1.3
98.97565	1.3
99.04453	0.8
105.07030	1.8
107.08571	0.8
109.02899	1.1
109.06490	1.0
109.10145	0.9
113.06080	0.6
116.98629	1.1
117.92265	0.5
119.08589	3.2
121.10137	1.1
123.08086	1.2
124.07600	1.2
127.03928	1.4
131.08554	0.7
133.10114	1.2
134.99713	1.1
135.11696	0.8
137.05948	0.6
139.03908	2.2
145.10081	1.0
147.04408	1.5
147.08035	0.6
147.11688	1.8
149.09630	1.0
151.03905	0.6
151.07556	0.6
161.05989	0.6
162.56412	0.5
163.03947	0.6
175.14847	0.7
177.00758	0.9
177.05389	1.1
189.12733	1.0
203.05370	0.8
205.08560	0.7
207.13808	1.5
225.23480	0.6
237.02890	0.9
245.04375	0.7
251.05562	1.7
251.09213	1.4
264.08960	0.7
293.15756	0.6
413.21512	100.0
414.16772	0.8
414.21695	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	413.2149
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
69.03410	0.3
69.29745	1.8
70.06583	0.5
75.10848	0.2
85.02902	0.5
91.05458	0.3
95.04964	0.2
95.08601	0.2
97.02881	0.2
98.97543	0.3
107.08580	0.2
109.02904	0.3
117.03383	0.2
121.10129	0.2
123.04465	0.3
127.03954	0.2
132.04453	1.0
140.69913	0.2
145.02765	0.2
161.02997	0.2
169.32680	0.2
177.05501	0.4
177.81978	0.1
203.05394	0.2
213.06732	0.2
219.10126	0.2
224.12553	0.2
233.08168	0.2
251.09186	0.2
251.16219	0.3
277.88730	0.2
365.19205	0.3
413.21451	100.0
414.21808	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01867	0.9
55.05511	0.8
56.96559	0.5
57.03434	0.7
65.03934	0.3
67.05501	1.2
69.03428	1.4
69.07090	0.6
70.06586	1.2
71.04987	0.5
71.14760	0.9
79.05491	1.1
81.03413	1.4
81.07072	1.0
83.04989	0.6
84.04475	0.4
85.02894	2.5
85.06549	0.9
86.09708	0.5
87.04454	0.5
91.05515	0.9
93.07051	0.7
95.04984	2.3
95.08599	1.0
97.02911	1.7
98.97585	0.6
105.07043	0.9
107.04958	9.8
107.08590	0.8
108.05305	0.4
109.02895	1.7
109.10175	0.5
111.04465	0.6
115.03931	0.7
116.98651	0.5
117.90702	0.4
119.08649	0.5
121.02887	1.6
121.10135	0.6
123.04434	2.0
124.07653	0.6
126.89243	0.4
127.03951	1.8
131.04930	0.5
132.04465	4.8
133.02890	1.2
135.04402	2.6
139.03909	27.5
140.04239	0.6
145.02852	0.7
145.04982	0.9
147.04497	0.9
149.06009	0.5
151.03911	14.5
152.04222	0.4
153.05492	1.1
159.04396	0.8
163.03915	7.1
165.05470	0.6
165.64952	0.4
167.07040	0.4
169.04938	1.9
169.37102	0.4
173.06046	0.5
175.03935	1.3
177.05505	1.6
179.03384	0.6
181.05022	2.9
181.06421	0.7
189.05481	1.2
193.04944	2.0
195.06558	0.9
203.07034	0.8
205.04996	0.7
215.03458	0.5
219.06615	0.5
231.06514	0.6
233.08063	0.9
245.08102	1.9
247.06102	0.6
255.02859	0.7
255.06665	0.4
258.37689	0.4
259.06015	0.6
282.09778	1.1
283.06104	0.5
301.07172	1.9
307.08237	0.9
319.08145	23.3
320.08554	1.0
381.06201	1.2
412.12793	0.4
413.21484	100.0
414.22006	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
65.31721	0.1
68.99784	0.3
69.03419	0.3
70.06580	0.5
70.55085	0.3
70.55486	0.3
71.05000	0.1
72.63197	0.1
85.02898	0.4
91.05470	0.2
95.04988	0.2
97.02874	0.3
98.97559	0.2
99.04447	0.3
111.00782	0.1
112.07623	0.3
121.02873	0.8
125.02340	0.1
127.03941	0.3
139.03889	0.1
149.06017	0.4
151.03947	0.2
153.01843	4.7
163.03929	1.2
173.80182	0.1
177.05482	4.0
192.04196	4.3
205.04982	19.3
206.05432	0.7
233.04434	0.5
237.03117	0.1
251.05530	100.0
252.05879	3.2
259.61569	0.1
306.73032	0.1
413.10712	0.4
413.21774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.5
56.96558	2.0
63.03187	1.3
67.05495	2.0
69.03404	4.7
70.06577	4.1
70.31454	1.4
71.04957	2.0
71.08675	1.5
71.17975	3.3
72.08163	1.6
74.06096	1.6
74.77960	1.4
81.03413	2.1
85.02910	9.2
85.07646	3.2
85.65238	1.6
89.06033	1.5
91.05473	3.6
95.04958	2.9
97.02879	5.1
98.97552	1.7
103.03877	1.7
105.07072	1.4
107.04969	3.0
110.06038	2.7
112.12167	1.5
115.05448	1.6
116.98623	3.4
119.03509	1.9
120.06585	9.6
123.04390	2.4
127.03915	2.3
132.04453	5.1
136.06190	100.0
137.05991	2.5
139.03899	4.2
142.08635	2.0
145.05023	1.5
147.04349	1.5
151.03870	4.0
153.01819	2.9
158.99706	2.8
161.05893	2.0
162.04123	65.3
167.07053	3.1
175.05945	1.7
177.00842	1.6
177.05452	5.9
205.05002	13.1
207.06529	3.7
224.98778	1.6
233.08221	2.0
237.07664	1.8
245.08116	2.1
251.05544	72.1
261.07565	3.2
279.08661	7.0
281.09946	68.3
297.09766	2.5
319.08115	4.5
379.56729	1.7
413.14160	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
55.01845	1.1
55.05519	3.2
56.05039	3.3
56.96556	0.7
57.03425	0.7
57.07042	1.0
60.04520	2.4
62.91286	0.3
67.05505	11.5
68.05009	0.7
69.03432	3.8
69.07078	2.7
70.06561	0.8
71.04988	2.4
71.08611	0.7
71.61149	0.5
71.61528	0.3
72.08130	1.1
79.05498	10.6
80.05008	3.1
81.03414	2.1
81.05801	2.5
81.07060	10.2
82.06187	0.4
82.06583	4.6
83.04968	0.6
83.08634	2.9
83.12875	0.3
85.06519	1.5
87.04475	2.3
88.19519	0.4
91.04958	0.6
91.05482	7.0
93.05780	1.0
93.07044	21.5
94.06569	17.7
95.04967	4.0
95.08612	20.1
95.09229	0.7
96.08134	4.1
97.02884	0.4
97.06536	5.0
97.10150	1.4
99.04450	0.7
103.05435	0.5
105.04502	0.5
105.06385	0.8
105.07034	10.2
106.06586	0.6
107.07345	3.1
110.09682	10.9
111.08080	14.7
120.08113	0.8
121.10121	0.8
122.09669	32.7
123.08070	25.9
128.10721	36.9
133.10110	0.5
135.11650	0.5
137.05991	1.0
140.10704	100.0
141.09106	10.6
141.10931	0.7
153.50342	0.4
158.11780	8.7
158.13013	0.8
195.11945	0.4
254.24931	1.2
271.91565	0.4
272.25854	7.6
278.28384	0.5
284.12918	0.5
313.09851	0.5
342.49362	0.4
364.32373	1.2
367.18109	1.1
376.32224	1.3
382.33167	5.3
394.33179	13.8
395.33496	0.6
400.02353	0.4
412.34305	13.3
413.27020	0.5
413.34897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88012	0.2
55.01879	0.4
55.05517	0.2
57.03414	0.2
60.01497	0.2
68.99789	0.2
69.03437	0.3
70.06599	0.9
71.24895	0.4
85.02900	0.6
97.02888	0.4
99.04458	0.4
112.07573	0.3
113.42117	0.2
115.05488	0.2
121.02878	0.5
121.06519	0.2
140.07024	0.2
144.79413	0.2
149.05989	0.3
153.01833	4.5
163.03888	0.8
177.05476	3.8
185.32848	0.2
192.04210	4.2
199.46518	0.2
205.04977	19.9
206.05478	0.4
212.03152	0.2
233.04356	0.3
251.05528	100.0
252.05864	3.2
259.34091	0.2
300.00153	0.2
402.05750	0.2
413.11069	0.4
413.22070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47352	1.4
53.03957	2.2
55.01885	1.6
56.05029	6.7
56.96561	4.4
57.03435	3.6
59.06122	6.7
60.04531	2.5
61.02917	4.7
66.81483	1.3
68.08694	1.4
69.03432	13.8
69.04544	3.6
70.06603	4.4
70.79595	4.4
71.04990	1.7
73.02914	2.5
78.21855	1.4
81.03423	6.5
83.06111	52.8
83.06606	3.1
85.02911	30.3
85.07659	13.5
86.08459	2.6
87.04481	4.5
87.09218	1.8
89.51862	1.3
91.05479	2.3
93.03447	1.5
95.04985	12.3
97.02897	11.5
98.06066	1.5
98.97581	15.4
99.04478	1.9
99.97907	1.7
101.07179	4.6
104.05010	4.6
109.02869	4.2
110.06065	2.0
110.97623	2.4
111.04441	3.6
112.08736	2.1
115.03932	1.6
116.98649	12.4
117.98885	1.7
121.06506	2.8
122.05995	1.9
123.04434	41.5
124.04781	2.3
126.05557	3.0
127.03942	6.2
128.98639	4.6
132.04460	100.0
132.08093	1.8
133.04837	5.7
134.06047	2.1
134.99701	3.8
136.03955	1.8
136.07568	5.2
139.03929	5.5
141.06546	1.6
143.00209	3.0
145.05013	5.3
145.07622	2.3
146.06053	7.8
146.99675	3.3
147.06795	1.8
148.03973	2.1
148.07547	1.9
152.07109	2.4
158.99657	7.2
160.07639	4.4
161.01292	2.9
161.02927	1.8
161.07115	1.9
162.05533	4.3
163.08665	2.1
164.07079	4.4
170.99768	2.8
171.05557	2.4
173.07137	4.9
176.07085	2.6
177.00723	11.0
177.10225	4.1
187.08646	3.3
188.07077	3.8
189.00717	2.8
189.06607	7.9
191.08176	5.2
197.07106	1.9
201.00668	3.0
204.08823	1.7
205.09805	7.7
206.10251	2.7
207.07750	4.1
214.09764	5.6
215.08189	10.4
219.01811	10.9
223.10878	4.8
231.01904	1.6
232.10864	14.8
233.09221	5.2
237.02867	15.1
250.11880	43.0
251.05438	3.4
251.12306	1.9
261.02859	4.9
279.03845	10.7
292.03735	1.8
321.04990	10.7
371.08395	1.7
394.15942	3.0
399.08188	2.6
410.07416	2.3
412.17221	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	411.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01870	1.2
55.05513	8.1
56.96556	1.9
57.03447	1.7
57.07073	4.2
61.02925	1.4
65.25578	0.9
66.92682	0.7
67.05506	8.8
68.61007	0.7
69.03430	7.7
69.07067	15.7
70.06590	1.1
71.05002	7.2
71.08604	1.1
71.57473	1.4
73.02927	1.7
79.05512	2.8
80.86193	0.8
81.03433	3.1
81.05727	0.8
81.07065	11.1
83.04993	2.4
83.08621	10.7
84.96033	1.3
85.02911	11.5
85.06544	32.5
87.04472	3.1
89.06039	1.7
91.05455	2.0
93.07047	7.5
95.04951	1.4
95.08610	25.5
97.02899	7.0
97.06539	1.8
97.10172	1.6
98.97588	4.3
99.04466	1.2
99.08102	21.9
100.08483	1.0
105.06990	2.0
107.04965	2.1
107.08592	13.6
109.02865	1.7
109.06510	0.9
109.10160	13.6
111.04484	1.1
111.08096	2.3
111.11738	3.2
113.09653	3.5
115.03929	3.2
116.98637	2.1
119.08571	1.6
121.02867	10.3
121.10151	15.5
122.10573	1.0
123.11739	2.7
125.09616	1.8
125.13290	2.5
127.03913	3.2
127.11215	5.2
133.04980	3.1
133.10118	1.9
134.99644	1.2
135.11694	9.2
137.05957	1.4
137.13272	7.7
139.03903	2.4
139.11179	4.3
140.04643	0.8
143.14308	0.9
145.04961	1.4
147.04434	1.9
147.11647	0.9
149.13318	1.6
149.48843	0.8
151.03941	3.7
151.07437	0.8
151.11195	1.5
151.14828	4.0
153.12753	6.0
157.12325	1.3
158.99661	1.5
167.07018	1.0
169.15891	7.4
171.13829	2.4
171.26721	0.9
177.00790	1.8
177.16397	24.6
178.16667	1.0
184.07166	0.8
187.07704	1.5
195.17464	14.8
196.17947	1.3
209.15378	1.3
213.00745	1.7
213.18497	46.9
214.18945	1.5
215.09396	4.3
231.19556	55.5
233.11769	0.9
243.06526	0.8
245.08185	0.9
249.11322	1.5
249.20618	21.1
249.23035	1.5
250.20834	0.9
273.07635	2.3
393.09756	1.0
393.18381	1.1
410.70819	1.2
411.19934	100.0
412.20352	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	411.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42225	1.2
55.05507	11.3
56.96577	1.5
57.03433	2.2
57.07061	5.3
61.02922	1.8
67.05501	12.7
69.03419	2.7
69.07068	22.9
69.76922	6.9
70.06599	1.4
71.04986	13.1
73.33528	1.2
79.05503	5.1
80.76973	1.3
81.03403	1.5
81.07058	18.7
83.04984	2.2
83.08620	16.0
85.02917	11.4
85.06543	50.5
86.09697	2.1
87.04449	1.3
89.06021	3.1
91.05488	2.3
93.07046	10.7
95.08607	33.7
96.08936	1.7
97.02878	3.1
97.06544	1.6
97.10147	4.3
98.97552	1.8
99.04424	1.9
99.08098	38.9
99.08752	2.5
105.07040	2.1
107.08599	23.5
109.10171	20.6
110.10504	1.2
111.08124	1.3
111.11744	8.0
113.09643	3.8
121.10152	26.7
123.11734	3.0
124.99987	3.0
125.09542	2.9
125.13279	3.3
127.03931	2.9
127.11205	10.2
135.11699	18.9
137.05983	1.4
137.13266	13.3
139.11174	5.3
143.14322	1.8
145.04974	2.5
149.13249	3.1
151.14818	6.8
153.12746	9.0
157.12198	1.7
161.97035	1.2
163.03923	1.4
169.15898	10.6
171.13763	4.3
177.16397	35.9
178.16685	1.9
184.07352	11.4
195.17456	20.5
201.69284	1.2
203.05267	1.3
211.16763	1.3
213.18506	100.0
214.18858	1.8
224.94969	1.5
231.19560	93.3
232.19835	1.8
237.02722	2.0
249.07687	1.5
249.20636	37.7
250.21136	1.7
341.16437	1.2
341.46753	1.3
368.70010	1.2
411.11810	3.1
411.20230	30.7
411.25519	2.0
412.20099	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	411.2531
Annotation	Dehydrorobustol B
Peak:m/z	Relative Intensity
55.01873	1.7
55.05520	3.1
63.98323	0.6
67.05513	5.1
68.99788	4.8
69.07067	1.5
71.33961	1.1
71.34332	1.0
74.10727	0.6
79.05486	3.1
81.07070	7.9
83.04953	0.8
83.08609	1.5
85.02859	0.6
91.05476	3.1
93.07028	3.0
95.04959	2.1
95.08604	5.0
97.10136	1.0
105.07022	2.0
107.04967	3.5
107.08601	1.9
109.06494	1.1
109.10171	0.8
111.04485	0.7
111.08071	2.3
117.07045	1.2
119.08539	1.3
121.06510	4.3
121.10125	1.3
123.04435	34.6
131.08586	0.9
133.10100	1.0
135.08066	7.7
137.05983	5.3
145.10039	0.7
148.05191	1.0
149.05994	38.7
151.07587	0.7
162.64151	0.7
163.07552	100.0
164.07881	1.7
165.12730	1.2
177.09096	3.7
205.12222	0.7
269.17343	1.0
275.20001	1.0
277.21661	4.3
283.71176	0.7
301.21655	0.6
389.21210	0.7
411.25302	21.8
412.25635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
57.07076	99.9
59.04999	18.4
67.05508	3.9
67.91158	1.7
69.07053	2.2
69.84444	10.2
70.82839	2.0
71.08633	100.0
74.26957	1.5
77.44708	1.6
78.68171	1.7
79.05484	2.3
81.07037	3.4
83.08630	2.2
85.10184	96.6
89.06033	50.6
95.08565	1.9
97.10188	1.9
98.20816	2.5
99.11725	11.7
103.07575	4.2
107.07119	4.4
130.08675	2.7
133.08595	19.9
135.52307	1.7
141.16383	12.1
152.21303	1.7
158.48607	1.8
177.11234	30.5
195.12280	30.8
198.99945	1.9
199.20567	18.6
235.15419	4.2
239.14909	7.7
243.23184	3.7
253.16548	5.6
393.32144	23.3
410.80569	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58286	0.7
53.03960	0.7
57.03444	0.9
58.22575	0.8
67.05510	1.5
69.03432	2.9
69.07056	0.9
70.06607	5.4
71.04998	1.8
71.59931	1.1
72.08155	2.3
73.48632	0.7
79.05492	1.0
81.03427	2.3
81.07091	1.4
84.08173	0.7
85.02908	6.1
86.09692	1.6
87.04481	1.5
91.05475	2.9
93.07058	0.9
95.04971	1.8
95.08613	1.2
97.02905	3.6
98.97601	1.4
105.07024	2.3
107.04990	1.6
107.08587	1.3
109.02873	1.5
109.10185	1.4
110.07207	1.6
111.04436	1.0
112.07597	1.8
115.03912	1.0
116.98611	0.9
119.08583	1.2
121.02840	1.0
129.05446	0.8
131.04904	1.2
131.08586	1.0
133.10172	1.5
134.99628	1.8
137.05945	2.6
138.73378	0.7
139.03909	1.4
140.07091	1.4
140.38969	0.8
145.04974	0.9
145.10114	0.9
147.04424	1.6
158.99666	1.1
162.02911	1.0
163.03912	1.9
177.00723	1.0
185.57057	0.9
207.02982	1.0
213.16415	2.0
223.04416	1.0
225.03911	1.4
227.04025	0.9
231.17444	2.0
234.80499	0.7
237.02892	1.5
239.03995	1.0
241.05704	1.4
249.03781	8.7
249.18553	2.0
267.03424	1.5
271.08023	1.0
285.04617	1.0
291.04956	1.2
311.06488	1.0
322.13959	0.9
327.08737	2.4
393.06781	1.2
411.08572	22.1
411.12656	100.0
412.08337	2.2
412.13049	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05508	0.4
66.68769	0.2
67.05475	0.2
69.03426	0.2
70.06592	0.3
70.86761	0.6
78.89192	0.2
81.07040	0.3
83.04995	1.4
83.08601	0.6
93.07003	0.3
97.10221	0.2
107.08581	0.3
109.10187	0.4
120.08049	0.3
125.09689	0.4
128.98631	0.2
137.05972	0.3
151.11188	0.7
155.47737	0.2
167.14342	1.9
203.05281	0.9
209.15396	1.6
217.11086	0.2
231.13527	1.2
249.11235	0.4
249.14648	1.9
265.06082	0.3
411.19894	100.0
412.20273	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	411.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38699	0.3
53.03927	0.3
53.77233	0.2
55.01886	0.3
55.05519	1.5
56.96568	0.7
57.03440	0.4
59.05001	0.4
59.78094	0.3
67.05490	1.5
69.03446	0.7
69.07068	0.6
69.88601	1.1
69.89014	0.7
71.05008	0.7
73.16449	0.3
79.05498	1.0
81.03413	0.8
81.07060	1.4
83.08616	0.4
85.02917	0.9
91.05499	0.7
93.07042	1.1
95.04977	0.3
95.08612	3.6
97.02903	0.7
98.21460	0.3
98.97595	3.6
105.07027	0.6
107.08602	1.0
108.08182	0.3
108.08939	0.4
109.02950	0.4
109.10166	1.7
110.97573	0.3
111.00706	0.3
116.98656	2.3
119.08604	0.9
121.10196	1.1
121.69284	0.2
123.04442	0.3
123.08090	0.4
123.11762	0.3
124.07574	0.5
126.09155	0.4
127.03963	0.5
128.98651	0.5
133.10153	1.0
134.99683	0.8
135.11760	0.5
136.00111	0.3
137.06052	0.5
139.03996	0.3
139.11281	0.3
139.16089	0.2
145.10129	0.3
147.04424	0.4
148.32265	0.3
157.28647	0.3
158.99692	1.4
163.03926	0.8
166.08716	0.6
177.00719	1.7
203.05353	0.6
215.09439	1.0
215.59514	0.5
219.01865	0.6
224.09929	0.7
228.94353	0.3
231.15009	0.5
237.02863	1.4
242.08244	0.9
249.11382	0.3
249.16125	0.5
267.12567	0.4
273.15997	0.9
279.04031	0.5
285.13803	0.7
291.17035	3.5
296.62286	0.6
305.12671	0.5
305.62796	0.3
309.13748	1.4
310.14166	0.3
320.67715	0.7
321.17825	0.4
325.08691	0.3
327.14767	0.4
329.68161	0.8
330.18912	0.8
330.69125	0.3
351.19510	0.3
401.70541	0.6
402.21176	0.5
410.70853	6.7
411.20105	100.0
411.71402	1.0
412.16272	0.4
412.20508	4.2
421.68219	0.3
430.19458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63004	3.5
52.74406	3.7
55.05519	22.5
57.07057	4.2
57.76910	3.9
64.23477	3.8
64.89670	3.9
66.28342	4.2
67.05499	23.2
69.03424	7.4
69.07044	13.5
71.61503	7.4
79.05505	18.9
81.07071	35.1
83.04945	4.6
83.08611	8.9
83.23456	4.0
83.23991	4.4
85.06575	5.9
91.05473	28.7
93.07043	50.2
95.04978	56.8
95.08601	30.6
97.06537	8.2
98.98469	26.0
105.05961	4.2
105.07040	100.0
107.08566	21.1
109.06519	11.7
109.10152	12.3
117.07031	9.3
119.08588	69.6
121.06514	16.9
121.10133	19.2
123.08028	15.5
129.07004	5.4
131.08603	19.1
133.06462	4.6
133.10135	23.0
135.08054	11.2
137.09633	7.4
142.07768	6.7
143.08537	11.7
144.09346	6.1
145.10127	39.2
147.08043	14.1
147.11693	37.9
149.09608	13.0
151.07524	13.7
155.01035	23.2
155.08553	6.0
157.10136	19.7
159.11674	10.8
161.09618	6.2
163.11171	7.6
165.09111	27.1
169.10086	10.8
171.11678	9.0
173.09567	6.0
173.13193	6.5
175.11192	32.8
177.09113	4.5
181.10165	6.1
183.11676	17.2
197.13141	5.1
199.11189	5.9
201.12773	10.9
203.14346	17.1
207.13765	9.7
209.13440	5.0
221.15353	74.3
234.16104	17.4
287.20175	6.9
300.20789	5.4
311.25797	7.6
329.21027	6.2
391.26437	11.3
409.27347	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	409.274
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03946	5.1
55.05514	23.4
57.07070	10.1
59.04987	3.6
67.05502	26.2
69.03429	9.6
69.07068	14.8
69.35901	6.0
69.36308	27.8
71.04997	6.0
71.31161	3.1
75.46230	3.1
75.50131	3.5
79.05495	30.0
81.07059	40.4
83.04974	6.1
83.08628	4.4
83.96584	3.1
85.06573	4.1
91.05487	47.3
93.07054	51.3
95.04975	58.4
95.08611	35.0
97.06531	15.8
103.05431	5.4
105.07037	100.0
107.08607	40.1
109.06530	21.3
109.10176	22.2
111.08096	6.4
115.05455	3.5
117.07031	20.8
119.08587	78.8
121.06518	26.5
121.10150	20.9
123.08102	25.8
125.05936	3.9
127.87213	3.2
128.06235	6.7
129.06989	12.5
130.07747	6.1
131.08574	33.5
133.06512	8.2
133.10121	27.7
135.08092	18.4
135.11731	7.0
137.06033	3.8
137.09598	13.8
142.07822	19.8
143.08554	25.8
145.10117	39.4
146.10916	3.6
147.08072	20.1
147.11697	37.3
149.09624	12.3
151.07542	33.1
153.06982	3.2
153.09169	3.5
154.07690	3.4
155.08583	10.8
156.09302	6.4
157.10168	29.8
158.10907	5.0
159.08049	13.2
159.11670	19.2
161.09628	7.0
163.11206	7.4
165.09114	34.9
168.09396	8.2
169.10129	18.0
170.10825	5.2
171.11688	17.0
173.09668	7.0
173.13271	12.6
174.10425	4.5
175.11215	24.4
177.09149	3.6
181.10181	6.2
181.12285	7.8
183.11661	15.3
185.13281	5.7
187.11273	7.0
187.14822	4.7
189.12756	8.3
191.14294	4.7
195.11679	4.2
199.11130	5.4
201.12741	9.6
203.14372	15.0
207.11913	4.4
207.13855	11.3
209.13255	3.9
209.15324	6.9
211.14836	9.5
219.13684	5.6
221.13405	4.7
221.15369	79.1
223.14917	3.8
225.16440	5.0
229.15825	9.3
234.16185	12.9
239.14330	3.5
251.17940	3.9
286.19397	5.7
287.20102	7.7
296.55807	3.4
300.20883	3.6
329.21213	5.2
391.26111	9.2
409.27298	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43708	2.1
53.03938	5.4
55.01880	3.2
55.05507	12.9
57.03430	3.0
57.07055	6.6
57.90208	2.9
59.05013	2.9
65.03940	2.4
65.74280	2.0
67.05227	2.3
67.05506	29.1
69.03408	8.3
69.07061	9.3
70.77572	6.6
71.04983	2.6
76.62766	2.2
79.05499	24.4
81.03388	3.6
81.07066	39.3
83.04972	5.4
83.08615	5.0
85.06528	5.2
91.05490	34.0
93.06475	2.9
93.07051	51.6
95.04977	53.4
95.08610	34.6
97.06532	14.1
98.21540	2.1
103.05438	4.4
105.04582	3.1
105.07034	100.0
105.28745	2.2
107.04903	2.9
107.08594	27.8
109.06519	17.4
109.10170	17.5
115.05461	5.5
117.06997	11.9
119.08588	74.9
121.06537	19.2
121.10165	22.1
123.08067	18.1
123.11665	2.6
127.43372	2.3
128.06200	6.2
129.06987	8.7
130.07755	3.4
131.08565	28.6
133.06491	3.9
133.10144	24.6
135.08083	15.4
135.11650	3.8
137.09596	9.0
141.06969	4.0
142.07793	14.7
143.08577	23.2
144.09312	5.0
145.10129	43.5
146.10812	2.3
147.08058	16.4
147.11693	35.8
149.09619	13.1
151.07545	25.9
153.09157	3.1
154.07666	2.9
155.08563	10.1
156.09354	7.0
157.10132	29.5
159.08040	7.5
159.11732	23.5
161.09595	11.1
161.13254	4.4
163.11179	8.0
165.09134	32.8
167.08557	5.1
168.09331	5.5
169.10139	18.9
170.10866	6.6
171.11710	13.6
173.09605	7.1
173.13277	9.1
175.11195	31.2
177.09093	6.0
179.08545	3.4
179.10913	2.3
181.10110	9.7
181.12341	5.6
183.11725	14.4
185.09616	3.2
185.13290	8.2
187.11195	6.1
187.14850	4.4
189.12762	8.2
191.14224	4.9
193.10049	4.3
195.11707	5.3
197.13255	9.4
199.11221	2.9
201.12726	9.0
201.16406	2.1
203.14360	18.1
207.13885	12.5
209.13345	4.5
209.15353	6.0
211.14827	7.4
213.12794	6.4
215.14323	3.4
221.13417	4.4
221.15366	78.2
222.15681	3.4
225.16426	4.4
229.15826	8.6
234.16142	14.4
253.15863	3.4
256.68576	2.4
286.19366	4.8
287.20044	9.2
300.20807	5.5
329.21106	7.6
391.26303	10.4
409.27307	85.1
410.27563	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	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18510	0.8
53.03906	1.0
53.54667	0.8
55.05489	2.9
56.96560	3.1
59.33056	0.8
62.38695	0.9
67.05507	6.5
69.07079	2.0
71.61026	1.2
79.05486	3.1
81.03391	1.1
81.07047	3.5
83.08602	1.1
85.02909	1.7
91.05473	3.8
93.07036	3.2
95.08612	3.9
105.07053	1.4
107.08575	1.9
109.10162	2.7
119.08579	2.1
121.10146	1.7
123.04426	1.5
135.11647	1.4
137.09651	1.2
143.73134	1.1
149.06049	1.1
163.07579	1.2
169.85849	0.9
174.45111	0.9
229.07391	1.0
275.20081	4.7
309.16513	1.4
331.15979	1.3
339.74515	0.9
349.16785	5.4
367.18094	3.3
389.71939	1.1
409.25641	100.0
410.25754	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.3
55.72326	0.2
56.96556	0.3
59.76102	0.2
67.05491	0.6
69.86459	1.7
81.07059	0.9
91.05491	0.4
93.07022	0.5
95.07504	0.2
95.08599	0.6
98.21499	0.4
108.74282	0.3
109.10150	0.5
116.11063	0.2
119.08670	0.3
128.02338	0.3
135.04419	0.4
163.03903	1.7
243.14526	0.4
275.20102	0.3
331.23294	0.3
335.21512	0.3
349.17398	0.3
353.21762	0.8
367.18011	0.4
409.25616	100.0
410.25949	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01873	3.6
55.05515	8.6
56.96575	0.6
57.03448	1.5
57.07049	0.7
65.03947	1.2
67.05506	18.1
69.03429	1.6
69.07066	8.7
69.87103	2.7
71.01366	0.7
71.04992	1.8
79.05058	1.4
79.05495	20.9
81.03428	2.6
81.07059	51.2
82.07403	1.2
83.04980	2.6
83.08615	8.0
85.02892	0.8
85.06556	1.3
91.04900	0.7
91.05484	15.1
93.07054	13.3
95.04975	6.4
95.08607	10.9
96.08924	0.7
97.06538	4.1
97.10175	1.2
98.09541	0.6
98.20826	0.7
99.00842	1.3
99.08100	2.7
105.07035	14.5
107.04958	7.7
107.08598	9.2
109.06516	16.1
109.10149	4.8
111.04482	0.8
111.08096	2.7
117.07022	5.3
119.08581	13.1
121.06516	3.5
121.10146	5.3
123.08060	4.2
123.11735	1.6
125.09648	1.5
129.07060	1.8
130.07915	0.6
131.04967	0.7
131.08592	8.5
133.06491	1.7
133.10138	10.6
135.08112	3.1
135.11728	3.5
137.09633	2.6
139.85670	0.6
143.08604	1.6
145.06535	0.9
145.10117	6.3
147.08070	0.9
147.11703	10.9
149.09631	7.0
149.13258	3.3
151.11235	2.3
155.08522	1.3
157.10104	3.6
159.11731	5.3
161.09627	1.1
161.13307	2.0
163.11201	5.5
163.14816	1.1
165.12747	4.2
169.10204	0.8
171.11722	1.5
173.09666	1.1
173.13309	2.4
175.11131	3.5
175.14909	1.0
177.12825	2.4
179.14378	0.9
183.11772	1.3
185.13307	0.9
187.11258	1.0
187.14890	0.8
189.12822	0.8
193.12173	3.5
197.13268	0.8
201.12782	1.0
205.15932	0.7
207.13899	0.7
219.13901	0.7
229.19666	1.5
229.96330	0.7
239.17996	2.1
243.53505	0.7
247.20616	2.5
257.19012	5.4
275.20074	42.7
276.20279	3.2
293.21164	6.9
349.16852	0.9
391.21243	2.0
409.25763	100.0
410.26227	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
55.01873	3.6
55.05515	8.6
56.96575	0.6
57.03448	1.5
57.07049	0.7
65.03947	1.2
67.05506	18.1
69.03429	1.6
69.07066	8.7
69.87103	2.7
71.01366	0.7
71.04992	1.8
79.05058	1.4
79.05495	20.9
81.03428	2.6
81.07059	51.2
82.07403	1.2
83.04980	2.6
83.08615	8.0
85.02892	0.8
85.06556	1.3
91.04900	0.7
91.05484	15.1
93.07054	13.3
95.04975	6.4
95.08607	10.9
96.08924	0.7
97.06538	4.1
97.10175	1.2
98.09541	0.6
98.20826	0.7
99.00842	1.3
99.08100	2.7
105.07035	14.5
107.04958	7.7
107.08598	9.2
109.06516	16.1
109.10149	4.8
111.04482	0.8
111.08096	2.7
117.07022	5.3
119.08581	13.1
121.06516	3.5
121.10146	5.3
123.08060	4.2
123.11735	1.6
125.09648	1.5
129.07060	1.8
130.07915	0.6
131.04967	0.7
131.08592	8.5
133.06491	1.7
133.10138	10.6
135.08112	3.1
135.11728	3.5
137.09633	2.6
139.85670	0.6
143.08604	1.6
145.06535	0.9
145.10117	6.3
147.08070	0.9
147.11703	10.9
149.09631	7.0
149.13258	3.3
151.11235	2.3
155.08522	1.3
157.10104	3.6
159.11731	5.3
161.09627	1.1
161.13307	2.0
163.11201	5.5
163.14816	1.1
165.12747	4.2
169.10204	0.8
171.11722	1.5
173.09666	1.1
173.13309	2.4
175.11131	3.5
175.14909	1.0
177.12825	2.4
179.14378	0.9
183.11772	1.3
185.13307	0.9
187.11258	1.0
187.14890	0.8
189.12822	0.8
193.12173	3.5
197.13268	0.8
201.12782	1.0
205.15932	0.7
207.13899	0.7
219.13901	0.7
229.19666	1.5
229.96330	0.7
239.17996	2.1
243.53505	0.7
247.20616	2.5
257.19012	5.4
275.20074	42.7
276.20279	3.2
293.21164	6.9
349.16852	0.9
391.21243	2.0
409.25763	100.0
410.26227	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	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	0.5
57.52295	0.4
69.03426	0.5
70.06587	1.0
70.55892	0.6
70.56232	0.9
73.82317	0.4
74.94129	0.5
81.03419	0.7
81.07056	0.8
85.02921	1.1
91.05479	0.8
91.28211	0.4
93.07080	0.6
95.04986	0.6
95.08633	0.6
97.02872	0.8
98.97594	1.4
103.68034	0.4
105.06987	0.7
109.10145	0.5
116.94444	0.4
116.98622	1.6
119.08607	0.6
121.10194	0.5
128.98662	0.6
133.10112	0.5
134.99690	0.5
135.11703	1.0
146.28337	0.5
153.05600	0.5
167.07092	0.6
177.00737	0.5
177.05431	0.8
211.16965	1.2
212.17207	2.2
224.08089	0.5
229.12134	0.8
247.13156	2.7
257.04382	0.7
307.12274	0.7
365.56506	0.5
382.78348	0.5
409.18420	100.0
410.18936	2.6
427.16092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16507	0.4
55.01871	0.8
55.05509	1.5
57.03449	0.6
67.05505	1.5
69.03437	4.6
69.07072	1.1
69.89971	0.5
70.06588	1.3
71.05002	2.4
71.59882	0.8
73.76903	0.5
74.43752	0.5
79.05491	1.4
81.03414	0.7
81.07060	2.2
83.04966	1.0
83.08648	0.7
85.02917	2.9
85.06548	0.7
86.09701	1.3
87.04492	0.7
91.05492	0.6
93.07034	1.1
95.04971	0.9
95.08612	1.3
97.02894	0.9
97.06550	0.5
98.97588	0.9
100.86972	0.5
105.07052	1.4
107.08575	1.4
107.42381	0.4
109.02912	0.9
109.06465	0.5
109.10192	1.2
111.04463	0.5
113.06033	0.6
116.98658	1.1
119.08566	1.0
121.06550	0.5
121.10157	0.9
123.08155	0.5
125.09637	12.8
127.03922	0.7
129.56587	0.5
131.08560	0.5
132.04446	1.0
135.11716	1.1
137.05981	0.6
137.09573	0.7
147.04352	0.7
151.07533	0.9
153.05557	0.5
161.13306	0.6
162.05511	0.6
169.05080	0.5
175.14691	0.5
177.00560	0.6
181.05153	0.5
184.07364	1.5
193.15945	0.8
203.05281	20.2
211.16925	7.4
214.08569	0.5
229.12015	1.1
229.18048	1.8
247.09912	0.5
247.13307	0.7
247.19159	1.5
327.07632	0.5
409.18372	100.0
410.18881	1.9
427.16144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27010	0.7
54.12999	0.7
55.01853	1.0
55.05504	3.6
57.03447	1.6
57.07057	0.8
59.04990	1.3
61.02921	1.4
62.31707	0.8
67.05511	4.4
69.03428	3.3
69.07069	10.2
70.06595	2.4
70.90169	2.1
71.04993	6.2
72.08145	1.1
79.05496	2.7
81.03420	1.2
81.07067	8.7
83.08634	4.6
85.02916	8.6
85.06532	2.2
91.05490	8.0
92.05800	0.9
93.07048	9.4
95.04959	1.9
95.08614	14.7
97.02898	3.3
97.06526	7.1
97.10168	1.1
99.04452	2.6
99.08091	1.7
105.07039	6.3
107.04961	1.0
107.08615	13.7
109.02882	1.5
109.06544	5.3
109.10166	19.1
111.08082	1.3
111.11722	1.6
115.07597	5.0
119.08582	12.8
121.10150	7.4
123.08097	3.8
123.11712	12.2
125.09641	3.0
127.03932	1.8
127.07626	1.2
127.11192	2.8
131.08583	0.9
133.10141	27.1
135.11705	23.2
137.05994	1.3
137.09636	4.8
141.09135	1.4
141.12675	1.2
145.04910	0.9
145.10168	1.5
147.11711	3.4
149.13274	9.3
151.11195	0.9
153.12720	3.4
155.10600	1.5
165.16391	1.7
175.14838	39.5
176.15192	1.9
177.16385	3.6
193.15892	43.3
194.16275	1.1
211.16948	100.0
212.17291	4.1
229.14420	4.3
409.14438	1.2
417.35632	0.8
432.14841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.6
57.03439	3.0
57.07090	1.8
61.02914	2.3
63.76190	1.3
67.05507	10.0
69.03439	7.9
69.07070	10.6
70.06571	2.5
70.79597	2.6
70.79937	1.8
71.04977	3.0
71.08605	1.4
73.02896	1.3
79.05489	3.0
81.03415	3.2
81.07058	12.9
83.04977	3.4
83.08601	4.2
85.02909	28.9
85.06538	2.9
86.09679	1.5
91.05476	3.6
91.97095	1.3
93.01437	1.2
93.07036	8.6
94.62712	1.4
95.04966	3.3
95.08607	21.7
96.12472	1.4
97.02886	5.1
97.06527	1.8
97.10176	2.0
98.97578	4.8
99.04469	1.9
104.20715	1.5
105.07040	8.2
107.08589	21.4
109.02873	4.4
109.06539	6.5
109.10165	55.5
109.10926	2.6
111.08088	2.7
113.90260	1.2
119.08587	28.5
121.10153	39.7
123.08070	7.0
123.11713	13.4
125.09624	5.9
127.03910	5.1
133.10143	25.8
134.10419	1.6
135.11697	31.5
137.05998	1.6
137.09630	15.5
137.13237	6.1
139.11134	4.3
144.42314	1.3
145.04955	3.6
145.10146	1.3
147.11705	6.3
149.13268	23.8
151.11162	3.0
151.14824	4.9
155.10660	2.7
163.06010	2.2
165.16383	6.5
167.14372	1.4
175.14836	60.9
176.15149	2.4
177.00638	1.5
193.15889	100.0
194.16237	4.8
211.13255	2.2
211.16876	8.8
229.14326	1.6
268.42462	1.2
283.11917	1.4
409.13882	1.4
409.18518	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	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72519	1.6
55.01870	2.6
55.05508	5.0
57.03435	1.8
61.02906	2.2
67.05504	5.1
69.03440	3.3
69.07068	9.7
69.83804	7.1
69.84213	3.2
70.06599	3.7
71.04995	5.5
72.08139	2.6
73.13973	1.7
79.05497	3.2
81.03423	3.5
81.07045	10.9
83.08608	5.0
84.74980	1.7
85.02898	8.9
85.06520	3.1
87.04472	2.4
91.03956	2.0
91.05469	5.3
93.07057	10.3
95.08610	22.5
97.02908	2.7
97.06544	13.0
99.04451	5.8
105.07041	4.2
107.08609	12.2
109.06530	9.2
109.10149	17.0
111.08088	3.2
114.10310	2.7
115.07565	4.9
119.08585	15.1
121.10149	5.0
123.04422	2.0
123.08048	5.1
123.11689	8.6
127.03928	2.4
127.11213	3.3
133.10135	31.7
134.10493	2.7
135.11690	28.2
137.09628	6.0
147.11725	3.2
147.31000	1.9
149.13286	9.4
153.12811	3.0
167.07042	3.6
169.07529	2.5
175.14824	55.2
177.16432	3.2
193.15881	63.1
194.16171	2.7
203.05170	2.2
211.16931	100.0
212.17265	2.6
245.59641	1.6
409.13916	2.3
409.18524	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	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
57.03441	2.0
61.02913	2.4
67.05488	6.4
69.03432	4.5
69.07070	9.1
70.42774	4.3
70.43166	2.5
71.04985	5.7
79.05488	4.0
81.03432	2.2
81.07062	11.9
83.04948	1.4
83.08609	4.3
85.02906	7.6
85.06533	1.9
91.05463	8.3
93.07038	8.9
95.04936	1.6
95.08611	16.6
97.02885	3.0
97.06542	10.7
97.10169	1.9
99.04461	5.2
99.08066	2.4
105.07023	7.5
107.08585	13.6
109.06496	5.5
109.10162	20.8
111.08067	2.4
111.11713	2.2
115.07560	5.8
115.39086	1.5
119.08598	12.2
119.09376	2.0
121.10168	8.6
123.08051	4.2
123.11701	15.1
125.09608	3.3
127.03911	1.8
127.11205	2.4
131.08537	1.5
133.10138	28.9
135.11702	29.9
137.09592	4.8
147.11679	3.1
149.13249	14.4
153.12712	3.3
165.12747	1.6
175.14830	44.1
176.15152	2.0
177.16371	3.4
193.15889	50.1
193.17662	2.6
194.16188	1.6
211.16937	100.0
212.17255	4.6
229.14349	6.7
360.21228	1.5
433.45358	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	12.3
62.20158	2.8
67.05508	19.3
69.07069	8.2
69.80366	18.0
70.06590	10.2
71.04993	4.6
79.05476	7.3
81.07059	17.2
83.04995	16.4
83.08621	4.1
85.02901	5.3
93.07049	9.6
95.05033	2.5
95.08614	50.8
98.97595	6.9
105.06994	4.5
107.08604	9.5
109.02873	3.4
109.06559	3.7
109.10154	22.5
111.08131	2.9
116.83778	2.7
119.08575	18.0
121.10149	5.2
123.08109	3.1
123.11719	8.1
133.10130	15.1
135.11716	6.6
137.09630	100.0
139.11198	5.1
140.45795	2.8
155.14877	2.6
158.08066	3.8
175.12025	3.6
175.14854	38.5
193.15900	89.8
218.71130	3.3
243.10898	8.8
249.07758	3.1
304.42236	3.7
409.17709	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01880	1.7
55.05510	8.6
56.96579	1.0
57.03431	2.3
57.07068	2.6
57.79628	0.9
59.05000	1.1
61.02930	1.6
67.05510	9.8
69.03426	10.0
69.07072	9.7
70.06589	2.2
71.04990	3.5
71.57461	1.6
73.02930	1.3
79.05498	3.2
81.03405	4.1
81.07061	12.2
83.04974	3.3
83.08639	4.5
84.04500	1.1
84.47015	0.8
85.02908	26.5
85.06545	2.5
86.09710	2.9
87.04504	1.0
91.03960	0.9
91.05489	4.7
93.07043	9.0
95.05006	2.8
95.08607	23.1
95.62771	0.8
97.02895	6.7
97.06530	3.0
97.10143	2.3
98.97588	4.6
99.04454	2.4
99.08109	2.2
105.07030	11.1
107.04965	1.6
107.08601	20.4
109.02886	3.3
109.06538	6.0
109.10160	54.3
110.10466	1.1
111.08095	3.8
116.98647	2.6
119.08578	28.5
121.10146	34.8
122.10501	1.1
123.04441	1.0
123.08066	8.3
123.11715	11.2
125.09622	8.3
127.03957	4.3
130.05011	0.9
131.08611	1.7
133.10139	23.8
133.11087	1.8
135.11693	27.9
136.14880	0.8
137.02298	1.2
137.05933	1.4
137.09613	13.3
137.13243	4.6
139.11194	2.9
145.04951	5.1
145.10114	1.4
147.04384	1.0
147.11696	5.7
149.13260	26.7
151.11201	2.7
151.14806	5.3
155.10690	1.3
158.99719	2.4
163.06062	1.4
165.16425	6.6
167.07091	2.6
167.14331	1.1
168.07446	1.6
173.13257	0.9
175.14825	53.6
176.15230	2.4
177.00735	1.7
193.15883	100.0
194.16270	3.7
211.13318	3.3
211.16946	10.7
213.07803	2.6
219.10426	0.9
222.08363	1.0
229.14267	2.2
229.17995	1.9
237.02826	1.3
261.10995	1.3
322.86185	0.9
379.03784	0.9
408.14624	1.7
408.19495	1.9
409.18427	40.0
429.18369	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.3
57.03434	3.1
57.07066	2.9
67.05507	18.6
67.23524	1.8
67.78275	2.0
69.03428	4.7
69.07058	6.8
69.19475	2.2
70.06590	12.3
70.71983	6.7
71.04960	2.0
72.08144	2.5
79.05502	5.3
81.07053	21.7
83.04991	17.1
83.08611	2.6
84.04490	3.8
85.02910	4.9
85.46173	2.2
86.09701	6.9
91.05483	5.1
93.07043	9.5
95.04941	2.9
95.08612	48.9
97.06548	2.6
99.04430	4.1
103.05467	3.2
105.07039	5.8
107.08591	7.8
109.06493	2.7
109.10160	22.9
116.07057	2.7
118.01263	2.6
119.08606	16.8
121.10146	4.7
123.08067	4.4
123.11713	6.6
125.09615	4.0
131.04866	2.1
133.10172	13.4
135.11678	9.0
137.05986	2.8
137.09618	100.0
138.09991	4.6
139.11179	2.2
140.07095	2.9
140.61269	2.0
145.04964	2.7
147.11742	2.5
149.13277	2.8
158.08185	2.9
165.16342	2.3
175.11833	3.5
175.14842	29.0
193.14194	4.3
193.15886	70.3
194.16203	3.3
217.13057	3.7
243.10858	6.9
246.07799	4.3
261.10934	8.2
331.09274	2.6
409.17712	24.7
425.15555	2.0
427.16644	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	408.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	29.7
59.06372	0.9
65.88628	1.2
66.48283	1.0
67.05506	1.2
71.08597	1.3
71.95259	2.6
79.05505	1.0
79.32806	1.2
81.07045	1.8
91.05488	1.5
96.15816	1.1
98.09769	1.2
116.07114	1.2
128.98602	1.7
129.02226	1.9
129.53491	1.0
133.01765	1.5
147.03294	4.9
148.69580	1.2
155.03728	1.6
159.03304	2.2
165.04282	1.9
169.01863	1.4
171.03288	3.5
173.04884	7.5
185.04813	3.0
187.02779	1.9
189.04343	4.4
191.05968	3.2
197.04848	1.1
199.06421	5.2
201.08029	4.8
203.05872	4.1
209.06857	1.2
211.10005	1.4
213.07959	2.9
215.05769	1.4
217.07527	6.0
219.09105	2.0
223.06406	1.6
227.09581	1.6
229.07529	2.5
231.09091	2.9
237.07954	11.8
239.09583	4.1
241.07462	2.1
243.09079	6.0
245.06810	1.2
247.08405	1.7
251.09523	1.5
253.07594	1.7
253.11261	1.1
255.09067	100.0
256.09412	4.4
257.10559	4.2
261.10150	3.2
267.08917	2.0
269.10538	3.6
269.14194	1.2
273.10120	77.4
274.10452	2.4
278.10648	17.8
283.08405	1.9
285.10138	4.1
287.11761	2.2
296.11777	8.4
331.15668	6.8
339.18320	2.5
349.16895	32.7
350.17279	1.7
367.17950	82.4
368.18179	3.3
372.18466	5.0
385.18954	57.2
385.22769	3.1
386.19299	3.1
390.19583	7.9
403.19916	3.1
408.20514	17.4
408.25034	0.9
409.20917	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
68.26362	0.5
69.03419	0.7
69.99085	1.5
69.99496	1.2
70.06593	0.9
72.08147	0.6
81.03420	1.2
84.08121	0.5
85.02914	4.1
91.05473	0.8
93.07040	0.7
95.04973	1.1
97.02931	0.8
98.97580	0.7
104.21996	0.5
107.04921	0.8
109.02857	0.7
116.00037	0.5
121.06470	1.1
123.04463	2.3
124.05207	0.8
127.03908	0.8
130.09659	0.5
132.04436	0.9
137.05997	1.1
149.05980	1.7
151.03911	0.7
152.04724	0.9
161.06020	0.7
161.67581	0.5
166.06339	0.5
167.07054	100.0
168.07408	2.4
179.07057	0.6
181.08600	3.3
186.19810	0.5
193.08644	3.9
210.15735	0.7
211.09671	19.0
229.10747	15.7
233.90706	0.5
408.19095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37515	0.3
54.27866	0.3
55.01867	0.4
56.77937	0.3
57.03418	0.4
60.05648	0.4
61.02920	0.4
69.03428	1.1
69.07047	0.4
70.06580	1.3
71.00012	1.0
71.04973	0.4
78.04713	0.5
79.05495	0.5
81.03412	0.9
81.07058	0.5
84.04487	0.5
85.02909	4.1
91.05489	0.8
93.07054	1.3
95.04968	0.7
95.08642	0.3
97.02901	1.2
98.97591	0.4
103.05441	0.4
105.06998	0.4
106.04172	0.5
107.04949	0.8
109.02854	0.3
116.07092	0.8
120.08133	0.6
121.06508	1.3
121.10173	0.4
123.04420	3.3
124.05202	0.9
127.03899	0.9
132.04446	0.6
133.05449	0.3
133.06487	0.7
134.03668	0.4
137.05959	0.4
145.04964	0.4
149.06007	2.1
151.03882	0.4
151.07559	0.6
152.04686	0.7
158.08090	0.4
158.09256	0.4
166.06244	0.5
167.07051	100.0
168.07437	1.9
175.11882	1.0
175.14934	0.4
179.07069	0.7
180.63219	0.4
181.08574	2.3
184.30595	0.3
193.08604	4.0
211.09671	18.1
229.10747	14.6
237.02765	0.5
243.10934	0.8
261.10962	0.4
393.04745	0.4
408.18820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88173	0.4
51.92548	0.5
56.96557	1.3
68.91990	0.4
69.71732	1.7
69.72147	1.3
80.26273	0.4
97.02906	2.4
98.97578	1.7
113.03493	0.6
116.98609	2.7
119.01129	0.8
119.01910	7.0
120.02016	0.6
134.99629	2.5
137.02948	3.3
142.03506	0.8
153.00757	1.1
158.99878	1.0
177.00941	15.2
178.01077	2.7
179.00716	1.6
201.00981	0.9
212.95924	0.5
217.04121	2.8
219.02011	25.4
220.02187	2.7
220.03957	0.5
221.01645	2.4
222.02048	0.7
224.88110	0.5
225.00833	2.7
235.00105	1.0
236.99596	0.5
242.03596	1.4
243.01985	5.8
245.01926	0.8
256.96640	0.5
258.96774	0.4
258.99777	2.4
260.00064	0.6
261.03061	100.0
262.03217	11.5
263.02832	8.4
264.03046	1.9
277.00925	2.4
278.01099	1.4
279.00772	1.7
281.00571	1.1
283.00012	2.9
284.00061	1.7
284.04666	6.6
284.99835	2.7
285.04758	1.1
286.99524	2.5
301.01022	6.2
302.01114	2.8
302.04163	0.6
303.00845	5.0
304.01129	1.4
305.00739	6.2
319.02197	0.6
323.01636	0.7
326.02682	0.6
342.03601	0.6
344.94901	0.5
346.44485	1.0
354.94009	1.1
355.93823	0.8
356.93558	1.0
361.27924	0.7
367.01965	2.2
372.96271	6.4
373.41833	0.8
373.46155	5.8
373.96133	4.2
374.94366	0.8
381.96826	3.0
382.46548	2.6
382.96381	1.8
384.05127	0.6
384.46936	2.6
384.96356	2.9
385.03207	15.0
386.03314	1.4
396.94736	0.8
397.94736	1.4
398.94543	1.8
399.46466	0.4
400.97556	0.8
401.97824	0.9
402.97433	7.9
403.04178	21.0
403.97336	0.6
404.04324	1.9
405.48730	0.6
408.04788	1.8
426.05865	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43784	0.8
55.05510	1.3
56.96577	3.5
57.03431	1.9
61.02916	2.6
67.05505	3.0
69.03435	1.8
69.07070	1.7
69.96401	3.0
70.06581	1.3
72.08142	0.8
73.02924	1.5
79.05493	2.2
81.03413	1.5
81.07063	3.9
83.08600	1.5
85.02895	2.3
88.63374	0.6
91.03970	1.5
91.05484	1.4
93.07040	2.1
95.04968	1.0
95.08632	1.4
97.02884	2.2
99.04451	0.8
105.07014	1.7
107.08607	1.6
108.52414	0.7
109.02863	1.1
109.06537	1.0
109.10120	0.9
119.08590	1.8
121.10149	1.0
131.08527	1.0
133.10184	0.9
135.08000	0.9
147.11630	0.7
235.13022	1.0
241.11189	0.8
243.09181	1.0
243.14314	0.9
267.09033	1.6
267.16150	0.8
269.10587	1.0
284.12479	0.8
285.10223	2.0
308.11682	0.9
335.16495	0.9
349.16949	2.3
351.20099	1.6
352.19382	0.7
367.17957	4.8
390.19598	1.0
398.19626	1.4
407.24063	100.0
408.24338	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
56.05041	1.9
56.96562	6.8
57.03434	3.1
57.07069	5.2
60.98466	1.9
61.02917	3.5
67.05502	4.9
69.03432	2.1
69.07070	3.8
71.05009	2.6
71.08633	2.1
73.75683	1.9
79.05479	4.8
81.03434	4.0
81.07040	5.4
83.08624	2.4
85.02905	1.9
91.04001	2.0
91.05476	3.2
93.07049	4.6
95.04962	4.1
95.08615	3.3
97.02889	2.0
100.65611	1.7
107.08613	3.4
109.10173	2.4
116.98631	1.8
119.08622	2.6
121.10183	1.7
133.10165	2.1
189.00563	2.9
255.08894	1.9
259.08575	3.0
285.10217	2.5
301.29224	2.7
302.18872	2.9
348.13409	3.7
349.16901	2.9
366.14227	2.3
367.14160	5.2
376.25974	27.4
407.24054	100.0
407.35522	10.2
408.24414	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05494	1.8
56.05024	1.3
56.96556	1.2
57.03440	2.6
57.07072	1.7
58.99584	2.4
59.04996	1.2
60.76536	1.2
61.02931	1.3
67.05503	3.3
69.03436	4.4
69.07061	4.3
70.06604	1.7
71.04986	3.2
71.59528	1.9
76.02228	4.3
79.05484	1.9
81.03404	2.2
81.07069	14.2
84.04509	7.5
85.02912	13.3
85.06541	4.6
86.00671	1.6
91.05489	4.5
93.07030	5.0
95.04965	1.1
95.08596	6.5
97.02903	4.9
97.06545	2.6
98.09682	2.9
98.97527	1.1
99.04468	1.1
99.08092	2.1
105.07043	8.1
107.04950	1.6
107.08591	15.4
109.02884	1.5
109.06491	1.9
109.10156	4.3
111.08083	1.6
113.04256	2.1
116.01677	5.0
117.07062	1.2
119.05055	1.2
119.08604	3.4
121.06484	1.6
121.10152	18.8
123.08116	1.6
123.11712	27.8
123.12579	1.9
125.09672	1.2
127.03915	2.5
130.04974	2.8
130.06787	1.4
131.08578	7.6
133.10136	59.2
135.08078	3.7
135.11685	4.5
137.09656	2.1
140.93576	1.1
144.01109	1.8
145.04955	2.2
145.10124	4.1
146.07216	1.3
147.04411	3.4
147.08102	2.6
147.11732	2.3
149.05997	1.4
149.09604	3.0
149.13252	6.1
151.07553	3.1
151.11157	5.8
153.05502	1.9
154.06699	1.2
156.08443	4.7
156.10207	3.5
157.06830	2.8
158.10909	2.2
161.13313	1.6
162.02197	7.2
162.06735	3.0
163.07596	3.4
163.14841	15.3
165.05560	1.5
166.06291	3.9
167.07069	5.0
168.07826	6.8
169.12263	22.3
173.13272	33.1
174.09503	2.8
177.09142	3.3
178.09895	11.0
179.04889	1.1
179.07077	5.4
179.14294	4.1
181.05103	1.3
181.08595	17.5
187.07494	1.1
191.14314	44.1
193.08585	1.6
194.09399	15.9
209.11745	100.0
209.15315	34.5
210.11974	2.2
216.06792	1.8
227.16429	67.0
244.09697	1.3
244.56461	1.3
259.11142	30.3
269.08020	1.5
285.12769	1.6
290.67389	1.1
361.04095	1.8
379.04776	1.3
406.16739	3.7
406.69327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60234	1.3
53.03961	3.6
54.32841	1.3
55.01866	3.4
55.05517	12.5
56.05035	5.5
56.96569	6.6
57.03440	4.9
58.53947	1.3
58.99588	12.1
59.04995	2.2
61.02913	2.5
65.03935	1.7
67.05504	11.5
68.05039	2.0
69.03433	9.1
69.07076	5.4
70.06596	10.4
70.73427	4.1
71.05000	5.0
73.01115	1.6
73.02919	2.1
74.00674	1.8
76.02230	17.2
76.03992	1.5
77.94636	1.4
79.05485	14.6
80.05027	1.4
81.03422	9.5
81.07060	27.0
83.04988	13.0
83.06106	1.6
83.08621	7.7
84.04514	24.6
84.08121	1.8
85.01157	2.2
85.02908	20.9
85.06551	3.8
86.00692	3.0
86.09698	2.2
86.99077	3.0
87.02709	5.2
87.04479	1.6
88.02243	1.9
91.05486	13.7
93.07059	12.0
94.06567	2.1
95.04960	6.5
95.08610	18.9
97.02893	9.6
97.06515	7.0
98.09695	10.5
98.97589	35.6
99.04484	4.4
99.05568	2.3
99.08103	4.9
102.05554	4.0
103.05468	3.1
105.00092	1.8
105.07043	31.1
106.07351	2.8
107.05024	2.5
107.08598	15.6
108.04503	3.4
109.02882	22.8
109.06528	19.9
109.10157	13.6
110.09730	1.9
110.97613	1.9
111.08088	4.3
111.11753	1.5
112.03947	3.8
112.07623	5.5
112.08754	1.6
113.04258	6.0
116.01683	21.7
116.98621	27.3
117.06996	2.3
118.02935	1.7
119.04962	1.6
119.08584	32.2
120.08978	1.7
121.06520	2.9
121.10155	16.0
122.02429	1.9
122.09690	2.4
123.08067	11.4
123.11723	5.5
125.09636	2.8
127.03908	7.6
128.98582	3.3
130.05006	5.7
130.06877	2.6
131.04939	1.7
131.08594	6.3
133.06522	2.9
133.10143	19.5
134.99669	11.0
135.08066	2.7
135.11728	4.6
136.03923	4.0
137.02336	23.9
137.06012	5.3
137.09589	2.1
137.13295	1.7
138.05565	2.0
139.07523	4.0
139.11261	1.6
140.00220	1.7
140.07137	3.3
142.03186	1.8
143.00204	2.9
144.01157	8.0
145.05011	3.4
145.10124	7.8
146.02422	5.7
146.99684	2.7
147.11702	42.9
148.12039	3.8
149.02788	2.0
149.05928	1.8
149.09576	3.7
149.13261	4.6
150.05481	17.9
151.03944	7.8
151.07564	5.0
151.11180	8.2
153.09102	5.1
155.07222	1.7
156.08400	17.3
156.10251	11.0
157.06851	9.4
158.11005	1.6
158.99669	12.9
161.01294	3.1
161.05980	3.5
161.13249	2.2
162.02213	20.2
163.11208	7.2
163.13568	1.6
163.14850	2.3
164.03401	3.1
165.12712	3.1
167.07045	42.5
167.08424	3.2
167.10741	2.5
167.14273	10.2
169.04967	35.4
169.06349	2.5
173.13251	12.7
174.09445	11.3
175.14833	4.6
177.00703	17.0
177.05518	2.6
178.05006	3.3
179.04837	8.9
181.08614	2.9
187.06013	5.0
189.00725	1.7
189.12749	11.8
191.07072	1.7
191.14313	9.8
196.06094	3.5
198.65358	1.8
200.02440	1.6
201.00658	1.8
201.07599	40.6
201.09331	2.9
203.07043	2.0
203.37093	1.4
205.75713	1.7
207.03220	2.7
207.13808	13.7
208.14212	2.3
209.08124	18.9
209.11908	2.9
209.15395	45.6
210.07619	8.7
210.15657	2.1
213.07806	3.1
216.06941	5.1
219.01785	13.1
222.08421	2.9
223.09187	1.8
227.09192	4.9
227.16393	8.5
228.08702	18.6
231.06627	1.8
237.02820	5.2
237.08089	2.1
239.09245	1.7
244.03709	1.0
244.06081	28.1
245.06441	2.3
259.11130	100.0
260.11453	5.8
263.09586	11.9
281.10773	8.3
285.12802	1.8
297.06729	2.4
302.08453	3.6
303.11063	5.1
305.10590	19.4
306.10803	2.7
307.13962	2.1
313.12228	4.2
316.14435	3.6
317.01245	3.1
323.11697	11.1
324.11987	2.5
325.64703	1.8
331.13300	6.5
341.12955	2.9
346.13492	1.4
353.12460	3.8
365.12567	9.5
406.11118	3.6
406.16827	9.2
406.67770	3.0
407.13089	15.1
407.17719	4.0
423.09903	7.1
425.09750	2.0
425.14902	23.2
426.15390	4.8
427.16153	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01881	0.4
55.05513	10.6
56.54109	0.4
57.03440	1.1
57.07066	0.5
57.65363	0.4
59.05002	0.7
61.02914	0.9
61.45382	0.5
67.05511	1.8
69.03429	1.8
69.07059	1.1
69.65413	2.7
71.04987	3.0
76.02222	0.6
79.05508	1.1
81.03415	0.6
81.07069	2.8
83.04990	8.3
83.08618	9.8
84.04522	0.7
85.02903	5.2
85.06542	1.1
87.04427	0.4
87.79239	0.4
91.05492	1.9
93.07039	2.8
95.04972	58.3
95.08601	1.3
96.05286	0.7
97.02888	1.7
97.06526	1.8
97.10165	1.9
98.09666	0.4
98.21499	0.4
99.04459	14.4
99.08105	0.7
105.07030	1.9
107.04963	0.5
107.08591	3.4
109.06528	1.8
109.10161	5.5
111.08091	2.7
113.09643	0.5
115.07605	0.4
116.01682	0.8
119.08570	1.1
121.10154	2.0
123.04446	0.5
123.08075	1.7
123.11707	2.9
125.09645	2.7
127.03943	0.5
131.08586	1.2
133.06497	0.5
133.10132	5.4
135.08022	0.7
137.05980	0.6
139.03871	0.4
145.05011	1.0
145.10182	0.6
145.31917	0.4
147.11690	1.5
149.13234	2.1
151.11185	14.1
151.48038	0.4
152.11594	0.8
153.09109	21.6
154.09468	0.6
156.10170	0.5
163.07495	0.6
165.12775	0.5
167.07074	5.0
167.14326	16.5
168.07417	2.9
173.13281	2.9
184.15254	0.5
191.14288	3.5
193.08638	1.4
193.15923	0.8
194.08974	0.6
209.15373	100.0
210.15732	2.7
218.26323	0.4
227.16437	5.5
259.11057	3.1
266.54144	0.4
355.74319	0.4
371.20694	1.6
406.15875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.9
55.05511	16.4
56.05027	3.9
57.03425	6.6
58.99582	7.8
59.04979	2.1
61.75746	2.0
67.05496	7.8
68.99762	2.3
69.03422	6.7
69.07065	8.2
69.59371	17.8
70.06584	7.3
71.04983	4.6
72.08138	2.8
76.02225	13.6
78.04692	3.2
78.21980	2.5
79.05485	12.1
81.03427	3.4
81.07064	24.5
82.03724	2.2
83.04983	19.1
83.08646	15.4
84.04507	21.4
84.08134	3.1
85.02892	10.8
85.06554	3.3
86.00638	3.7
86.99055	4.9
87.02679	3.9
89.19982	2.0
90.32340	2.3
91.05463	10.1
93.07074	12.4
95.04970	8.1
95.08624	11.7
97.02876	4.7
97.06516	9.4
97.10168	3.9
98.09695	9.1
98.97629	2.1
99.08102	3.5
103.05473	4.7
104.05782	2.8
105.07050	19.4
106.07347	4.7
107.04963	14.7
107.08601	23.8
108.05322	2.6
109.02899	3.3
109.06525	8.5
109.10167	13.2
111.08089	4.1
112.03993	2.8
113.04214	3.7
114.10281	2.8
116.01676	14.7
117.07015	2.6
119.08585	6.7
121.06517	5.9
121.10139	14.4
123.04421	7.3
123.08057	6.6
123.11700	5.8
125.06033	3.2
125.09644	6.5
127.03910	4.7
130.05009	6.4
130.06834	3.4
131.04915	6.9
131.08543	4.5
133.06483	9.6
133.10170	14.9
134.06894	3.8
135.04370	3.1
135.08051	6.3
135.11717	8.2
137.05965	7.9
137.09633	3.7
138.06200	4.2
144.01120	7.2
145.06509	2.4
145.10139	4.1
147.04410	2.7
147.08038	2.5
147.11671	6.6
149.09561	2.7
149.13255	8.1
151.03894	4.8
151.07513	6.3
151.11205	22.1
152.04547	3.4
152.07840	3.1
153.05505	15.2
156.08423	14.2
156.10202	5.8
157.06818	7.9
160.59270	2.3
161.05971	6.7
162.02211	17.6
162.06352	3.8
163.07574	10.6
163.11185	3.1
163.14812	7.2
164.07892	9.5
164.11572	3.0
165.09108	4.1
167.07047	87.1
167.14339	20.7
168.07387	52.8
173.13274	14.5
174.09483	10.1
176.07861	3.0
177.05643	2.6
177.09079	2.4
178.09489	2.7
179.04868	7.0
179.07094	3.3
181.04980	3.0
181.08606	6.9
191.14336	20.0
193.08627	22.7
194.09000	14.1
195.06509	10.8
204.07150	2.4
209.11913	5.1
209.15381	100.0
210.15828	3.0
211.09689	18.7
216.06877	6.3
219.01823	3.2
219.10220	5.4
226.18105	6.6
227.09155	8.2
227.12762	7.9
227.16309	7.2
227.33510	2.4
245.08174	3.1
259.11127	82.3
295.42282	2.7
331.13129	5.9
333.12650	2.9
356.15652	4.6
374.10043	3.4
406.16144	5.3
406.27023	3.2
407.16965	4.1
428.34863	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	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90109	0.6
57.03418	1.5
58.99574	0.6
62.94143	0.6
69.03411	1.4
69.07061	1.2
69.41013	0.6
71.04985	0.8
71.57259	0.9
76.02203	1.4
79.05490	1.1
81.03416	0.8
81.07059	3.8
84.04493	2.1
85.02895	4.4
85.06541	2.5
86.99075	0.8
87.02679	0.7
91.05482	1.9
93.07048	1.7
95.05011	0.7
95.08611	2.1
97.02882	1.9
98.01621	0.6
98.09705	1.3
98.97573	0.9
99.08046	0.7
101.51602	0.6
103.05456	0.5
105.07023	2.3
107.04958	1.2
107.08585	4.9
109.06550	0.9
109.10148	1.8
113.06045	0.6
116.01664	2.2
117.06956	0.7
119.04922	0.9
119.08584	1.5
121.06499	2.4
121.10144	8.1
123.04391	0.6
123.08040	1.0
123.11711	9.7
125.09621	0.7
127.03952	0.8
130.04996	0.8
131.08578	2.6
133.10132	20.2
135.08055	1.7
135.11708	0.6
137.05975	1.1
137.09647	0.7
138.06769	0.8
144.01170	0.8
145.04956	0.7
145.10143	0.6
146.07214	1.0
147.04408	2.2
147.08055	1.5
148.04994	0.6
149.05888	0.9
149.09589	1.4
149.13283	2.5
151.07541	2.5
151.11185	2.3
153.05460	1.7
154.06270	0.8
156.08437	1.6
156.10173	0.8
157.06810	0.9
158.10919	0.7
162.02217	2.0
162.06775	2.2
163.07509	4.1
163.14798	5.4
165.05504	2.4
166.06265	4.5
167.07045	2.6
168.07773	6.0
169.12253	6.0
173.13274	11.6
174.09390	1.0
177.09094	2.3
178.09886	11.9
179.07002	5.3
179.10675	0.7
181.08609	15.9
185.98761	0.6
191.14299	13.2
193.08638	0.8
194.09381	14.2
195.09705	0.8
209.11734	100.0
209.15341	10.9
210.11958	0.8
216.06822	0.7
227.16426	23.9
244.09657	1.0
259.11136	9.2
263.10553	0.6
277.19598	0.6
331.13171	1.1
361.04010	1.4
379.04987	1.1
384.05734	0.7
406.16022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84251	1.2
53.03946	1.6
55.05518	6.7
57.03433	2.6
57.07066	3.9
58.99588	2.0
60.62719	1.2
61.65309	1.2
67.05166	1.4
67.05510	14.1
69.03423	6.4
69.07070	12.3
69.08057	1.4
70.28880	1.4
70.29218	5.3
71.04979	1.3
76.02218	2.6
79.05488	6.3
81.03412	2.5
81.07061	14.6
83.05004	5.8
83.08607	5.0
84.04504	2.1
85.02912	13.5
85.06532	1.6
87.04479	6.1
91.05458	6.3
93.07053	13.5
95.04958	2.7
95.08610	26.6
97.02888	4.0
97.06527	3.9
97.10153	2.4
98.09685	1.9
99.04433	1.8
99.08086	1.6
105.07030	7.3
107.07867	2.0
107.08598	46.0
109.06529	7.0
109.10166	60.4
110.10452	1.9
111.08090	4.7
116.01663	2.3
117.07037	1.4
119.08574	7.8
121.06551	2.0
121.10152	56.7
123.08063	9.9
123.11716	17.7
125.05974	2.9
125.09625	14.1
127.03961	1.3
127.07512	1.6
130.04993	1.8
131.08554	8.2
133.10138	14.0
135.08060	9.6
135.11702	38.1
137.09625	34.7
137.13271	40.0
139.11183	2.8
145.05006	2.8
145.10117	2.5
147.11720	12.0
149.09572	2.9
149.13269	27.4
151.11191	11.4
153.09131	2.5
155.10626	4.9
158.10884	2.9
162.02191	2.5
163.11157	1.6
163.14830	64.0
165.09099	1.3
165.12766	23.4
167.14366	9.6
173.13261	20.6
174.09575	1.3
174.54242	1.2
177.93468	1.1
181.15843	4.1
191.14317	100.0
192.14638	3.5
193.08601	2.7
209.15385	83.5
210.15746	2.5
211.09616	3.7
259.11130	11.6
298.59674	1.3
372.80255	1.3
406.45337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01152	1.8
55.05520	4.1
57.03425	2.3
58.99570	1.8
61.02907	2.1
67.05506	3.9
69.03416	3.5
70.06593	3.1
71.05023	1.7
71.59760	2.1
71.60159	3.1
72.73039	1.7
73.02922	3.3
76.02232	2.7
79.05464	2.1
81.03427	4.4
81.07065	5.5
83.05001	2.8
83.08638	3.0
85.02907	12.5
89.06020	3.6
91.05470	2.2
93.07056	1.8
95.04973	17.9
95.08631	3.4
97.02865	3.4
97.06536	4.7
98.09683	2.5
99.04449	4.1
102.28271	1.9
105.07043	5.0
107.08587	4.8
109.10176	3.5
116.01707	2.0
116.17586	1.7
121.10133	2.6
127.03905	4.9
130.04987	2.0
133.08643	2.0
133.10153	5.2
139.07518	16.3
147.11768	2.4
148.03853	2.0
151.11130	4.5
153.09105	4.3
156.08447	2.8
156.10239	2.3
162.02196	3.1
167.07053	100.0
167.14355	4.8
168.07384	4.3
169.49687	2.2
172.00742	1.7
181.08557	9.0
209.08099	27.9
209.13564	1.5
209.15417	26.2
210.97250	1.7
227.09169	52.3
237.02759	2.0
244.09663	4.2
244.16942	1.9
259.11130	8.3
304.20404	2.0
333.36404	2.3
342.84378	2.1
406.05591	2.1
406.15219	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	406.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	53.3
67.05496	9.6
68.81290	6.6
69.07079	7.0
71.57454	7.4
71.57901	8.8
79.05481	16.7
81.07059	14.6
85.02913	6.8
85.05245	5.9
85.16780	5.7
86.41490	6.0
89.02541	6.0
95.08633	6.2
96.02813	6.1
119.08547	8.2
120.54633	5.8
122.09875	6.2
135.91594	6.2
137.06067	9.7
167.07051	14.0
168.07314	7.4
181.05110	7.6
189.02423	6.2
199.06335	8.6
217.07478	15.9
251.09546	13.1
255.08992	13.6
258.60889	7.8
259.11194	12.5
269.10605	97.5
273.09979	12.1
287.11847	38.5
292.12292	13.1
365.16318	78.5
383.17456	100.0
406.19016	27.0
406.23969	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	405.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05514	20.3
57.07070	6.2
65.03931	4.0
67.05507	66.1
69.07067	15.4
69.29609	2.7
69.30015	20.8
71.08628	5.1
71.19769	1.8
73.06353	2.2
79.05495	66.8
81.07059	100.0
83.08613	12.7
85.06546	4.5
91.05485	31.6
93.07050	69.9
95.04960	7.2
95.08610	54.0
97.06530	5.7
97.10149	2.7
98.21501	4.8
99.08092	5.3
105.07032	30.2
107.08597	34.8
109.06531	10.1
109.10155	17.1
117.07021	9.8
119.04959	3.9
119.08591	22.8
121.10145	28.2
123.11716	6.5
127.07552	2.7
129.07008	5.1
131.08577	22.9
133.10123	23.8
135.11674	30.3
137.13263	5.2
139.07549	2.0
143.08556	3.7
145.10146	17.3
145.12665	2.0
147.04401	10.0
147.11696	18.6
149.09557	3.4
149.13251	20.6
151.14891	3.6
157.10182	3.1
159.11713	12.4
161.13249	15.4
163.14815	13.8
165.12845	2.1
171.11723	4.1
173.13237	12.0
175.14890	3.4
177.16365	4.1
185.13287	2.7
187.14774	9.1
191.24768	1.9
204.37564	2.0
215.18065	3.0
231.21191	2.0
233.22638	5.5
241.19507	4.5
243.21077	21.9
259.20599	29.6
260.20660	2.5
261.22147	77.8
262.22559	3.9
277.21631	5.0
279.23318	8.1
405.30203	23.1
405.37119	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05505	1.4
56.05037	3.7
57.03435	3.5
58.99586	5.8
60.64068	0.3
61.01154	0.5
61.41235	0.4
63.82397	0.4
68.05016	0.7
69.07071	0.8
69.32701	0.5
71.31142	0.5
71.31467	0.7
72.08144	0.7
73.01135	1.2
74.00659	0.8
76.02229	15.2
76.03987	1.1
79.05497	2.3
80.05035	0.6
81.07056	12.0
83.06106	0.6
84.04505	16.8
85.01123	1.9
86.00662	2.8
86.99045	3.3
87.02696	4.1
88.02200	1.2
94.06538	0.7
95.08618	2.6
96.08099	0.6
97.01106	0.5
97.06505	1.4
98.09695	8.3
99.05550	0.6
99.08098	4.0
102.05534	3.3
105.07015	0.8
108.08122	0.5
110.09651	1.5
112.03951	2.0
113.04223	4.5
115.05007	0.5
115.05791	1.6
116.01686	14.1
118.28819	0.4
122.09633	0.7
123.08080	0.6
123.54545	0.4
127.05772	1.2
129.06592	2.2
130.05020	6.5
130.06860	3.7
130.08612	1.3
139.05766	1.4
141.04771	0.6
142.03194	1.8
142.04977	0.5
143.02696	1.0
144.01141	5.7
145.05978	0.8
156.08420	13.7
156.10188	8.9
157.06848	5.9
162.02208	16.4
170.02747	0.9
174.05965	0.5
174.09497	11.9
179.04851	8.7
189.03371	1.1
210.11226	2.7
215.04790	0.8
216.06903	4.6
233.05948	0.7
242.08452	0.6
245.05862	0.7
259.11124	100.0
260.09396	1.5
260.11465	1.6
277.12222	2.0
285.12701	2.3
292.86328	0.5
301.66458	0.5
308.09100	1.1
313.12180	4.4
331.13187	6.0
343.13040	1.3
388.15451	2.4
406.11230	0.6
406.16431	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	405.2632
Annotation	Briarellin R
Peak:m/z	Relative Intensity
55.05516	2.2
57.07086	2.5
64.21571	0.4
67.05497	1.8
69.07052	2.0
69.46390	2.7
69.46815	1.6
71.08613	0.5
79.05488	1.2
81.07073	2.3
83.08604	1.0
91.05482	0.9
93.07053	1.4
95.08609	1.6
95.44261	0.4
97.10146	0.8
107.08630	1.1
109.10124	0.9
117.06944	0.5
120.38205	0.4
121.10112	0.9
123.04435	0.4
127.03715	0.8
135.08012	0.6
139.03886	1.7
149.09561	0.6
153.01823	11.2
153.02975	0.8
155.01009	0.7
163.03857	0.9
171.03012	0.5
179.03397	3.4
191.03459	0.8
192.04199	3.9
193.04932	1.6
205.04970	11.6
219.06551	1.7
233.08083	0.7
261.11389	1.0
275.12744	0.9
289.14328	1.9
290.25790	0.5
293.13510	1.8
303.15964	1.8
317.17542	2.7
331.19080	2.5
345.20639	1.5
387.25314	31.9
388.25610	1.3
405.26221	100.0
406.26578	4.9
420.12952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01854	6.3
55.05516	42.8
56.96565	3.0
57.03411	3.7
67.05507	67.6
69.07072	41.3
70.06583	5.8
71.05008	6.7
71.60032	7.1
79.05501	55.0
81.07062	71.2
83.04972	7.6
83.08626	37.6
83.68116	3.3
85.06548	4.8
91.03980	5.1
91.04958	6.6
91.05485	76.5
93.06474	3.9
93.07052	56.0
95.04969	13.6
95.08608	49.2
97.06520	14.7
97.10162	7.7
101.67570	3.0
103.05441	4.7
105.06382	5.7
105.07041	57.9
107.04945	8.3
107.08619	24.9
109.06509	11.3
109.10162	16.5
111.08081	10.9
115.05424	9.3
117.07024	59.9
119.08591	35.7
121.06532	11.2
121.10156	21.9
123.08035	6.2
123.11713	3.9
125.09650	4.3
128.06197	14.7
129.07008	55.0
131.08582	100.0
133.06499	8.5
133.10120	19.0
135.08017	5.7
135.11725	7.4
137.05984	4.4
139.11197	7.3
141.07014	20.6
142.07712	6.2
143.08585	42.6
145.06496	10.3
145.10133	38.8
147.08023	6.6
147.11707	10.0
149.09630	11.1
155.08557	46.8
157.06483	4.1
157.10121	24.3
159.11717	11.2
161.09634	6.7
163.11131	5.7
165.07057	6.9
167.08533	8.2
169.10117	11.2
171.08125	5.0
171.11703	13.8
173.13205	7.5
175.09711	8.2
175.11162	5.5
177.12787	6.4
179.08566	5.9
181.10110	14.1
183.11679	9.5
185.13293	11.2
189.11208	3.9
195.11659	12.1
197.13203	7.6
199.11063	4.4
203.12685	7.0
203.14391	5.0
205.12357	3.5
207.11710	6.0
207.13680	4.0
209.13272	12.3
211.14714	7.9
213.12692	5.5
215.14378	4.5
221.13274	15.6
221.15205	3.4
223.14870	18.6
225.12766	3.7
233.15350	18.8
235.14990	4.0
239.14357	10.2
241.15881	6.1
247.17126	5.4
253.15840	7.6
257.15323	10.4
259.16998	6.0
269.15594	3.5
271.16998	7.8
275.16275	4.4
283.16870	4.1
285.18472	5.3
300.28995	6.1
315.21112	4.9
323.23746	7.3
333.22189	23.7
341.24759	11.7
351.23184	51.9
359.26038	5.8
369.24280	39.0
387.25314	49.6
405.26663	18.9
406.35239	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	405.1909
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
52.08524	0.4
53.03938	1.0
55.01862	0.8
55.05495	0.9
65.03928	1.1
67.05496	1.8
69.03416	1.4
69.07069	0.9
70.06590	1.0
71.04967	0.7
71.59647	0.7
78.04716	3.9
79.05502	5.6
79.98462	0.4
81.03415	1.2
81.07053	2.0
84.04490	0.6
84.08132	0.8
85.02879	1.4
91.05494	4.3
93.07040	1.5
95.04979	2.8
95.08555	0.9
97.06536	0.7
98.09672	1.1
99.04491	0.5
103.05465	5.6
104.06315	0.5
105.07030	7.3
106.04176	2.1
107.04964	9.2
107.08582	0.7
108.02091	0.8
109.02896	1.0
109.06528	1.2
109.10171	1.0
110.03637	0.8
110.22771	0.5
111.04448	1.2
115.05444	2.6
115.94252	0.5
116.06178	0.4
117.07015	1.4
118.04146	1.0
118.07427	0.5
119.04950	1.2
119.08602	1.6
120.08076	0.5
121.06512	2.3
121.10119	0.8
122.03669	1.2
123.04451	7.3
123.08031	0.8
124.05230	4.1
125.06000	1.3
126.89652	0.5
127.03915	0.7
128.06155	0.8
129.07008	1.4
131.04935	7.2
132.05704	0.4
132.57423	0.5
133.06496	6.5
135.04443	0.6
135.08070	2.0
137.05965	8.0
138.03108	0.7
139.03860	0.9
139.07555	0.5
141.06993	0.7
143.04921	0.8
145.06494	2.5
147.04410	3.1
147.08043	0.7
149.05934	1.2
151.03929	4.5
151.07571	4.0
152.04681	2.7
153.05446	1.4
157.06514	1.7
158.07260	0.8
159.08046	1.3
160.05130	0.7
161.05975	8.1
162.12802	0.6
163.03918	0.8
163.07553	14.5
166.06282	0.5
167.07051	100.0
168.07468	1.9
169.06358	0.5
171.04439	0.7
172.05173	1.0
173.06009	0.8
175.07564	2.4
177.05492	1.1
177.09134	2.3
178.06219	0.6
179.07048	3.9
181.04964	13.2
181.08563	4.6
187.07497	2.6
189.05536	0.7
189.09117	1.7
191.07033	1.6
193.08617	19.2
194.08940	0.5
195.06580	0.7
195.10181	0.6
201.09108	1.3
203.06967	2.6
205.08557	1.6
207.10179	0.6
209.05937	1.1
217.08644	1.0
218.05772	0.6
219.08342	0.6
219.10179	2.7
221.08136	0.8
231.08192	0.6
233.08038	5.1
233.11720	1.1
237.11211	0.8
259.11240	1.1
263.09268	1.3
291.10156	1.1
295.13425	0.5
301.07117	1.5
308.01907	2.2
309.11310	0.6
316.09418	1.1
321.04050	0.5
323.12897	1.4
332.05414	0.6
341.13641	0.6
344.04874	0.6
344.09058	1.5
347.07867	0.8
355.15558	3.8
357.13394	1.1
359.07471	0.6
369.13483	1.0
372.08224	0.9
375.07147	1.5
387.13837	2.4
387.18204	1.4
390.09470	1.8
405.11859	9.6
405.19016	1.6
406.12146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
50.03835	0.2
53.03945	0.4
55.01869	0.5
56.30606	0.1
58.86029	0.2
65.03937	0.2
67.05489	0.4
69.03432	0.2
70.06573	0.2
71.59402	0.2
77.03931	0.3
78.04711	3.0
79.05058	0.3
79.05496	3.9
81.03407	0.4
81.07066	0.8
84.04484	0.2
85.02899	0.4
90.46507	0.2
91.05480	2.1
93.03379	0.2
93.07043	0.8
94.04166	0.4
95.04970	1.4
95.08603	0.3
96.05760	0.3
97.02872	0.2
97.06532	0.2
99.04480	0.2
102.02779	0.2
103.05467	4.9
104.06265	0.2
105.03382	0.4
105.07031	5.9
106.04180	1.5
107.04958	6.6
108.05775	0.2
109.02885	0.4
109.06525	1.0
109.20441	0.2
110.03609	0.3
114.10303	0.2
115.05458	2.0
117.07013	0.9
118.04116	0.4
119.04972	0.8
119.08578	0.3
120.05765	0.2
121.02901	0.4
121.06515	1.7
122.03631	0.7
123.04429	6.5
123.08065	0.8
124.05213	3.3
125.05977	0.6
127.03903	0.2
128.06212	0.2
129.07013	0.8
131.04930	6.6
131.08574	0.7
132.05676	0.3
133.05475	0.3
133.06491	6.0
134.03638	0.6
135.04366	0.2
135.08075	1.5
136.05206	0.3
137.05975	2.9
137.09605	0.2
137.57474	0.1
138.03049	0.3
138.06760	0.3
139.07564	0.7
141.06978	0.4
143.04929	0.6
143.06044	0.4
143.08612	0.2
144.05692	0.7
145.06483	2.3
147.04425	1.5
147.08029	0.5
147.11749	0.2
148.05051	0.3
149.05984	1.0
149.09547	0.2
150.06580	0.2
151.03912	1.7
151.07549	3.5
152.04677	2.3
153.05505	0.7
156.05693	0.4
157.06526	0.3
158.07323	0.4
159.08058	0.7
160.05179	0.3
161.05984	7.2
163.07545	14.4
164.07948	0.3
165.09099	0.6
166.06244	0.4
167.07040	100.0
168.07396	1.6
169.06468	0.3
171.08153	0.2
172.05186	0.4
173.05977	1.2
173.09578	0.3
174.06699	0.2
175.07553	1.7
177.05530	0.3
177.09129	2.1
178.06235	0.3
179.07021	2.8
181.05043	0.7
181.08594	4.5
186.06755	0.4
187.07553	2.4
189.09128	0.4
191.07115	0.4
192.07814	0.5
193.08607	18.4
194.08844	0.3
195.10226	0.2
201.09131	1.0
202.07756	0.2
203.06923	0.3
203.08575	0.6
205.08607	1.4
207.10068	0.4
209.08086	0.6
217.08611	0.9
218.09181	0.2
219.08096	0.4
219.10133	2.3
221.16252	0.2
227.09088	0.8
231.08015	0.5
231.10175	0.2
233.07982	0.2
233.11691	1.5
235.11177	0.2
237.11189	1.5
248.08310	0.3
259.07684	0.3
259.11081	0.6
261.23276	0.2
263.10699	0.9
265.08585	0.3
276.07712	0.2
280.10797	0.2
291.10095	0.9
295.13321	0.6
305.11841	0.2
308.10214	0.3
323.12830	2.4
324.13196	0.3
355.15424	4.8
356.15860	0.2
372.15717	0.2
387.14398	0.2
387.18140	1.8
405.19617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06942	1.9
53.03942	5.3
55.01867	4.8
56.05045	3.0
57.03423	7.3
58.06594	2.0
60.04530	11.1
60.04784	1.9
61.02933	12.0
67.05489	2.1
69.03433	36.0
69.94876	12.2
70.06601	5.7
71.01344	2.6
71.04977	4.1
73.02917	7.8
74.06067	9.6
79.05489	5.3
81.03412	17.2
82.06585	4.9
83.01350	3.2
83.05014	3.2
84.04513	11.7
85.02905	86.8
86.06070	4.0
87.04476	6.3
91.03957	3.7
93.05784	2.0
94.06536	2.1
95.04969	6.0
96.04522	2.5
97.02897	32.3
98.06083	4.6
98.21500	2.5
99.04463	7.2
101.02367	2.5
101.07116	2.2
102.05553	8.6
106.06603	3.0
107.04998	3.7
108.04530	2.2
108.08132	4.1
109.02900	12.2
110.06046	7.5
111.04461	7.8
116.05104	2.3
118.06565	2.4
119.03663	6.2
120.04507	2.9
122.06048	2.6
123.04442	10.3
124.07590	5.9
125.02329	2.4
126.05549	4.9
127.03945	23.3
131.17793	2.2
132.04459	13.5
133.07594	5.7
134.06020	6.0
135.04425	6.7
136.03961	6.1
136.07582	2.5
137.07129	3.6
138.05499	4.9
139.03914	3.7
141.05470	5.1
141.06647	2.8
145.04979	16.0
145.07658	2.9
146.06007	3.2
147.05521	3.3
148.03941	9.2
150.05513	5.9
151.06300	6.1
152.07068	9.6
161.05971	2.6
161.07164	6.5
162.05531	9.6
163.05017	3.2
163.08640	4.8
164.03441	5.9
164.07141	3.6
165.06604	3.7
166.05003	3.1
169.04984	9.5
169.07388	3.9
170.08131	9.6
176.07066	3.7
179.08191	8.1
180.06584	6.4
189.06566	5.7
190.05017	5.3
191.08235	6.3
192.06677	2.6
197.09198	3.5
198.07527	3.7
206.10332	2.8
207.07666	17.1
208.06100	5.3
209.09209	7.4
211.10735	2.6
216.08696	5.1
225.08717	78.6
226.07204	4.9
227.10214	3.7
243.09787	100.0
244.10023	3.6
340.66873	2.3
353.49448	2.4
372.28717	2.1
387.14063	17.7
405.15018	70.2
406.15689	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	405.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01871	2.2
56.96552	0.6
57.03444	8.1
58.99591	0.5
59.05003	0.6
61.02636	0.6
61.02933	5.9
65.03945	0.6
67.05511	0.7
68.99808	1.2
69.03432	15.4
70.06594	2.6
71.01354	0.6
71.04985	2.3
71.59705	0.8
72.08138	0.9
73.02932	3.3
74.06074	0.8
75.04469	1.7
76.02229	0.8
79.05483	1.5
81.02983	0.9
81.03421	9.0
81.07063	0.9
83.04976	0.6
84.08115	0.6
85.02911	52.9
86.09723	0.6
87.04464	2.1
91.03930	2.5
91.05487	1.4
93.07034	1.6
95.04968	1.6
97.02895	14.3
98.03662	0.8
98.97583	0.9
99.04456	4.3
103.03951	1.9
109.02888	16.6
111.00784	3.1
111.04437	1.4
115.03878	0.7
115.05397	0.6
116.07123	0.7
117.05509	2.6
123.04445	1.6
126.03136	9.1
127.03924	16.9
129.05461	1.7
131.04857	0.5
137.05972	1.0
139.03900	0.7
141.05475	36.5
145.04958	17.3
154.02599	0.8
155.03404	1.0
156.08398	0.7
156.10205	0.6
159.06493	0.7
163.06049	2.7
163.07430	0.6
165.05542	0.9
167.07024	1.7
167.08424	0.7
169.04976	100.0
170.05397	1.1
171.06578	1.2
175.07744	0.6
175.11954	1.4
176.12177	0.6
177.00780	0.6
183.06528	1.2
193.04979	0.6
201.07559	0.7
211.06020	2.8
225.07634	0.6
231.06494	0.8
243.06232	0.5
243.08577	2.3
249.07588	1.7
252.07571	0.7
259.11041	2.8
291.42932	0.6
387.24265	0.6
404.34869	0.9
405.13596	2.3
405.25702	1.1
409.41904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1185
Annotation	Conyzatin
Peak:m/z	Relative Intensity
59.42682	0.7
67.05505	1.1
69.07072	1.1
70.06616	1.8
72.08134	0.8
79.05499	1.4
81.03417	1.0
81.07058	1.7
83.04963	0.8
85.02910	1.0
91.05487	1.8
91.29601	0.8
95.04950	1.2
95.08617	0.9
98.21439	2.1
100.11298	0.8
103.03861	0.7
103.05469	1.2
105.07049	2.1
107.04977	2.1
109.02866	0.8
109.10075	1.0
114.10307	3.4
117.07026	0.8
121.06499	0.9
123.04407	2.2
123.08095	0.9
129.19797	0.8
133.11818	0.8
135.04385	0.9
137.06058	5.3
139.03844	0.8
145.06621	1.0
147.04407	2.1
149.05977	1.4
151.03951	2.0
151.07503	1.2
153.01823	1.5
153.05438	1.5
159.08121	0.8
161.05992	2.2
163.03954	1.0
163.07620	1.5
167.07065	9.9
168.00603	1.3
171.06415	0.8
177.05469	1.7
177.09103	0.8
179.07045	1.2
181.04994	3.5
181.08525	1.2
183.02873	5.4
191.07077	1.3
193.05029	1.1
193.08643	1.6
195.06598	1.7
203.06952	1.0
209.08253	1.2
229.18182	1.0
233.08105	1.5
244.03717	1.2
249.53773	0.8
258.05270	1.4
259.06119	2.2
261.04102	0.9
272.03140	1.4
273.04288	0.9
273.07684	1.1
274.04730	0.9
286.04691	1.2
287.05508	2.6
288.06290	1.3
289.03394	1.4
299.05630	1.1
300.02704	2.4
301.03595	1.4
301.06964	1.8
303.04941	0.8
304.05869	2.8
314.04221	1.1
315.05081	4.1
317.02841	1.6
319.08124	1.9
329.06329	3.6
330.03708	2.0
331.04568	0.9
332.05249	6.1
342.03790	1.2
343.04572	6.8
344.05225	2.5
345.06207	0.8
346.06824	1.3
347.07614	6.5
357.06055	1.2
359.07693	5.3
360.04599	1.2
361.09460	1.5
372.08014	0.9
374.06323	1.2
375.07153	29.0
387.14423	1.2
389.08890	2.1
390.09476	17.4
391.09824	1.0
405.11835	100.0
405.28970	3.3
406.12207	3.2
421.37933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.2
55.05521	25.1
56.96562	9.0
57.03437	15.0
57.07063	3.2
67.05511	66.3
69.03434	4.3
69.07071	22.5
69.74033	3.4
70.06599	5.0
71.04993	6.3
71.08644	24.6
71.59870	4.7
71.60238	5.7
78.79894	3.2
79.05499	43.6
81.03436	5.1
81.07066	67.6
83.04981	11.1
83.08624	18.9
85.02890	4.3
85.06538	3.6
89.77821	3.3
91.05497	30.4
92.96612	3.2
93.07059	58.6
93.83490	3.3
95.04992	18.0
95.08624	34.8
97.02898	4.7
97.06535	8.3
97.10191	7.9
99.08102	29.3
102.82593	3.1
105.07025	21.6
107.04972	5.6
107.08604	25.1
109.10189	9.5
111.08086	10.3
117.07024	13.6
119.08580	18.0
121.06533	3.4
121.10175	14.2
123.11722	4.9
125.09628	9.9
129.07059	5.5
131.08578	10.1
133.10130	25.3
135.08037	6.2
135.11705	13.5
137.09688	4.4
139.11224	3.8
143.08553	6.0
145.10156	7.9
147.11700	8.8
149.02348	5.1
149.13234	18.4
151.11206	20.7
159.11722	27.6
161.13286	14.8
162.44466	3.4
163.11172	12.0
173.11774	7.8
177.12746	26.7
179.14323	11.7
189.11185	5.4
193.05086	8.2
195.13881	10.6
227.12813	7.8
241.19559	4.5
255.99683	3.4
269.17520	100.0
270.17834	6.0
277.21729	21.8
297.21634	3.2
329.78275	4.0
349.16855	9.1
351.25394	33.7
400.44058	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	20.0
55.05510	25.6
56.96551	5.1
57.03432	9.0
57.07076	6.9
65.34438	2.7
67.05508	33.2
69.03420	5.9
69.07064	15.0
70.06593	4.3
71.08640	21.4
71.08980	4.0
71.33523	5.4
71.33846	4.9
78.53558	3.0
79.05491	19.6
81.03438	5.0
81.07055	45.6
83.04993	7.7
83.08617	19.8
85.02903	5.0
85.06561	3.9
85.10168	10.0
88.38361	3.2
88.41447	3.6
91.05477	22.3
93.07045	23.6
95.04971	6.9
95.08614	26.1
97.02894	3.2
97.06515	14.3
97.10175	4.6
98.97553	3.1
99.08076	13.9
104.93928	3.2
105.07030	19.7
107.08575	15.0
109.06534	4.8
109.10153	12.6
111.08090	19.1
112.08531	3.4
113.09634	12.9
119.08591	18.5
121.10116	10.5
123.08110	6.6
123.11741	4.8
125.09645	4.2
129.06956	7.1
131.08568	6.4
133.10120	13.6
135.11670	8.2
137.09502	3.3
139.11157	4.8
145.10136	3.3
147.11671	15.1
149.09604	6.8
149.13277	6.5
151.11177	9.9
153.12727	3.4
157.10066	4.1
163.11192	6.4
164.74141	3.4
165.12781	15.0
175.11067	3.3
177.12703	4.2
179.14305	5.9
207.13826	3.3
259.20551	5.7
271.81329	3.3
273.12009	5.1
277.21674	51.8
278.21725	4.7
295.22665	15.0
313.44241	3.9
351.25333	60.6
352.25494	3.5
369.26398	100.0
370.26654	6.2
404.22333	5.2
405.22427	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	404.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36863	0.9
55.01892	1.1
56.96572	13.6
67.05513	1.7
69.96709	5.4
70.06577	1.3
72.49936	1.0
79.05489	1.5
81.07079	1.4
83.08600	1.1
91.05443	1.4
93.07067	1.6
94.04202	1.7
95.08624	1.6
98.97584	43.3
103.75062	1.0
116.98630	52.2
122.03662	3.4
129.27293	0.9
134.99666	48.6
137.05983	42.2
138.06273	1.1
140.00153	5.1
153.00702	11.0
158.01259	8.1
162.26535	1.1
179.00148	1.5
179.14284	1.3
197.01280	2.0
220.00528	1.9
226.11169	15.4
235.02765	39.2
238.01521	3.9
242.10663	1.3
244.12253	10.6
249.12842	1.5
253.03847	91.8
254.04279	1.9
255.34503	1.0
267.13873	1.6
268.12122	2.5
271.04950	5.7
276.05426	27.4
276.08273	2.0
280.12219	1.6
291.02777	1.1
329.13162	2.0
344.15186	6.2
362.16525	2.2
404.17474	100.0
405.17694	4.4
405.22504	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	403.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.7
53.03942	7.9
55.05509	24.7
57.03433	3.1
57.07071	4.6
65.03939	2.4
67.05505	37.8
69.03429	2.0
69.07067	11.5
69.40015	14.1
69.56514	1.3
71.04992	4.7
79.05495	79.3
79.78115	1.4
81.03386	1.5
81.07058	100.0
83.04994	2.7
83.08624	7.7
85.06524	2.6
91.05482	51.6
93.07045	77.5
94.07368	1.5
95.04984	10.6
95.08609	28.5
96.12282	1.8
97.06498	2.1
97.10149	2.0
99.08099	2.9
105.07034	48.9
107.08594	41.8
108.08922	1.8
109.06535	16.8
109.10149	12.0
117.07003	11.4
119.08585	41.4
121.10151	31.8
123.08099	1.5
123.11729	1.8
125.09662	1.7
127.07563	5.5
128.06175	2.6
129.01912	2.2
129.06999	8.0
131.08565	15.9
132.09323	1.4
133.10132	41.3
135.08066	2.1
135.11696	35.2
143.08577	8.8
145.10136	16.0
147.11685	32.5
149.09596	3.0
149.13260	19.9
157.10155	5.9
159.11685	12.8
161.09497	1.6
161.13257	21.7
163.11209	3.0
163.14799	6.2
167.07043	2.1
171.11711	11.7
173.13242	9.2
175.11195	1.7
175.14830	8.4
185.13173	8.1
187.14844	1.7
189.12714	1.5
199.14787	7.6
201.16373	1.5
213.16394	2.1
217.15866	1.5
231.17473	2.0
231.21057	7.1
241.19585	21.7
259.20587	84.0
260.20880	1.6
277.21637	21.3
356.53214	1.4
403.17664	2.0
403.28479	41.2
403.39813	1.8
404.28976	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	403.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01859	0.7
55.05505	2.1
56.96552	1.1
57.03433	1.1
58.99587	0.6
59.05004	0.5
60.05650	30.9
67.05500	2.7
69.03430	2.9
69.07066	1.9
69.71461	1.2
69.71870	2.9
70.06593	61.3
71.04990	2.7
71.06930	0.7
72.08157	11.6
73.02929	0.8
74.06087	0.8
76.02227	1.1
79.05495	2.6
80.05016	0.7
81.03415	8.9
81.07057	3.6
83.04971	2.3
83.06104	0.5
83.08621	2.6
83.43268	0.8
84.04497	1.8
84.08148	0.7
84.26662	0.5
85.02899	3.5
85.07681	0.6
86.09694	3.5
87.04481	0.9
91.05468	4.1
93.07040	2.1
95.04988	3.6
95.08590	1.4
97.02882	1.6
97.06528	1.7
97.07667	1.9
97.10168	0.7
98.06093	0.6
98.09677	1.3
98.21487	0.6
98.97580	0.8
105.07016	2.4
107.04974	0.9
107.08592	1.5
109.02885	1.1
109.06526	1.1
109.10131	0.7
110.06070	0.6
111.04478	0.6
111.08047	1.1
112.08734	7.0
114.10291	8.7
114.11018	0.8
114.85601	0.5
115.08707	0.8
116.01737	0.7
116.07095	19.2
116.98647	0.8
119.04946	1.0
119.08593	1.6
121.06507	1.4
121.10123	0.8
123.04470	0.8
123.07996	0.7
125.05981	1.0
125.09689	0.6
127.03915	1.4
129.01866	1.2
129.03712	1.0
129.06934	0.9
130.09760	10.6
131.08556	1.3
131.12936	2.3
133.06491	1.4
133.10136	0.9
134.99634	0.6
135.04408	0.7
137.05972	1.3
139.03874	1.6
139.04877	0.5
139.07559	0.8
145.04956	0.8
147.04387	1.3
147.07954	0.8
147.11673	1.8
148.05164	0.5
149.09639	0.8
151.07513	1.1
153.01912	0.6
153.05440	0.8
153.06584	0.9
154.06863	1.9
157.09897	0.8
157.10980	1.7
157.13313	0.7
158.09265	8.7
161.05980	1.3
162.02206	0.7
163.04007	1.0
166.05757	0.6
167.07063	1.7
175.11911	100.0
176.07098	2.5
176.12199	1.9
177.00681	0.8
177.05482	2.5
178.06158	1.6
179.07083	0.8
181.04964	1.4
185.08058	2.7
187.07564	0.6
191.07106	0.8
193.12267	3.8
204.06599	0.5
205.05006	0.6
207.06500	1.2
209.08084	1.1
211.13347	2.8
223.13353	0.6
225.07564	0.7
229.07332	1.1
229.57494	1.0
231.08067	1.0
233.72943	0.6
236.16582	0.6
237.82845	0.5
238.18007	3.3
241.10686	3.2
244.09717	0.8
254.17578	3.7
256.19150	6.0
257.07083	0.8
257.09521	4.6
262.10760	5.6
275.10574	0.6
280.20264	1.1
283.33957	0.6
287.13715	0.6
298.21249	0.8
315.23984	3.0
329.11746	0.6
341.21835	0.8
341.25528	2.1
359.22882	3.5
385.19531	0.7
385.24438	11.6
386.24866	0.8
403.14908	3.0
403.20172	1.9
403.25513	48.9
404.15018	0.8
404.25955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25515	0.5
51.77961	0.5
55.01867	1.3
55.02978	0.5
55.05519	2.8
56.96567	0.7
57.03425	1.4
57.07059	0.5
59.05001	0.6
60.05651	30.9
67.05515	3.1
68.05031	0.7
69.03426	3.1
69.07056	1.7
70.06596	64.2
70.82471	0.5
71.04998	2.6
71.06933	1.4
71.57938	0.8
72.08161	12.3
79.05505	3.2
81.03428	8.3
81.07066	2.7
82.06596	0.6
82.82935	0.6
83.04977	2.3
83.08638	2.9
84.04556	0.6
84.08140	1.2
85.02912	3.3
86.09689	2.0
87.04473	0.7
88.38242	0.5
91.05495	5.7
93.07054	2.3
95.04969	4.0
95.06073	0.6
95.08594	1.8
96.08146	0.6
97.02888	2.2
97.03456	0.6
97.06571	0.9
97.07686	2.7
97.10150	0.6
98.06053	0.7
98.09708	1.2
98.97581	1.3
103.05447	0.6
105.07057	2.8
107.04939	1.7
107.08591	1.7
109.02836	0.8
109.06542	0.9
109.10165	0.6
111.08114	1.3
112.08742	6.9
113.07102	0.8
114.10292	9.3
115.08727	1.1
116.07101	20.7
116.98634	0.9
119.04961	0.7
119.08633	2.6
121.06530	0.7
121.10149	2.1
123.04459	1.1
123.08099	0.9
127.03922	1.0
129.01834	1.6
129.06985	0.8
130.09773	12.3
131.08609	1.6
131.12933	2.6
133.10094	1.8
137.06003	1.0
139.03906	1.3
145.10112	0.6
147.04333	1.0
147.11679	1.5
149.06007	0.9
149.09663	1.3
151.03893	1.0
157.09955	0.8
157.11020	1.0
158.09250	10.2
159.33842	0.5
163.03915	0.7
163.11191	0.6
167.07042	3.8
175.03926	0.9
175.11929	100.0
176.12218	1.2
177.00633	0.9
177.05493	2.4
178.05902	1.8
181.04987	1.0
181.08667	0.7
193.12265	4.3
194.05788	1.5
197.08096	1.1
199.07576	0.5
205.05138	0.6
207.06516	1.3
209.08093	1.4
209.56248	0.6
211.13361	3.7
219.01695	0.6
223.13353	0.6
223.15288	1.1
225.07602	0.8
235.07594	0.8
237.02849	1.5
238.17979	2.5
241.14241	0.7
241.16373	0.7
252.10208	0.9
254.17554	5.3
256.19122	5.4
257.09586	1.0
262.10837	1.0
280.20062	0.7
283.11914	0.5
298.21408	1.0
315.23962	2.5
341.25528	1.5
359.22986	4.6
372.38928	0.7
385.24463	10.9
403.16125	4.3
403.25534	59.0
404.25876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.3
55.01874	7.8
56.23696	4.0
57.03438	9.4
60.04531	61.8
61.02921	15.2
65.70586	4.5
67.05512	5.0
69.03426	54.5
70.06581	8.9
71.01337	4.3
71.58025	5.2
72.04507	6.4
73.02909	7.8
76.03997	13.5
77.59608	4.0
80.04970	5.3
81.03416	22.5
84.04498	8.1
85.02910	100.0
86.03226	12.0
86.06079	6.7
87.04497	9.9
93.69251	4.0
95.04982	8.1
96.04499	4.6
97.02893	44.2
99.04482	6.6
100.03976	10.8
104.05002	5.6
107.04945	18.3
109.02883	19.0
111.04465	8.7
122.06040	9.9
123.04417	12.6
124.03976	6.0
125.02351	4.8
126.05511	11.6
127.03964	27.8
129.01822	9.2
131.06085	5.7
132.04445	16.6
132.06879	7.0
134.06000	6.4
135.05513	6.6
136.03909	8.6
137.02333	7.7
139.03894	11.8
140.07108	5.9
145.04974	30.5
148.03964	27.3
149.07101	10.8
150.05510	13.1
151.03935	4.6
152.07060	7.1
154.04945	4.0
157.01268	4.8
159.05676	5.1
160.03979	9.8
161.07143	11.7
162.05516	14.6
163.05048	13.8
164.03419	15.5
164.06995	5.7
167.05779	6.5
167.07030	6.0
168.06561	16.8
177.06624	18.4
178.05009	13.6
180.02930	7.0
181.06148	7.3
188.03401	11.4
196.06050	9.0
204.08705	7.1
205.06125	37.2
206.04485	14.3
211.75124	4.4
223.07176	66.3
224.05521	5.3
224.09363	5.3
241.08211	86.2
241.11911	6.1
268.33237	4.5
385.12378	14.8
403.12515	25.3
403.15750	23.1
404.15353	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
55.01880	5.5
56.05037	5.5
56.96578	4.5
57.03436	6.7
60.04521	24.6
61.02927	9.9
69.03433	30.9
70.06585	11.9
71.04987	6.2
71.39623	7.4
73.02905	9.1
74.06086	10.8
80.40244	3.5
81.03420	16.9
82.06570	5.5
84.04509	9.9
85.02913	82.4
85.82738	3.5
86.03263	4.7
91.05475	5.0
92.03503	4.6
94.06593	3.7
95.04984	9.2
97.02888	32.6
98.06036	4.0
99.04470	9.1
101.02372	7.8
104.04996	4.4
105.42835	3.9
106.06530	3.9
107.04967	4.2
109.02890	16.3
110.06053	8.6
111.04440	10.9
113.02402	4.6
114.05534	3.5
116.07086	5.3
122.06005	8.4
123.04418	22.8
125.04785	4.2
126.05538	9.1
127.03897	22.8
129.01866	5.1
130.01930	4.3
131.05011	4.6
131.05995	5.0
132.04456	34.6
134.06035	6.2
135.04480	5.9
136.03955	13.8
136.07591	5.8
137.05975	7.2
138.05554	4.8
139.03928	8.1
140.07043	3.9
143.03358	4.6
144.04439	5.7
145.04985	14.0
146.06010	7.9
148.03949	19.3
149.07114	6.5
150.05487	18.4
152.07140	7.0
154.04996	6.5
159.05492	4.4
160.06262	4.6
161.07178	5.6
162.05539	7.6
163.05060	12.1
164.03458	8.4
164.07076	6.2
168.06601	15.2
173.07251	4.8
175.11972	10.1
177.06683	7.6
178.04962	5.2
180.06644	4.2
187.04866	4.1
191.08281	5.2
204.08640	7.8
205.06216	9.8
209.09267	5.0
223.07146	20.8
225.08653	8.8
241.08192	100.0
243.09763	6.1
276.09702	9.2
338.09656	6.8
385.12488	6.5
403.13004	39.0
403.25092	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	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
54.01091	2.6
55.01870	8.8
55.05518	23.7
56.96561	5.7
57.03436	9.3
66.80818	3.4
67.05509	43.5
69.03420	3.7
69.07067	22.2
70.06585	3.5
70.92267	6.2
71.05006	3.9
71.91246	3.4
79.05500	29.9
81.03418	11.1
81.07064	100.0
83.04959	3.7
83.08636	20.0
85.02926	5.0
85.06523	3.2
91.05492	30.2
91.06025	3.9
93.07049	31.7
95.04979	13.4
95.08610	25.2
97.02887	7.7
97.06529	10.1
97.10154	3.8
99.08096	4.4
102.42957	2.9
105.07034	25.6
107.04967	11.0
107.08609	21.2
109.02879	16.4
109.06516	28.3
109.10171	8.9
110.03258	4.1
111.04429	3.6
111.08089	4.9
117.07024	7.5
118.07367	3.1
119.08593	22.8
121.06498	7.8
121.10159	14.9
123.08082	6.8
123.11698	10.5
129.07008	3.6
131.08562	16.7
133.10127	17.2
135.08051	5.0
135.11725	9.4
145.10152	11.9
147.11687	17.7
149.09605	10.4
149.13284	4.8
154.55092	3.0
157.10118	5.2
159.11740	7.3
161.09731	4.8
163.11177	7.8
165.12830	6.6
173.09612	3.7
173.13243	3.5
175.11188	3.3
177.12831	4.0
205.73448	3.3
229.07491	4.7
247.08528	5.8
247.20488	5.1
257.19012	7.3
269.10541	5.1
275.20105	51.8
293.21115	10.3
296.10318	8.1
316.11755	10.9
349.23779	77.2
366.21451	4.8
367.24814	92.4
368.25250	5.0
384.22614	8.2
402.17361	5.4
402.23526	11.2
402.32178	4.9
403.24673	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.01888	11.7
55.05510	24.5
57.03431	28.4
67.05508	79.0
69.03415	8.2
69.07076	49.2
70.35576	15.7
70.35973	10.9
79.05496	53.5
81.03471	6.9
81.07072	94.3
83.05002	13.2
83.08620	25.3
91.05493	38.2
93.07050	71.4
95.04964	9.4
95.08608	39.4
97.06548	25.3
97.10181	13.5
105.07056	27.5
107.04980	14.7
107.08628	37.8
109.06537	13.2
109.10153	14.4
111.08097	15.6
117.07046	27.4
119.08596	35.9
121.10182	19.6
122.19968	6.4
125.09698	7.5
131.08574	22.6
133.10135	23.4
135.11708	24.3
145.10164	13.1
147.11743	7.3
149.09641	17.8
149.13205	16.8
157.10249	7.5
159.11737	21.8
163.11169	8.7
167.07063	8.6
173.13269	8.3
177.12770	15.3
181.04880	7.3
183.68103	6.6
227.12834	9.5
247.20483	7.5
255.15900	62.3
257.19110	11.7
267.56424	6.5
269.17465	100.0
275.20148	59.9
331.11130	9.1
339.44751	7.6
349.23767	43.1
367.24658	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	19.9
57.03436	8.0
66.17149	7.4
67.05510	43.3
68.24761	6.6
69.03414	11.1
69.07058	28.1
71.59946	13.7
79.05503	43.2
81.03442	14.0
81.07060	100.0
83.04969	10.8
83.08594	18.1
85.02898	12.6
91.05461	31.4
93.07027	29.2
95.08596	30.1
97.02880	9.7
97.06544	13.7
105.07014	29.3
107.04975	10.6
107.08601	24.4
109.06512	29.2
109.10152	13.4
117.07008	16.9
119.08575	21.1
121.10171	19.9
123.08073	9.4
124.51630	7.3
131.08524	14.2
133.10086	8.9
135.11615	9.9
145.10129	13.6
147.11723	14.1
159.11612	9.2
163.11237	15.0
183.11700	9.8
229.07513	15.0
257.19037	13.4
269.10590	7.7
275.20111	85.5
293.21133	15.1
296.10123	15.4
299.74191	9.2
302.50592	8.1
316.11768	30.4
349.23804	88.3
367.24951	69.5
403.20551	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	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40141	0.8
55.01871	2.0
55.05502	3.3
57.03418	2.1
57.07050	0.9
57.95806	0.9
59.04998	2.4
59.22182	1.0
60.05643	2.9
61.02896	0.9
67.05497	3.8
69.03427	4.2
69.07064	3.9
70.06597	17.3
71.04996	28.2
71.06914	1.6
71.39703	1.4
72.08149	4.4
79.05489	4.0
81.03409	1.5
81.07061	3.8
83.04984	2.6
84.04509	2.2
85.02914	8.8
85.06528	1.3
86.09700	3.3
87.04481	1.3
89.06029	25.4
91.05478	5.5
93.07030	3.3
95.04969	3.9
95.08614	4.4
97.02881	4.4
97.06538	3.1
105.07051	2.9
107.04958	5.4
107.08610	4.4
108.05320	1.1
109.02859	1.4
109.06488	1.7
109.10178	7.9
111.04443	2.0
111.08123	1.0
111.95689	1.1
112.08700	1.9
113.05996	2.1
114.10270	2.8
115.05415	1.2
115.10651	1.1
116.07074	2.6
117.07008	1.6
119.01918	2.8
119.04949	2.1
119.08591	4.8
121.06509	0.9
121.10126	6.1
123.04421	5.1
123.08087	2.4
123.11698	1.9
124.07569	1.2
125.02347	1.4
125.06068	1.3
127.03931	2.0
129.06889	1.1
130.09737	1.2
131.04889	1.5
131.07019	1.7
131.08566	7.9
133.06418	1.0
133.08603	16.5
133.10149	2.6
135.04427	12.6
135.08087	1.6
135.11705	3.8
137.05983	1.5
137.09584	1.8
139.03906	38.7
143.01880	5.4
144.05681	1.3
145.04953	1.7
145.06458	2.0
146.06006	2.3
147.04361	1.1
149.06079	1.1
149.09668	1.3
149.13246	3.2
151.03920	1.8
151.07500	1.8
153.01834	18.5
153.05472	5.8
157.06383	1.1
157.09760	1.5
159.08057	10.9
161.03000	9.5
161.06033	2.0
162.03191	1.2
163.03915	26.5
163.07576	5.9
165.05473	1.2
167.03439	2.9
167.07076	3.6
168.07500	1.2
175.07524	1.0
175.11922	3.7
175.14850	5.0
176.04695	1.2
176.12218	1.4
177.05576	1.9
177.09149	6.9
177.11217	5.5
179.07097	5.0
179.08397	1.0
181.04984	10.0
181.08603	1.6
185.09276	1.5
187.07549	6.7
193.15834	2.8
203.04030	4.0
205.07120	0.6
205.08598	28.8
223.09654	100.0
224.10005	2.3
239.14867	1.2
280.10385	0.9
283.17554	1.4
293.15833	2.1
311.17004	3.9
312.17587	1.0
327.20126	10.5
331.11389	1.5
353.18091	5.2
384.15088	4.1
384.23172	3.5
385.24216	4.6
402.16537	2.4
402.24561	7.1
413.20322	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	402.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
55.60949	1.6
61.02926	4.0
69.03455	3.4
70.06592	9.7
70.20912	6.8
73.75338	1.5
75.05697	1.6
81.03409	3.6
85.02936	8.8
86.09710	1.9
87.00819	1.8
91.05503	3.1
95.04972	4.0
95.89267	1.7
97.02895	4.0
101.02377	2.3
103.05457	3.9
105.07018	2.4
109.02914	3.0
111.04475	2.5
115.05451	3.0
117.06989	2.2
118.04173	2.1
119.03436	2.2
121.06502	1.8
123.04450	4.1
125.06002	2.1
127.03906	3.9
131.04916	11.5
132.04459	7.1
133.06502	4.8
135.04352	2.2
139.03931	3.4
141.06973	3.7
143.03436	2.8
144.96887	2.1
145.06487	5.3
147.04401	5.7
148.06149	5.7
152.11876	1.7
155.07048	3.3
157.06421	4.2
159.04379	3.8
159.08090	3.3
161.05968	9.6
163.03902	3.9
167.03456	4.0
167.07040	5.4
168.03731	2.2
169.06464	7.5
171.04456	2.6
173.06004	3.4
175.03996	4.6
176.04752	2.4
177.05559	5.7
179.06949	1.8
180.07831	5.0
181.04968	6.3
182.05312	3.3
185.05959	2.9
186.06729	5.0
187.03938	8.2
187.07515	4.8
189.05461	8.2
191.07018	17.7
192.07701	1.9
193.08609	3.6
197.05948	7.3
201.05482	2.3
203.07111	2.3
204.04216	8.9
205.08627	4.1
207.06569	3.1
211.07632	2.7
213.05612	2.7
214.06277	2.9
215.07109	10.8
217.04976	6.2
217.08658	2.8
218.05745	2.1
219.06595	17.4
223.09819	3.0
229.08601	5.3
231.06587	6.0
232.07368	3.1
233.08153	2.6
242.05664	2.6
243.06549	7.5
245.04387	6.2
245.08154	5.0
247.09703	6.6
257.08188	12.6
260.06857	17.2
273.07584	3.7
275.09152	100.0
277.07114	13.3
287.05414	7.3
301.07068	9.8
309.72720	2.4
319.08148	26.2
320.08286	2.0
337.09186	50.4
355.10156	3.2
402.18185	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.9
53.03937	3.1
54.28691	0.8
55.01875	4.9
55.05512	8.2
57.03433	1.8
57.07077	62.4
60.71686	0.7
67.05166	1.3
67.05505	16.9
69.03433	12.8
69.07068	13.3
70.79004	2.5
71.01331	1.3
71.04997	4.8
71.08635	47.3
73.02917	3.6
79.05475	2.3
81.03423	14.2
81.07060	27.0
83.08620	21.6
85.02917	4.0
85.06551	1.2
85.10182	26.8
93.07054	1.2
95.08607	41.8
97.02895	75.9
97.10177	10.9
98.03236	1.1
99.04456	29.0
99.05106	1.7
99.11728	2.3
101.02399	0.9
109.02886	15.8
109.10161	19.9
111.11737	3.8
112.10958	0.7
121.10119	1.1
122.10326	0.8
123.11723	9.7
125.13262	3.2
127.03918	39.7
137.13251	5.8
139.14819	2.2
141.95447	0.8
145.04985	6.1
151.14783	2.0
165.07562	0.7
165.16382	2.7
179.17896	0.8
190.96350	0.8
191.15448	0.8
221.22649	4.8
239.23701	100.0
240.24005	3.5
257.24777	3.5
298.27374	2.0
335.25885	3.7
339.34821	1.1
383.28030	4.4
401.29263	1.7
401.38278	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97072	3.6
54.23452	3.2
55.01873	49.9
55.05514	37.9
57.03440	61.1
58.41019	3.0
67.05505	39.3
69.03420	11.8
69.07079	19.9
71.04984	5.3
71.08624	19.4
73.02924	24.0
79.05501	26.5
79.66186	3.1
81.03403	12.7
81.07065	36.6
82.07816	3.4
83.04987	43.5
83.08630	18.7
84.05762	4.6
85.02905	8.1
87.04496	3.5
91.05492	20.9
93.07034	24.6
95.04964	16.2
95.08614	20.1
97.02870	10.9
97.06541	24.3
97.10178	22.8
98.07288	4.6
99.08116	19.1
103.05454	4.0
105.07029	15.4
107.04958	19.7
107.08603	21.7
109.02886	8.3
109.06530	7.6
109.10137	15.3
111.04458	8.2
111.08097	21.2
112.08871	8.5
116.04727	37.0
117.07004	7.3
119.08575	14.2
121.06534	3.4
121.10140	14.9
123.04449	5.8
123.08051	8.5
125.05972	4.3
125.09630	21.9
129.05489	100.0
129.06972	5.8
131.08530	8.3
133.10162	6.5
135.08035	5.2
135.11676	8.6
137.06004	4.8
137.70837	3.3
139.11148	21.9
143.07053	27.7
143.08646	4.0
144.05775	5.1
145.10126	11.8
147.11772	6.4
151.11186	6.2
156.05740	4.3
157.06541	5.0
157.08606	60.4
157.12254	8.4
157.48721	4.1
159.08049	8.8
159.11748	3.3
161.09756	4.0
163.03899	7.1
163.11172	7.1
165.12701	4.6
167.07056	37.0
167.10695	7.6
171.10172	23.0
173.09555	4.1
177.05383	5.4
177.12782	9.0
181.04959	8.2
181.12254	5.7
187.07574	4.0
189.11212	18.3
193.12325	5.1
199.13208	4.0
200.14085	14.7
203.21327	4.1
205.08591	5.9
207.06526	9.9
208.05275	5.7
217.08498	9.5
219.07971	5.3
219.10048	4.3
227.12814	4.8
229.14357	5.6
235.07539	4.2
247.09715	6.2
248.08255	5.9
263.10880	3.6
265.08557	4.5
269.08127	9.2
275.06937	4.4
275.20062	13.4
277.08755	3.8
279.10214	4.4
282.08884	4.8
291.10083	10.7
291.19647	5.5
292.20108	4.4
293.08243	5.4
293.21066	8.5
295.15488	5.5
307.09476	5.0
315.08539	24.5
323.12613	6.4
330.10995	35.1
331.11563	5.1
332.12131	3.6
339.12375	8.5
343.11691	5.8
351.12363	9.0
366.23801	3.7
367.24832	6.7
383.10803	4.8
383.14948	39.9
384.15247	4.9
401.16022	15.2
401.25424	73.3
402.25540	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	401.2398
Annotation	Bisucaberin
Peak:m/z	Relative Intensity
50.24882	0.3
52.68854	0.3
55.01865	2.3
55.05511	0.9
60.05652	8.0
67.05509	3.9
69.03422	0.4
69.07070	0.9
69.26677	0.8
69.27071	4.1
70.06596	29.7
71.04996	2.3
72.08153	2.5
79.05493	2.4
81.07073	2.1
83.04984	4.9
83.08598	0.7
84.64736	0.4
85.02907	1.2
91.05468	1.3
93.07043	3.2
95.04977	0.6
95.06089	1.0
95.08619	1.4
97.02885	0.5
97.06528	1.1
97.07664	1.4
98.06071	0.7
98.20724	0.8
99.04435	1.1
99.08074	0.6
99.49303	0.4
105.07056	0.8
107.04960	1.2
107.08607	2.6
109.06490	0.4
109.10171	2.5
110.06060	0.4
111.04446	12.3
111.08092	3.8
112.08739	8.2
113.07132	1.2
114.10314	1.9
115.08702	2.4
116.07095	7.1
117.06994	0.7
119.08587	2.1
121.06516	0.7
121.10146	3.9
121.57345	0.3
125.06007	0.8
126.54072	0.4
129.07042	0.5
130.09760	3.8
131.08565	1.6
133.10109	0.5
135.11691	4.1
137.05968	0.6
139.03909	0.7
145.10153	3.0
147.11703	1.2
149.09653	1.3
153.10231	1.2
153.12737	5.4
155.08565	0.5
157.10912	0.4
158.09247	6.7
163.11201	8.5
167.07048	0.5
173.09610	2.3
175.11920	12.9
177.05484	0.4
181.04927	0.9
181.12236	10.2
187.07530	0.4
191.10683	9.0
191.12329	0.7
197.11716	1.0
208.13390	1.3
209.11711	2.0
216.71635	0.4
219.10213	0.6
226.14468	0.4
227.12793	7.1
227.14909	0.6
247.07622	0.5
251.57103	0.4
280.19122	1.2
302.18695	0.5
305.18750	0.8
315.08633	0.4
320.19681	4.4
322.21289	0.7
339.23932	1.0
348.18881	0.5
366.20538	0.5
380.76709	0.4
383.15280	0.4
383.22925	2.5
401.23972	100.0
402.24396	2.0
409.69467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01871	2.4
55.05509	2.1
63.70681	1.4
67.05497	3.6
69.03436	2.5
69.90512	8.7
70.06576	3.5
79.05498	16.4
81.03444	1.6
81.07037	3.7
85.02901	4.0
85.95725	1.4
91.05492	7.2
93.07077	2.8
95.04974	5.4
95.08611	2.5
97.02872	1.6
97.06519	2.2
98.97546	1.3
101.00597	3.5
103.05480	2.0
105.07034	2.7
107.04958	26.6
109.06514	2.0
115.05451	3.9
116.06251	1.8
117.07005	3.7
119.04967	1.7
119.08571	2.8
121.06539	3.6
121.07538	1.6
121.10103	2.1
123.04436	3.4
123.08052	6.6
124.05210	5.8
125.06000	3.5
127.03922	1.6
128.06175	1.8
129.07021	6.5
131.04922	4.6
131.08580	9.1
132.05724	2.4
133.06474	2.7
133.10124	3.8
135.08044	1.8
137.05923	4.1
139.03893	1.9
139.07733	1.3
141.06999	4.9
144.05714	5.5
145.06487	6.7
147.04416	2.1
151.07570	2.7
152.04726	2.5
156.05676	11.6
157.06508	3.7
158.07265	2.1
159.08064	15.6
161.05956	4.7
163.03949	2.7
163.07570	3.8
165.06963	1.7
167.07048	95.2
169.06578	3.4
170.07385	2.7
173.05975	4.9
175.07527	2.2
175.11960	1.5
177.00731	1.8
177.05534	1.8
177.09090	1.8
178.99817	1.6
179.07033	4.0
181.04965	5.8
181.06406	1.6
181.08620	6.7
182.60518	1.5
184.05225	4.3
186.06804	4.7
187.07568	10.4
190.06160	2.2
191.06935	3.0
191.08527	2.4
193.08607	2.3
195.06516	3.6
195.10057	2.1
202.06236	4.4
202.07932	2.9
203.08565	3.3
204.07838	2.1
205.08562	14.2
207.06548	5.8
207.10115	3.7
208.05202	21.8
209.05940	2.7
209.08090	2.2
210.06683	2.0
211.07555	2.6
212.04355	1.4
215.06950	2.5
217.08592	34.6
218.07257	4.6
219.08060	8.5
219.10176	6.2
220.08798	4.8
221.06102	3.3
221.15320	2.5
223.07570	1.6
226.06157	1.9
229.08611	6.2
231.08055	8.4
231.10143	2.7
233.09566	2.4
234.10435	1.7
235.07516	2.9
235.11267	1.9
235.83913	1.6
236.04721	7.5
236.08257	2.9
237.09126	2.9
238.06242	3.6
239.07063	4.0
239.10892	2.1
240.04161	2.4
244.04883	1.4
245.09715	2.8
247.07501	11.1
247.09694	19.1
248.08276	9.8
249.05504	2.1
249.08952	3.6
250.06252	1.8
251.10814	2.1
254.05753	10.6
255.06345	2.5
259.07510	3.5
260.08405	2.1
261.09119	4.2
262.09875	3.7
263.10651	8.7
264.07901	4.6
265.08594	5.9
267.06500	5.9
268.03641	2.6
269.08078	25.2
271.09711	8.8
272.06683	3.8
273.09012	1.7
275.07010	5.0
276.07755	5.9
277.05661	1.4
277.08594	8.2
279.07227	2.2
279.10107	9.6
281.08093	2.6
282.05246	4.3
282.08850	12.2
285.07504	2.0
287.09335	2.6
289.08310	2.6
290.09344	4.3
291.10141	15.3
292.07379	3.6
292.10678	2.1
293.08066	8.3
296.10361	2.0
297.07797	2.2
299.09103	4.6
300.06403	2.2
301.07077	4.0
305.08112	2.7
305.11752	2.2
307.09619	11.8
308.10458	6.4
309.11261	2.2
310.08472	6.5
311.12842	2.8
313.10754	1.9
315.08621	82.3
316.09131	4.5
319.09595	8.4
320.10620	2.2
321.07877	2.9
321.11179	3.2
322.08603	1.6
322.12070	1.8
323.09280	2.0
323.12808	13.6
328.09479	6.0
330.10977	100.0
331.11627	11.4
336.09991	6.9
337.10770	7.1
339.12192	9.5
343.11749	21.5
351.12222	26.3
352.12979	4.6
353.10168	8.8
356.12473	4.0
368.12646	8.2
369.13297	4.6
369.17294	2.1
371.14972	5.5
373.16479	2.8
383.14914	72.1
384.15256	2.9
401.08359	2.0
401.15805	26.6
401.20633	3.4
401.28644	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	401.1599
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03941	2.0
57.03444	1.4
67.05505	3.2
69.03440	2.2
69.26217	15.2
70.06598	2.6
78.04694	2.4
79.05492	15.9
81.03419	2.1
81.07058	5.5
85.02917	2.2
90.84488	1.3
91.05486	5.2
93.07045	2.8
95.04998	3.0
95.08616	2.8
95.61434	1.2
97.02882	1.6
97.06519	1.6
105.07051	4.1
107.04957	23.2
109.02892	2.2
109.06525	2.8
111.08035	1.4
115.05468	3.1
116.06260	1.9
117.07017	2.6
119.04950	1.5
119.08578	1.7
121.10144	2.4
123.04426	4.9
123.08071	1.7
124.05249	5.2
125.06029	3.6
127.03887	1.4
128.06242	2.1
129.07018	5.7
131.04904	1.9
131.08569	7.2
132.05713	1.5
133.06526	2.1
133.10185	1.6
137.02327	2.0
137.05959	2.4
141.07002	3.1
143.08572	1.2
144.05710	5.3
145.06523	5.0
145.32014	1.5
147.11716	1.7
149.05914	1.4
151.03888	2.2
151.07594	1.5
152.04721	3.0
153.05550	1.7
156.05711	7.6
157.06516	3.5
158.07240	1.6
159.08049	12.4
161.06041	2.8
163.03925	3.6
165.07005	3.0
166.06093	1.3
167.07047	86.3
168.07384	2.6
169.06502	4.0
170.07339	1.7
173.06032	5.3
175.07552	2.3
177.05534	2.8
179.06993	2.0
181.05017	6.7
181.06361	1.4
181.08606	3.2
182.07262	1.9
184.05219	2.6
186.06767	3.1
187.07550	8.2
189.07091	1.5
189.08974	1.5
190.06320	1.5
190.07858	1.5
191.03549	1.5
191.07008	1.6
191.08607	2.6
193.08624	2.9
195.06586	3.1
201.09111	2.5
202.06236	3.8
202.07933	1.9
203.08652	2.5
204.07816	2.5
205.06656	1.7
205.08563	14.5
206.07259	1.8
207.06531	5.6
207.08247	1.9
208.05199	19.6
208.08681	1.8
209.05902	1.3
209.07919	1.4
210.06789	1.7
211.07600	2.9
214.06380	1.4
215.06987	1.6
217.06520	3.2
217.08559	25.5
218.07310	4.5
219.08073	10.8
219.10187	5.0
220.08888	3.7
221.06029	3.6
221.15439	1.4
224.04828	1.6
229.08655	4.5
231.08070	8.9
231.10080	2.0
232.08870	2.9
233.06088	1.3
233.09592	3.2
234.06718	1.5
234.10336	2.1
235.07526	3.3
236.04681	10.3
236.08371	3.4
237.08997	1.6
238.06320	2.2
239.06981	2.4
240.04202	2.9
245.09541	2.3
246.06815	2.0
247.07509	9.7
247.09697	18.8
248.08252	9.3
249.05525	3.6
249.08946	3.7
250.06276	1.7
251.10725	3.2
254.05716	7.8
255.06491	2.9
256.07355	1.5
257.04483	2.2
258.06805	2.3
259.07574	3.8
260.08325	2.4
261.09143	5.4
262.09894	4.2
263.07065	3.3
263.10699	8.6
264.07883	6.0
265.08643	5.4
267.06558	5.7
267.09845	1.5
268.03616	2.4
269.08112	27.6
271.06161	2.2
271.09677	5.6
272.06790	3.8
275.07065	5.0
276.07794	9.9
277.05341	1.7
277.08585	5.1
278.05817	1.7
278.09335	1.6
279.10165	7.9
281.08145	3.1
281.11462	1.7
282.05579	3.1
282.08911	14.6
286.05011	1.5
287.09296	2.7
289.08612	1.7
290.09473	5.4
291.06924	2.7
291.10101	13.6
292.07364	4.2
293.08081	10.8
294.08591	1.7
295.06284	1.7
296.10461	1.8
297.07684	1.4
299.09161	3.8
300.06293	2.8
300.09644	2.0
301.06970	3.4
305.08069	3.8
307.09686	10.7
308.10333	6.4
309.07501	2.2
309.10880	2.0
310.08420	6.6
311.12823	2.8
315.08618	85.9
316.09149	4.1
319.09625	7.9
320.10318	1.8
321.07587	3.0
321.11169	1.7
322.08368	2.3
322.11938	2.2
323.09299	3.0
323.12766	15.0
325.10840	3.1
328.09433	6.6
330.10986	100.0
331.11688	13.8
335.09027	1.6
336.09885	3.5
337.10687	7.5
338.07907	1.9
339.12234	9.3
341.09973	1.6
343.11795	21.3
351.08130	1.6
351.12341	27.8
352.12921	4.6
353.10300	8.7
356.12360	3.1
368.12643	10.1
369.13260	6.1
371.14896	6.3
383.14905	74.5
384.15210	5.3
401.11426	2.5
401.16113	28.8
401.21136	1.6
402.16351	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
61.02962	0.7
65.03928	3.2
67.05499	2.2
69.03417	2.4
69.61088	5.4
70.04076	1.4
70.06586	5.4
79.05478	1.1
79.81342	0.8
81.03389	0.8
82.04211	1.0
84.04523	1.0
85.02917	5.3
86.06071	1.1
87.04418	0.8
91.05475	7.1
91.42492	0.8
93.03380	1.0
94.06604	1.1
95.01334	4.6
95.04953	2.5
97.02905	1.7
97.06528	1.4
98.09649	0.8
98.97591	1.7
103.05495	0.8
105.07052	0.9
107.04976	2.2
111.04446	1.7
116.07074	0.9
116.98671	0.8
119.04096	1.3
119.04942	20.3
119.08596	1.3
121.02827	1.1
123.00797	14.5
123.04435	3.8
125.02338	1.8
125.05959	1.1
126.03752	11.5
127.03923	1.2
131.04916	1.7
132.04445	3.2
133.06487	1.4
135.04419	0.8
137.02382	1.5
139.03902	1.2
140.04681	1.6
141.01831	23.4
141.02898	1.6
142.02643	1.2
145.34538	0.7
146.09578	0.9
147.04414	100.0
149.05930	0.9
151.36789	0.8
153.05496	1.4
155.06990	1.8
159.06651	0.9
161.05995	3.0
163.03889	1.0
167.07065	3.0
169.01357	1.6
171.06497	4.3
175.11919	1.2
177.05490	3.3
181.04961	86.4
182.05238	0.8
183.09044	0.7
189.05374	1.7
193.08466	1.5
197.07484	1.1
208.06105	0.9
209.08080	3.5
217.04964	0.9
221.08153	1.6
231.06644	2.2
237.07599	0.8
239.08990	2.2
240.13380	1.6
249.07652	1.5
272.10632	0.9
277.07053	3.8
279.08743	0.7
291.08667	1.8
295.08215	1.0
305.06577	22.0
309.09680	1.0
323.07358	3.8
325.09158	1.2
327.10419	1.0
401.14105	7.0
401.24060	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	401.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
53.64470	0.8
54.18881	0.8
56.96296	1.2
56.96565	20.0
57.03430	1.0
60.04502	0.9
69.03422	1.9
70.02136	4.2
70.06587	1.5
74.06073	1.1
81.03431	1.3
84.04472	0.7
84.96032	8.0
85.02908	5.4
95.04980	1.7
97.02879	3.3
97.96804	0.9
98.96929	1.9
98.97584	38.2
102.97052	2.2
107.04983	1.1
109.02872	1.4
110.97564	11.4
111.04431	0.8
112.99157	1.3
115.97779	0.8
116.98625	33.5
123.04443	3.7
127.03913	1.6
128.98607	23.7
131.00182	4.2
132.04449	10.0
134.99664	20.0
136.06149	2.3
137.02299	1.0
139.03946	1.6
140.00208	1.7
140.98589	1.5
143.00162	2.5
144.98097	1.3
146.98477	1.6
146.99660	31.7
147.04329	1.1
148.03896	1.4
149.01227	4.0
150.57402	0.7
152.00217	1.0
153.00693	2.9
158.01234	1.2
158.99669	5.2
161.01257	8.6
162.99150	2.5
165.00731	5.9
170.01260	1.4
170.99625	3.2
177.00716	9.1
177.05495	1.1
179.00262	1.1
179.02280	2.7
180.06483	0.8
181.04971	7.2
181.98862	3.4
189.00725	8.3
195.01816	1.8
197.01215	3.6
199.99937	18.1
201.00618	4.1
207.01872	1.2
211.02882	0.9
215.02388	3.7
218.00999	7.4
219.01762	34.4
221.09387	0.8
225.02803	1.0
227.02223	0.9
229.00182	3.5
229.03833	1.7
233.03264	1.0
237.02824	100.0
238.03262	2.0
239.02168	1.4
239.10289	1.5
242.03329	3.2
247.01488	1.0
255.03830	9.6
257.03275	3.7
260.00101	3.8
260.04468	5.9
269.03354	2.0
278.00974	5.7
278.05640	0.9
281.03381	2.1
293.03293	3.7
299.04333	2.3
311.04437	1.0
323.04297	1.0
326.03131	3.9
341.05411	9.3
344.04178	2.9
359.06497	50.6
360.06757	1.3
376.51923	0.9
377.07458	5.1
382.08102	5.8
400.08859	1.1
401.07608	16.2
401.12601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01880	1.9
55.05502	3.2
56.96549	2.9
57.03429	2.0
59.16031	0.7
61.02914	2.4
65.03931	1.3
67.05476	1.0
69.03434	7.9
70.06593	5.1
70.64417	0.9
71.04993	1.7
71.59861	1.1
72.08167	3.9
73.02927	1.0
73.06543	1.4
74.44957	0.7
78.65140	0.7
79.05499	2.6
81.03423	4.2
82.06562	1.5
83.04967	0.9
85.02425	1.4
85.02907	17.0
86.06073	2.1
87.04474	1.8
89.03918	2.8
91.05473	3.6
93.07015	1.3
95.01327	1.1
95.04962	2.2
97.02892	6.9
98.20695	0.7
98.97576	3.1
99.04483	1.1
103.05495	3.9
105.07036	3.4
107.04950	4.8
109.02873	2.1
110.07170	1.0
111.04413	1.6
115.05424	1.3
116.98615	1.5
117.03359	2.6
117.07009	4.5
118.06551	0.9
119.05003	4.4
120.08113	37.1
121.08380	0.8
123.00775	2.3
123.04429	2.6
124.07655	0.8
126.03780	3.5
127.03912	3.7
129.06966	2.2
131.04924	3.2
132.04446	1.6
132.08052	0.9
133.06482	1.3
134.74104	0.7
134.99716	0.9
135.04434	5.9
137.02306	1.1
137.05975	1.2
139.03859	1.0
141.01852	4.7
142.07800	0.9
145.02879	3.8
145.04900	2.6
147.04428	15.8
149.06004	1.8
153.01886	0.9
153.05473	0.8
157.12190	1.2
158.99634	0.9
161.05954	1.0
163.03923	28.7
164.04262	2.6
166.08652	3.5
167.07043	3.0
171.06488	0.9
174.12801	34.5
175.13153	1.2
177.00728	1.2
177.05434	2.6
181.04964	22.5
192.13835	29.9
193.08412	1.6
205.05051	0.8
209.08150	2.1
215.08173	1.2
220.09914	1.2
220.13353	12.1
221.08093	0.9
221.13647	1.1
225.07875	1.2
231.08902	0.9
237.02789	1.1
238.14389	100.0
239.14717	4.4
249.07611	1.0
267.08984	1.3
279.03906	0.8
305.06580	4.1
325.13245	3.3
330.45306	0.9
343.14160	1.6
400.19724	14.3
401.14056	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	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43301	3.9
53.03930	5.7
55.01875	48.3
55.05508	42.7
57.03443	57.2
57.07071	5.9
65.03947	4.3
67.05180	4.9
67.05508	65.2
69.03412	13.6
69.07078	45.7
69.38989	4.0
71.04985	6.3
71.08630	12.8
71.15497	8.0
73.02927	20.1
79.05499	29.4
81.03404	13.9
81.07059	56.7
83.04986	30.5
83.08616	21.6
91.05491	24.1
93.07043	35.8
95.04979	22.2
95.08619	30.6
96.05768	5.8
97.02891	4.8
97.06516	12.4
97.10184	21.7
99.04486	4.5
101.06017	14.2
105.07040	20.7
107.04945	10.5
107.08604	27.2
109.06527	18.4
109.10156	31.5
111.04468	6.5
111.08089	8.9
116.04720	33.3
117.06995	7.4
119.08579	23.9
121.10136	23.2
123.04396	6.7
123.08070	12.5
123.11671	7.1
125.05965	5.7
125.09636	22.7
129.05486	100.0
129.06973	7.1
131.08595	10.9
133.10114	14.4
135.08078	9.5
135.11690	13.7
137.05972	12.6
137.09631	22.8
137.13239	5.0
143.07082	25.3
143.08665	5.7
145.10127	6.2
147.06546	10.5
147.08070	6.7
147.11713	9.5
149.09666	5.3
155.10712	6.4
157.08617	48.0
157.09898	7.4
159.11673	11.0
163.03830	4.9
163.11156	8.2
165.09158	5.4
167.07024	10.9
169.41745	4.4
171.10149	16.7
171.11504	5.1
173.09642	4.9
173.13165	6.2
177.12682	8.5
177.45810	4.4
181.04965	7.6
189.11224	18.8
191.07007	8.9
193.12212	6.3
197.05875	4.2
200.14087	10.9
221.11726	22.3
229.14352	5.0
239.12779	15.3
273.18503	12.7
295.15353	8.7
297.00244	4.4
309.15530	5.5
309.65308	5.3
351.36551	5.3
399.14395	12.8
399.23807	64.2
399.32516	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	399.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98045	1.4
53.03935	3.3
55.01632	2.4
55.01874	41.0
55.05515	30.7
57.03439	51.3
57.07064	3.7
59.05876	1.3
60.02136	1.3
61.02900	5.2
62.60837	1.1
65.03925	3.9
66.93094	1.3
67.05505	42.2
69.03429	10.4
69.06728	2.0
69.07070	30.2
70.06567	3.7
71.04975	4.7
71.08607	4.6
71.60835	1.9
73.02921	20.5
79.05078	1.5
79.05495	27.4
80.06248	1.8
81.03423	8.6
81.07063	37.4
82.04204	1.3
83.04990	25.8
83.08617	10.4
84.08123	1.2
85.02889	4.7
85.06525	4.0
87.04460	2.0
91.05484	21.5
92.06298	1.4
93.07040	33.0
94.04165	1.6
95.04961	18.1
95.08605	21.2
96.05723	5.4
97.02872	5.5
97.06536	13.9
97.10174	15.9
98.07305	3.6
99.08091	2.5
101.06006	6.9
105.07037	16.6
107.04963	7.6
107.08603	21.5
109.02853	4.5
109.06532	15.7
109.10162	23.8
111.04429	4.9
111.08047	4.4
114.10284	3.5
115.05413	1.9
115.07549	3.9
116.04711	34.1
117.07014	4.8
119.04924	1.8
119.08591	16.8
120.09334	1.6
121.06491	3.8
121.10163	9.4
123.04382	5.5
123.08075	6.9
123.11691	4.0
125.06004	1.6
125.09658	16.8
129.05482	100.0
129.07007	5.2
131.08569	9.0
133.06488	2.8
133.10136	10.6
135.08078	7.8
135.11691	8.6
137.05946	5.3
137.09621	26.0
138.10490	2.4
139.07501	1.7
143.07037	24.0
143.08519	2.4
145.10109	7.0
147.04324	1.3
147.06485	3.7
147.07997	3.2
147.11687	7.7
149.05977	1.7
149.09604	5.2
149.13200	2.1
151.03914	1.4
151.07529	3.6
151.11217	2.6
151.79597	1.3
153.05367	1.4
153.09077	1.8
153.12671	1.5
155.10672	9.0
157.08618	54.3
157.09985	4.2
159.08002	2.1
159.11679	5.5
161.09578	4.1
161.13237	3.8
163.11151	5.5
165.09103	1.5
165.12735	4.4
167.07047	3.5
167.10670	2.3
171.10144	15.1
171.11635	3.2
173.09581	2.4
173.11758	2.7
173.13206	2.7
175.11194	4.6
177.05424	2.6
177.12724	3.9
180.11435	2.1
181.04944	1.6
185.11598	2.8
189.11247	12.9
189.12759	2.2
191.10654	1.4
193.12196	5.3
197.08604	1.5
199.13326	1.9
200.14032	10.1
201.16396	3.4
203.10602	2.1
203.14116	1.9
209.11693	1.4
219.17560	3.2
221.11716	18.8
223.13293	2.1
226.11984	2.4
227.12682	2.3
233.04439	1.7
237.18423	3.3
239.12766	17.2
245.18932	3.0
255.17622	1.9
262.19348	1.6
263.20139	1.8
267.15991	1.7
273.18481	7.8
289.17831	2.4
290.18719	1.8
291.19492	4.2
295.15323	6.7
299.20233	2.0
306.44391	1.4
313.16379	3.4
365.23090	5.3
399.14786	2.2
399.23593	55.9
399.32391	6.1
400.23767	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.4
56.96555	2.4
57.03437	1.6
57.07073	1.3
65.03942	1.2
69.03421	2.8
70.06574	1.9
71.08622	2.2
71.50563	1.5
72.08138	1.1
81.03400	1.3
83.04990	1.7
84.04505	1.1
85.02886	5.2
85.10199	1.8
88.55022	1.0
95.04937	1.2
97.02886	3.3
98.97602	5.2
101.06001	1.8
105.07069	1.3
109.02904	1.4
111.04413	1.4
116.98602	4.6
119.08614	0.9
123.03767	0.8
123.04443	7.5
127.03893	1.2
129.05461	2.6
132.04477	8.3
133.04846	1.5
133.06499	1.5
133.98604	0.9
134.99666	1.8
136.06197	28.3
139.03830	1.3
145.04936	1.9
146.99681	1.2
147.06563	1.6
148.03900	1.7
150.60690	1.0
158.99690	2.0
161.05981	2.3
173.02908	0.9
177.00745	3.6
219.01799	3.4
237.02879	2.7
237.08661	1.6
243.56738	1.2
250.09311	2.0
260.04425	0.9
266.05673	1.1
268.10468	1.6
279.03665	1.2
321.08682	1.0
330.12030	1.0
348.10333	0.9
363.09695	1.2
399.12650	100.0
400.12881	4.8
401.55441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97107	1.5
53.03949	1.6
55.01877	3.9
55.05507	2.6
56.96574	3.7
57.07064	2.2
57.15044	1.5
57.60620	1.7
67.05523	1.7
68.93557	1.3
69.03427	3.3
70.06599	6.6
70.94242	4.5
71.08635	5.2
72.08137	1.4
73.02917	1.7
75.24222	1.4
79.05487	7.4
83.04984	3.7
85.02891	8.3
85.10210	1.6
89.03944	1.7
91.05495	4.3
92.69623	1.6
92.86256	1.5
95.01331	2.9
95.04972	4.3
97.02909	3.8
98.20792	1.5
98.97573	7.6
101.06027	4.3
103.05492	6.6
105.07040	52.9
106.07392	1.9
107.04957	2.0
109.02930	1.9
111.04457	4.1
114.10294	3.5
115.05454	13.5
116.98640	5.5
117.07048	4.5
118.04154	4.8
123.04433	11.1
127.03938	3.0
128.98622	1.8
129.05472	4.7
129.06984	1.6
131.04950	3.7
132.04431	7.6
133.04950	2.2
133.06503	54.7
134.99670	3.9
137.05983	3.3
139.03922	3.8
141.06895	1.9
143.04892	2.2
143.06029	3.8
144.05719	2.7
145.06477	4.0
146.99672	2.7
147.04390	2.9
147.06577	2.5
149.05986	2.1
154.40001	1.6
156.05612	1.7
157.06532	2.1
159.04562	1.7
161.05989	100.0
162.06439	2.9
163.03966	4.7
165.05557	3.0
167.03546	1.5
167.07065	11.0
171.04370	2.1
172.05331	1.9
173.06009	3.9
175.07594	2.3
177.00751	4.2
181.04999	4.6
187.07600	4.1
189.05510	4.7
191.07123	4.2
192.13913	3.2
193.08635	70.4
194.09088	2.0
197.08122	10.3
198.83607	1.7
200.04900	1.9
201.05472	2.4
203.06990	2.9
205.08699	1.7
217.05049	2.2
217.08652	4.4
219.01848	2.7
219.06593	6.5
220.13200	1.8
221.08109	3.8
229.04951	2.4
231.06477	10.7
233.08066	7.4
237.02812	3.0
238.14445	6.3
245.08073	2.4
247.05963	2.6
249.07692	1.9
257.04675	1.7
259.06039	4.5
261.07602	8.1
263.09222	2.2
273.07617	6.5
275.09171	4.3
277.22626	1.7
289.07025	6.3
291.08783	2.6
301.07123	10.3
303.08636	3.3
319.08017	11.8
320.08099	1.9
321.09824	3.1
339.07312	3.8
367.10400	3.2
399.09244	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	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
56.96554	2.3
57.03432	0.7
57.07072	1.0
58.14927	0.6
59.04992	0.9
61.02918	0.9
69.03423	2.9
70.06575	1.6
71.05030	0.5
71.08634	1.5
71.57943	0.8
71.58337	0.7
73.02888	0.7
81.03407	0.9
83.04958	0.9
85.02905	6.1
85.10178	0.9
87.44305	0.6
95.04977	2.8
97.02886	5.7
98.97578	6.4
101.06019	1.2
101.07128	0.7
102.05496	0.7
107.04973	1.0
109.02866	0.8
110.06044	1.1
111.04418	1.5
112.08865	0.7
116.98620	4.3
119.01913	1.5
123.04426	6.7
127.03897	1.7
128.98627	1.1
129.05510	1.4
130.08574	1.0
132.04445	12.3
133.04822	1.0
134.99663	2.6
136.06180	4.3
137.02310	4.2
137.05994	1.0
139.03827	0.8
143.00183	0.8
143.01936	1.3
145.05005	0.9
146.06013	4.3
146.99599	1.2
147.04480	1.1
147.06529	1.4
148.03989	3.1
149.01283	0.7
158.99698	2.8
160.07637	1.0
161.01303	1.0
161.02963	2.0
161.04562	0.6
161.05936	1.0
164.05179	1.1
166.05048	0.8
173.07149	3.7
174.05539	2.3
177.00703	4.4
185.07277	0.7
190.05080	0.7
191.08130	1.5
195.01636	1.3
201.06580	0.8
219.01691	3.4
219.07692	5.7
221.05058	0.8
227.06689	1.0
227.56969	0.7
232.08290	0.7
233.09279	1.0
237.02711	4.5
237.08769	3.6
243.07962	1.8
244.04285	1.0
250.09334	2.9
251.04184	0.8
255.03822	0.9
261.08847	1.3
268.10345	1.3
269.05276	0.7
279.03860	1.1
279.09750	2.2
297.04599	0.7
309.08588	1.9
339.72818	0.7
351.09738	0.8
357.06320	0.8
363.12411	0.8
381.12274	2.0
399.12650	100.0
400.12997	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	398.2695
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
55.01881	1.2
55.05503	3.1
57.03437	0.8
57.07079	1.1
59.05010	1.3
61.02926	0.8
67.05516	5.0
68.05030	1.9
69.03429	3.2
69.07085	4.0
70.06593	14.9
71.04988	1.0
71.59944	1.0
76.02493	0.8
79.05497	7.3
81.03386	0.9
81.07056	9.6
83.04978	1.4
83.08643	1.3
85.02901	2.2
85.06522	1.2
91.05482	6.2
93.07048	11.3
94.06576	2.1
95.04977	3.6
95.08624	5.8
96.08117	3.4
97.02914	0.9
97.06529	0.7
97.10177	1.2
98.06056	1.1
98.97569	0.9
100.07632	4.7
105.07024	11.1
107.04964	1.4
107.08600	8.5
108.08115	1.4
108.08884	0.8
109.06519	0.9
109.10146	4.0
111.04478	0.9
114.05544	3.6
114.10294	1.4
115.05461	1.4
116.07098	6.2
117.07029	3.0
119.04987	0.8
119.08582	14.9
120.08119	3.1
120.08904	0.8
121.06523	0.8
121.10159	4.1
122.09662	2.4
123.08107	1.3
123.11729	1.3
128.06244	0.9
128.07086	4.4
129.05453	1.0
129.07014	2.0
130.06525	0.9
130.07765	1.2
131.08559	6.9
133.10097	4.6
134.09621	1.0
135.08067	2.9
135.11703	1.2
136.11218	1.0
137.05981	1.0
142.07793	2.0
143.08554	5.1
144.09283	2.1
145.10118	8.6
146.04936	0.7
147.08157	1.1
147.11707	3.7
148.11215	5.4
149.09599	0.8
150.12759	0.9
151.06305	1.2
154.08633	2.3
155.08553	2.0
156.09309	1.6
157.10124	3.9
158.10956	0.7
159.08083	1.2
159.11667	4.0
159.29666	0.7
160.11195	1.1
160.39114	0.7
161.13208	1.2
163.11183	1.2
164.07068	0.8
166.08678	1.9
167.07126	1.0
167.08664	1.0
168.10223	19.0
169.10136	1.8
171.11678	2.4
173.13214	4.3
175.14885	2.6
178.08626	4.9
179.08635	0.9
181.05099	0.9
181.10208	1.3
182.11069	0.8
183.11714	2.6
185.13263	2.3
187.14854	1.5
188.14363	0.9
189.12675	1.0
192.10193	2.5
194.11821	11.3
195.11778	1.6
197.13287	1.4
199.14803	1.0
201.12683	0.8
203.07005	1.4
206.11772	1.3
209.13284	2.3
219.17392	1.0
231.06558	3.0
232.13280	0.8
237.18556	1.0
250.51993	0.7
253.15884	0.9
260.16415	2.4
265.19708	0.8
289.18079	0.8
306.20721	3.5
380.25751	6.7
381.22470	1.0
398.26920	100.0
399.14670	1.1
399.22916	1.1
399.27472	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	398.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01880	1.7
56.96567	8.7
69.03442	7.9
69.07076	1.9
70.06586	5.8
71.60139	2.4
73.02900	3.4
73.93995	1.4
75.09587	1.4
81.03403	5.4
83.04949	1.6
84.04493	1.8
84.08144	2.7
85.02911	10.0
86.09712	3.2
87.04471	1.7
87.05627	1.6
95.04988	7.2
97.02904	8.9
98.87208	1.3
98.97607	13.8
99.04459	1.6
101.00825	1.4
105.04494	1.8
109.02911	2.9
111.03674	1.6
111.04440	4.8
115.03946	2.0
116.07085	3.3
116.98639	10.1
119.01903	4.8
123.04440	23.1
124.69312	1.4
125.83051	1.6
127.03918	4.2
127.09176	1.3
128.98633	2.7
129.89537	1.5
131.01907	1.8
131.96214	1.5
132.04465	49.0
133.02771	2.0
133.04810	4.0
134.99664	5.2
136.06154	1.5
136.07681	2.0
137.02315	18.5
137.05989	3.0
139.03963	3.4
143.01892	2.0
146.99669	3.6
147.01376	3.3
147.04408	3.6
148.03842	7.7
153.05511	6.5
155.01993	1.7
155.04642	6.0
158.63931	1.5
158.99677	5.8
161.01247	2.5
161.02969	6.5
163.03914	3.0
164.05249	1.6
165.34123	1.4
177.00681	8.6
189.00722	2.3
193.04694	2.4
195.01474	6.1
196.06033	4.8
200.03207	1.8
203.05371	6.9
204.02773	2.6
208.95377	1.5
213.02428	3.5
218.04269	92.2
219.01704	9.0
219.04829	3.4
226.05846	2.0
231.01402	1.7
234.98975	1.7
236.07399	2.1
237.02631	17.5
242.05309	2.9
244.04393	5.5
251.04134	2.4
255.03812	2.1
264.97174	1.5
269.05243	1.8
272.10297	2.6
279.03595	3.3
291.07355	1.7
296.06143	2.1
297.04581	1.8
309.08588	4.9
321.04672	2.0
351.09421	2.5
381.10669	2.6
398.10602	100.0
399.12674	34.5
410.07745	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48934	15.9
67.05521	18.6
71.58357	29.5
73.04265	14.5
79.05557	23.9
81.07063	34.4
85.33280	15.8
87.97807	16.9
90.92277	14.7
93.07063	18.9
95.08604	36.0
122.59943	16.5
133.10097	25.2
147.11725	39.7
161.13298	31.5
242.14926	18.3
251.57172	20.0
262.37054	15.5
294.31750	15.3
387.50281	17.1
397.38358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01864	2.3
55.05509	3.4
57.03439	9.8
59.04985	4.8
61.02908	3.6
65.03934	1.4
67.05506	3.1
69.03432	9.6
69.07059	1.6
70.06582	3.7
70.20594	6.2
71.05000	29.7
72.08138	1.4
73.02912	3.9
75.04484	9.8
79.05483	2.9
81.03402	6.2
81.07012	2.3
83.04966	5.9
85.02910	100.0
86.03239	2.0
86.09703	5.2
87.04472	9.5
91.03957	1.9
91.05454	7.8
93.07021	2.5
95.04949	4.1
97.02881	11.8
98.97559	2.5
99.04449	3.3
103.03924	2.0
103.05448	2.4
105.03391	3.1
105.05514	3.6
105.07015	4.7
107.04935	4.5
107.08596	1.8
109.02887	6.3
111.04445	3.7
116.98600	2.3
117.07046	1.5
119.04955	6.2
119.08572	1.8
121.06495	1.9
121.10145	1.6
122.03622	3.3
127.03916	11.0
129.05478	25.7
129.07010	4.2
131.08591	3.2
132.04468	2.4
137.05986	48.8
138.06387	1.4
144.05739	2.1
145.04958	13.7
145.06560	1.5
147.04454	2.2
147.06535	14.1
149.05989	3.9
150.05516	2.6
150.09013	1.6
151.07544	5.3
151.11197	1.5
155.08533	2.3
157.06435	1.9
157.10249	1.5
159.08032	3.6
161.05980	5.7
161.09637	1.5
163.05998	4.4
163.07492	2.5
167.08565	1.9
171.08025	2.8
172.08821	2.3
173.09569	2.0
174.00127	1.4
174.05524	13.1
175.07576	3.8
177.00795	1.7
177.05298	1.5
178.08560	1.5
179.07057	2.1
182.07346	3.1
183.08064	2.2
184.08827	2.4
185.09615	6.3
187.07581	3.4
187.11131	1.8
191.07027	3.6
195.08102	2.1
197.09618	4.7
198.06729	7.5
199.07521	5.6
200.08420	1.9
201.09056	3.4
211.07550	1.7
213.09135	14.3
215.08818	1.7
215.10745	3.7
217.08522	2.0
219.01599	1.9
225.09123	4.6
231.08253	1.7
235.09518	2.7
237.02945	2.9
243.10220	8.3
245.11978	1.8
249.09370	2.6
250.89922	1.5
255.10304	2.9
256.15445	3.2
261.09192	2.5
273.08652	2.5
273.11273	28.2
274.11752	2.1
275.10226	1.7
276.07758	2.2
277.08725	4.0
277.11923	1.8
288.07562	1.5
291.10138	4.4
292.07443	1.6
293.11566	2.3
301.08444	2.5
303.10107	2.5
304.10727	2.6
305.11829	2.3
307.09781	7.1
308.10355	3.1
309.11652	1.9
317.11707	2.0
319.09598	2.2
321.11078	2.8
331.09998	1.9
333.11078	3.4
334.11807	1.9
335.12845	3.2
336.13031	2.1
339.12241	2.6
349.14279	2.8
351.12268	7.3
354.14658	11.2
367.15604	2.7
379.15350	7.3
380.13232	2.7
397.11404	3.3
397.16449	62.5
398.17017	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69106	1.1
55.01859	1.1
56.96558	1.7
57.03434	1.6
62.23817	1.1
70.06591	1.6
71.04988	1.4
71.57700	1.2
71.58035	1.3
72.68822	1.0
73.02909	1.0
78.18011	1.0
81.03410	1.9
85.02894	2.1
85.07667	3.4
95.01443	1.0
95.04990	1.9
98.97592	1.9
109.02890	1.8
111.04438	1.1
123.04414	5.1
127.03913	1.8
129.40945	1.0
132.04454	10.7
142.96341	1.1
157.12228	1.1
163.02661	1.4
177.00766	2.3
190.47847	1.0
219.01915	1.2
234.99039	1.7
235.02969	1.6
235.05626	1.5
237.02774	1.2
253.03856	2.8
397.11087	100.0
398.11200	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01870	5.1
55.05262	3.3
55.05515	43.3
56.98074	1.7
57.03435	5.4
58.33233	1.9
59.04989	6.2
69.03430	3.6
70.06590	4.1
71.01347	2.4
71.04980	2.2
72.08189	2.0
81.03394	2.6
81.07075	2.5
83.04985	56.7
84.04520	3.2
85.02901	21.0
86.09703	3.8
86.93140	1.8
91.05492	9.8
93.07047	4.6
95.04965	2.7
95.08607	3.0
97.02873	5.1
98.97574	2.9
101.06042	2.7
102.79244	1.9
103.03967	2.9
103.05477	5.9
105.07042	4.8
107.04982	7.6
107.08650	2.5
111.04428	4.6
115.03869	2.0
116.98601	2.8
117.07017	5.9
119.04924	4.5
121.06508	5.2
121.10156	2.5
125.00032	3.9
125.06053	2.2
127.00642	2.0
127.03912	3.2
129.06952	2.9
131.04893	5.9
131.08527	2.1
135.04414	4.5
135.11717	2.1
136.06137	2.2
137.06004	2.8
137.74135	1.9
143.07040	26.1
145.04974	24.4
145.06493	6.9
147.04410	12.5
149.05981	8.1
154.02650	4.5
155.04956	2.3
161.06018	4.2
163.03909	6.1
164.04706	3.9
169.04916	9.5
172.05286	2.9
173.05988	6.8
175.03862	2.9
175.07660	2.6
177.05505	19.3
179.07043	4.1
180.04117	2.7
183.06602	4.8
184.07324	11.7
185.08015	9.6
187.04100	2.0
189.05313	2.9
189.07806	2.0
190.06252	5.8
191.07047	5.7
192.04219	5.7
195.06546	8.8
200.04691	4.1
201.05515	10.1
203.03479	5.4
205.04980	6.1
205.08638	2.2
207.06540	27.5
209.04538	4.3
209.08128	10.2
218.05721	3.9
219.06554	6.2
221.08218	2.7
222.05173	2.2
228.04103	2.3
229.05017	5.6
231.02844	2.6
233.08107	23.7
235.06042	7.2
235.09654	2.6
237.07550	22.9
246.05183	3.3
247.06061	8.7
251.09187	4.0
261.07608	69.3
262.08069	2.4
264.06345	4.0
279.08646	100.0
280.09100	4.2
282.18921	1.9
297.09808	4.6
379.13950	3.0
397.14670	2.7
415.13040	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	397.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
65.03940	2.2
67.05489	4.0
68.99773	8.5
69.03423	5.6
70.06583	8.4
71.04988	2.9
71.59895	2.0
79.05482	3.8
81.03416	4.9
81.07052	6.1
83.04973	2.0
85.02901	7.2
86.09713	3.0
87.53456	2.2
91.05476	4.5
93.07035	4.2
95.04968	3.8
95.08585	3.8
97.02882	6.7
105.07044	5.4
107.04948	2.6
107.08588	4.2
109.02860	2.8
111.00802	23.1
111.04414	4.5
112.26853	1.9
114.10273	2.7
115.05444	3.2
117.07011	5.1
119.08604	4.5
120.08144	2.9
121.02874	2.9
121.10138	2.6
123.04432	19.8
127.03946	4.0
128.06207	6.8
129.07021	14.2
133.06487	3.6
134.99602	2.2
137.05997	18.5
139.03909	45.3
139.05452	2.8
140.04248	2.4
141.07050	2.8
145.02744	2.4
145.06459	6.7
147.04399	3.0
147.08078	3.1
149.02365	2.8
151.03862	12.7
151.07516	2.6
155.04935	6.9
157.06520	22.9
161.05974	7.4
161.13223	2.3
162.12785	3.4
163.03914	25.0
167.05006	2.9
169.06509	3.4
173.06007	13.7
174.06744	2.5
175.03990	3.6
175.07536	13.2
176.04677	2.6
177.05447	7.0
183.04437	7.9
184.05199	4.8
185.05975	30.5
187.03836	2.0
189.05475	9.2
191.03448	2.5
191.06909	2.2
193.08516	2.7
197.05991	8.3
198.03070	2.2
198.06664	2.8
199.03922	6.0
199.14832	2.4
201.05466	29.4
202.06239	20.4
203.07007	30.9
203.08617	1.9
213.05504	38.6
213.09102	3.9
215.03442	18.6
216.04063	4.0
217.04881	5.7
218.11826	4.7
219.06485	2.2
221.06050	4.7
223.07626	10.7
225.05472	13.9
229.05008	14.0
230.05701	5.8
231.06506	53.8
233.04439	3.9
235.09541	2.8
235.13062	3.7
236.12906	3.1
237.05283	2.2
237.09261	2.3
239.07121	3.2
241.04903	10.7
243.10167	4.5
249.05499	3.6
251.06960	7.8
253.04980	13.2
259.05997	100.0
260.06436	4.3
263.07126	6.2
265.05045	3.3
267.06479	11.9
269.08112	90.4
270.08405	3.4
273.11246	8.0
277.08551	3.7
287.07053	8.6
291.06610	5.5
293.04410	5.9
293.07834	3.0
295.06067	16.7
305.08276	10.2
309.07556	3.0
315.06546	5.8
319.05972	4.0
332.70660	2.3
333.07480	26.1
335.05469	3.2
337.07184	2.6
343.05975	3.4
347.17383	2.4
348.84418	2.0
351.05066	4.2
351.08704	17.2
361.07043	30.6
362.07321	2.3
379.08173	73.5
379.15460	4.6
380.08453	5.5
397.09048	9.8
397.17825	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	396.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.8
56.24710	2.5
57.07078	54.3
59.04996	16.7
67.05486	3.1
69.07059	6.3
71.08634	100.0
71.59245	3.5
71.59656	2.6
73.78324	2.4
81.03412	7.3
81.07072	4.9
85.10189	51.5
87.49297	2.5
89.06029	41.6
91.05482	4.6
92.38220	3.0
93.07020	3.5
95.08623	4.0
109.10158	2.9
121.10125	3.4
123.08067	2.2
123.10011	2.2
127.03909	6.4
127.14840	9.2
130.08623	2.6
133.08621	18.2
139.03844	2.3
167.41013	2.7
177.11230	23.6
185.19038	13.8
186.05492	3.1
195.12314	20.6
212.07079	2.9
224.07060	6.4
229.21613	2.5
235.15385	3.1
239.14874	10.4
378.17065	3.6
379.30579	19.6
396.18039	10.4
396.34573	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	397.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.05508	2.7
55.88958	1.2
56.96566	1.7
57.79240	1.5
65.03935	3.0
67.05502	4.3
68.99799	9.9
69.03427	4.1
69.07064	3.6
69.96610	7.6
70.06583	3.9
72.08155	2.9
79.05487	2.5
81.03426	1.7
81.07049	3.5
83.04973	1.2
85.02907	4.0
91.05481	5.5
93.03363	1.6
95.04971	3.2
96.36965	1.7
97.02923	3.2
98.97548	1.2
99.04433	1.6
105.07034	3.3
107.04970	2.2
107.08596	2.9
109.02883	1.9
109.06529	1.6
109.10159	2.0
109.70305	1.2
111.00809	25.6
111.04430	3.5
112.08731	1.2
115.05479	4.1
117.07056	2.3
119.08610	3.0
120.08089	3.3
121.02863	2.7
123.04445	14.4
127.03944	2.9
128.06216	5.0
129.07018	15.5
130.43883	1.3
131.04980	3.3
131.08597	2.4
133.06512	1.3
133.10170	1.7
135.04369	2.1
137.02347	1.3
137.05959	17.7
139.03908	45.6
139.05447	2.0
141.07008	1.9
143.04890	2.5
145.02835	3.2
145.06491	4.7
147.04398	3.0
147.08084	3.0
149.02367	2.0
151.03899	10.1
151.07526	2.1
153.05435	2.2
155.04936	4.6
157.06493	22.9
158.61217	1.2
159.04510	2.0
159.08086	1.6
160.05258	3.2
161.06023	6.9
161.09598	2.2
162.12717	2.2
163.03917	20.7
167.04893	2.8
169.06508	3.5
171.04468	1.7
173.05997	13.1
175.03967	3.7
175.07545	11.4
175.59492	1.2
176.04646	2.0
177.05447	5.1
179.03387	1.8
179.07018	3.2
181.06465	2.2
183.04459	7.0
184.05188	4.1
185.05986	39.8
186.06361	1.7
187.03912	2.7
187.07538	2.5
189.05481	5.7
189.09027	1.3
191.03416	3.3
193.08627	1.5
195.04437	1.9
195.08170	2.1
197.06058	9.2
197.09659	1.8
198.03185	2.3
198.06699	2.2
199.03940	5.5
199.07507	2.0
200.04655	1.9
201.05495	31.8
201.07396	1.5
202.06236	16.0
203.07027	27.6
203.08772	2.3
204.07387	1.2
205.04813	1.7
211.03999	2.8
211.07545	3.2
213.05487	34.3
213.08986	3.0
214.05966	1.5
215.03400	21.0
216.04062	3.4
216.71359	1.3
217.04932	4.9
217.08435	1.8
217.15839	2.6
221.06012	5.9
223.03995	1.5
223.07561	7.6
225.05446	18.9
229.04953	14.6
230.05751	3.8
231.06497	56.9
232.06905	2.8
234.06660	2.0
235.03874	2.2
235.07489	1.8
235.13165	3.5
235.17033	2.6
236.12819	2.6
237.05534	2.1
239.07080	4.7
241.04980	14.2
242.05380	1.4
243.06378	1.7
243.10330	1.7
247.05882	2.1
249.05557	4.2
250.06223	1.3
251.07033	6.0
253.04961	12.7
254.05806	2.0
259.05991	100.0
260.06232	2.8
263.07037	5.7
265.05057	2.5
267.06500	11.3
269.08102	83.9
270.08533	3.5
273.11359	6.4
277.08524	2.8
287.07101	6.5
291.06497	4.1
293.04630	6.1
293.07687	1.8
295.06033	16.6
304.07159	1.4
305.08044	9.3
307.06094	2.7
309.04108	1.6
309.07483	2.7
315.06491	5.2
319.05963	3.9
323.09103	2.6
333.07581	28.4
334.08243	1.7
335.05505	5.0
337.07028	5.0
343.06046	4.8
351.04956	3.0
351.08704	18.8
352.08990	2.0
354.14639	2.1
355.84915	1.3
361.07086	29.1
379.08139	85.0
380.08441	5.0
397.09076	9.2
397.18561	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
54.25719	1.8
55.71057	2.2
56.05021	3.2
57.03416	2.9
59.06129	14.5
60.04525	2.0
61.02930	4.1
68.05024	5.0
69.03426	12.8
70.06596	14.0
70.37204	6.7
70.37537	2.1
71.01326	2.8
71.04991	3.9
72.04515	2.5
72.08148	2.8
73.02914	2.0
74.06039	2.2
79.05502	2.2
81.03409	7.6
82.06599	3.7
83.06101	4.0
84.04494	5.2
85.02910	28.2
85.07671	100.0
86.06068	3.9
87.04455	2.7
87.09210	6.8
90.05568	5.0
91.05479	3.9
93.07042	2.6
95.04942	6.3
96.04494	2.3
97.02885	18.0
98.03271	2.8
98.06054	2.8
103.05435	2.4
106.06543	1.9
107.04915	2.4
108.61436	2.2
109.02867	7.3
110.06006	3.1
111.04445	3.8
116.07037	2.1
119.01898	2.6
120.08081	3.8
121.01684	6.8
121.06499	4.5
123.04418	10.7
124.07595	2.5
127.03902	11.9
130.06520	4.4
132.04463	39.6
135.04369	2.0
136.03917	2.4
136.07561	7.9
137.02313	2.9
137.05922	1.7
138.05504	3.0
138.09155	4.6
139.03877	3.7
145.01662	8.4
145.04924	6.6
145.07648	6.4
145.09700	2.1
146.06009	5.0
147.03166	3.6
148.03854	2.8
148.07581	6.7
149.05983	3.4
150.05501	2.8
150.09145	3.5
152.07033	2.3
157.01665	3.6
157.07626	7.8
158.05959	4.6
159.03127	2.1
162.05421	2.3
162.09088	6.0
163.02673	23.8
171.05499	2.5
171.09187	3.1
173.07112	8.6
175.02754	3.9
175.08653	7.5
176.07097	4.6
178.07335	2.6
187.02701	3.4
191.08188	9.7
191.11813	3.6
199.05923	2.3
199.08615	16.5
205.03864	8.0
206.10100	2.2
207.11278	4.2
216.08707	2.3
216.11371	12.6
217.09752	13.9
234.08745	6.8
234.10199	2.5
234.12239	18.5
235.10760	7.7
247.04982	7.3
247.12912	10.7
248.05240	2.2
249.12344	2.0
261.04263	3.0
267.05576	2.9
275.99350	8.0
276.99973	4.7
378.17169	4.0
379.14923	7.2
396.11118	9.7
396.17877	39.3
397.10806	4.3
397.16080	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	396.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24837	3.0
55.01880	6.8
56.96569	2.6
57.03449	4.1
57.07081	8.6
60.04522	3.2
60.05639	3.1
65.00168	2.5
67.05501	4.2
69.03418	7.6
69.07069	8.0
70.02949	7.9
70.06599	5.2
71.04988	7.7
71.58250	3.2
72.04517	29.0
72.75657	2.7
73.02907	15.0
74.02464	3.0
81.03419	26.9
81.07050	3.8
83.04996	3.0
84.08176	3.3
85.02915	16.4
85.06535	9.3
85.07674	20.3
86.09715	2.8
87.04541	2.6
87.08119	3.9
90.05556	15.3
91.10227	2.7
92.79009	2.5
93.07043	4.0
95.04974	12.4
96.04514	3.0
97.02899	9.9
97.45995	2.4
98.02409	15.2
98.97585	5.3
99.04439	4.4
100.03974	6.7
104.07110	11.4
109.02887	29.4
111.03726	3.0
111.04441	6.5
113.06017	26.3
116.03452	24.4
116.98644	4.1
121.01682	7.5
123.04425	5.8
124.07611	15.2
126.05576	2.9
127.03942	17.1
131.07088	3.7
132.04440	15.9
132.10149	3.2
137.02316	3.3
139.03917	13.0
141.05423	5.4
142.08650	13.0
145.01636	3.2
145.05043	3.2
148.03931	19.9
160.09659	10.0
163.02737	10.4
163.03952	5.1
166.08679	3.2
174.11263	8.2
175.02646	3.4
175.11906	3.1
176.07083	10.4
177.00705	3.1
181.08591	3.3
184.09740	27.8
188.48763	2.7
199.09628	4.6
202.10748	100.0
204.06538	3.7
205.03740	5.0
219.08600	16.7
220.11839	6.8
222.07622	7.5
231.08647	66.8
234.98853	3.1
247.05177	4.8
248.11301	5.6
266.12399	17.6
275.99390	3.5
277.00089	5.0
285.23993	3.2
367.09995	3.5
378.17648	27.6
396.13223	7.7
396.18448	20.1
397.10995	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
56.05025	3.5
57.03431	1.2
57.07069	1.9
57.73211	0.9
60.04527	100.0
60.74629	0.9
67.05500	10.5
69.03433	0.9
69.07067	4.4
70.06580	1.7
71.08640	2.2
71.61105	1.5
72.04525	1.9
74.06081	8.2
79.05498	4.0
80.05021	3.0
80.53535	0.9
81.03430	1.5
81.07072	9.6
83.04949	1.1
83.08616	3.5
85.50717	0.9
90.05522	2.2
91.05489	4.2
93.07055	4.9
94.06494	1.1
95.04964	1.4
95.08611	8.4
95.13215	0.9
97.10162	2.1
98.98470	1.3
102.05550	1.3
105.07004	2.8
107.08595	3.1
109.06536	1.2
109.10176	3.7
110.58996	0.9
111.08120	0.9
119.08617	1.7
121.10120	3.0
123.11736	2.3
133.10143	2.2
135.11688	2.8
137.05998	9.1
140.01083	2.6
147.11641	1.5
157.90993	0.8
204.97791	1.0
219.21022	1.0
262.25330	3.8
280.26331	9.3
291.90454	0.9
298.27408	52.6
299.27722	2.6
396.25070	15.1
397.25119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92662	1.6
55.05513	16.2
57.07076	9.9
59.05002	3.9
65.48927	1.6
67.05509	21.6
69.03416	2.1
69.07072	18.8
70.69493	5.9
71.04990	5.0
71.08636	5.7
79.05505	2.2
81.07061	50.1
83.08627	24.0
85.02908	8.3
85.06547	9.7
90.47626	1.7
93.07037	2.4
95.08611	95.7
97.10178	15.4
99.08092	8.7
101.09670	7.5
101.62006	1.8
107.08605	1.9
109.10161	81.0
110.10542	2.3
123.11715	66.6
124.37029	1.7
127.03916	2.2
127.11192	2.7
137.13251	12.4
139.14853	1.9
141.12706	2.6
145.10120	1.8
147.04382	2.8
153.05486	1.8
179.17953	100.0
180.18307	3.1
197.19025	60.1
215.20079	67.2
216.20398	2.7
233.21097	28.2
337.03564	1.7
366.31079	1.5
395.20166	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	395.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
54.73174	0.8
55.05514	18.0
56.96564	1.2
57.07081	12.3
59.04998	3.5
62.26269	0.8
67.05168	1.6
67.05510	24.1
69.03429	3.6
69.07069	15.1
70.06593	2.4
70.20237	4.1
71.04999	6.8
71.08631	4.6
73.02891	1.2
73.94775	0.8
79.05491	4.7
80.73511	0.9
81.03423	2.0
81.07061	56.6
83.04980	0.8
83.08619	24.8
85.02915	10.3
85.06552	9.9
85.10178	1.6
87.08125	1.6
91.05505	1.9
93.07052	4.4
95.08613	100.0
96.08939	1.9
97.02897	3.8
97.10180	17.2
98.97604	3.8
99.08104	7.9
101.09680	9.0
105.07039	2.1
107.04953	1.7
107.08640	2.5
109.02876	1.2
109.06539	0.8
109.10163	91.6
110.10483	2.2
111.11758	1.9
113.09629	3.0
116.98647	2.4
119.08583	2.0
121.06504	0.9
121.10153	2.1
123.04449	2.8
123.11715	72.7
124.11987	1.1
125.05934	0.9
125.13300	1.3
127.03893	1.7
127.11176	5.3
131.08595	1.3
133.06541	1.3
133.10165	1.6
135.11649	1.3
137.05991	1.4
137.13264	14.0
139.11316	0.9
139.14787	1.5
141.12724	2.0
145.10141	1.2
147.04410	2.9
158.99675	1.8
167.07094	1.8
177.00688	2.6
179.17961	99.0
180.18292	3.5
197.19017	59.1
198.19366	1.7
207.09651	1.8
208.10400	3.4
215.20079	61.1
216.20465	1.6
217.05035	1.0
217.10927	2.0
219.01773	1.2
228.61700	1.4
232.13351	1.1
233.11707	1.1
233.21153	29.0
234.21448	1.4
237.02936	1.7
242.59872	1.0
243.02837	2.1
245.04480	1.2
248.01973	0.9
289.13153	1.8
395.20261	4.2
396.22803	1.4
415.20084	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	395.2044
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
55.05503	1.1
56.96560	2.4
58.33271	0.4
67.05486	1.2
69.03409	1.3
70.06578	0.9
70.39824	1.8
70.40196	0.7
71.04992	0.5
72.08153	0.7
81.03414	1.0
81.07021	1.2
84.96049	0.6
85.02877	1.1
91.05488	2.1
93.07035	1.0
95.04983	0.8
95.08627	0.9
98.97600	2.0
99.73077	0.4
103.12341	0.4
105.07036	1.0
106.47582	0.4
107.08586	1.3
107.22986	0.4
111.04417	0.5
112.08418	0.5
116.98643	2.3
119.08562	0.8
120.08103	0.9
121.10155	0.5
123.04414	0.7
127.03957	0.5
133.09999	0.7
134.99736	0.8
137.06007	0.7
137.69389	0.5
145.10155	0.7
146.99672	0.7
147.04370	0.5
157.09969	0.4
159.08037	0.5
161.01208	1.2
163.04083	0.5
163.07573	0.7
170.99637	0.5
173.09737	0.5
177.00763	0.6
177.05463	1.4
177.08958	0.5
179.14444	0.5
185.01186	0.5
189.00691	0.7
191.07272	0.4
203.02235	0.7
206.08124	0.9
213.00793	0.5
219.01741	1.8
229.00267	2.7
231.06491	0.8
233.15302	0.5
237.02782	2.3
263.61166	0.4
266.69031	0.4
295.01260	0.6
352.12024	0.5
355.03375	4.1
372.08954	0.6
373.04599	2.6
395.20416	100.0
396.05878	0.7
396.20813	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	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
56.23494	0.9
56.96562	1.8
57.03434	1.1
57.97562	1.0
59.63263	1.0
60.63278	1.0
61.02919	1.2
66.11940	1.1
69.03423	7.0
70.06583	2.7
70.35181	1.8
70.35577	2.1
72.54875	1.0
73.02899	1.1
81.03410	2.5
84.04472	1.4
84.08133	1.0
85.02914	14.4
91.05492	8.8
95.04968	3.3
97.02907	6.8
98.97589	7.3
101.00849	6.0
103.05486	1.5
107.04950	3.7
109.02903	2.0
110.97591	1.0
116.07153	1.2
116.98586	4.6
119.01928	27.7
119.04949	21.1
120.02016	1.8
121.06508	1.3
122.03651	1.7
123.04450	7.0
127.03916	3.0
128.98579	1.9
131.01933	5.1
132.04468	13.5
132.95822	0.9
133.03506	1.9
133.04906	1.1
134.99712	1.2
135.04367	2.6
137.02194	2.0
137.03029	3.2
137.05981	100.0
138.06375	1.7
139.03923	1.8
142.03362	1.4
143.01898	24.3
143.03041	1.4
144.02007	2.3
145.03571	5.4
145.04938	3.7
146.99710	1.3
147.04413	45.3
148.03906	1.6
149.05951	1.2
151.07549	1.6
152.08746	1.0
153.05492	3.4
155.01897	4.3
157.03459	1.3
158.99684	1.9
160.02267	1.3
161.02966	78.3
162.03172	6.2
163.03993	0.9
165.38368	1.1
166.05075	0.9
166.07178	1.2
167.06998	1.1
173.02975	6.5
175.04558	1.3
176.77698	1.0
177.00716	3.1
177.05499	4.6
179.07045	58.7
180.07372	1.9
181.03493	1.2
181.08568	2.4
184.04584	5.2
185.02937	4.0
187.04442	1.1
196.06108	1.1
197.02960	1.8
197.08113	22.0
198.08260	1.0
199.04556	5.0
203.04025	36.3
204.04219	3.5
208.04805	1.3
209.08138	2.9
221.05055	7.0
223.04474	3.0
235.04666	1.8
237.02850	2.8
241.05531	1.3
245.05087	13.3
246.05377	1.9
247.04533	1.2
249.06085	1.3
263.06161	7.3
265.05621	2.4
277.05795	1.8
286.07080	1.2
293.10629	1.5
294.47714	1.1
303.03003	1.0
307.06717	2.5
309.08502	2.6
312.54559	1.1
322.22360	1.0
325.07687	3.2
394.34494	1.2
395.09506	1.5
415.08871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97087	1.8
55.01879	3.6
55.05512	7.1
56.96573	1.7
67.05497	3.7
68.49097	1.7
68.80668	2.4
69.03419	5.5
69.07061	3.5
70.06588	6.9
71.04987	2.1
71.59533	2.3
71.59918	2.6
72.08160	31.5
73.97554	1.7
79.05471	2.5
80.68906	1.6
81.03412	2.9
81.07066	14.3
83.04996	2.2
84.04482	7.2
84.08131	2.8
85.02908	7.4
86.09713	4.5
91.05479	2.7
93.07022	5.3
95.04986	3.1
95.08611	5.4
97.02922	3.4
97.06533	3.5
99.04500	3.0
102.05562	4.5
105.07025	5.2
107.08614	2.4
109.02930	2.4
109.06503	5.9
109.10155	4.7
114.10270	4.3
119.08602	5.1
120.08134	11.8
121.06532	2.4
125.06007	13.7
127.03896	3.2
129.10345	2.3
131.08565	3.0
133.10126	5.1
137.05984	100.0
137.09618	10.1
143.11829	3.0
145.06458	2.2
151.03940	2.2
151.07637	2.1
155.10571	2.3
160.63724	2.0
161.09647	6.0
161.74361	1.8
166.08676	7.4
173.12898	8.5
179.10690	57.9
197.11754	86.0
201.12376	11.8
215.12827	4.4
229.11871	12.0
237.02882	2.8
240.08612	2.0
274.10803	2.6
277.11816	2.1
331.00525	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
56.96552	2.4
57.03433	2.2
60.04539	1.8
61.02940	1.9
61.41753	1.6
65.01762	1.5
69.03426	10.7
69.07078	1.5
70.06581	3.2
70.60258	1.5
71.60457	1.9
72.04492	1.6
73.02911	2.1
79.05486	4.3
79.51309	1.4
81.03433	3.0
83.05011	2.0
84.04514	1.7
84.08175	1.8
85.02911	23.1
87.04459	1.6
90.05558	3.0
91.05480	15.1
95.04949	4.8
97.02910	9.3
98.97568	3.7
101.00890	2.2
107.04963	8.0
109.02884	3.0
111.04462	1.7
115.47672	1.5
116.98646	3.3
119.01934	21.8
119.04954	41.6
120.02058	1.9
121.06528	4.5
123.04424	9.1
127.03953	8.8
127.78149	1.5
131.01938	5.3
131.04985	1.8
132.04468	13.9
135.04453	13.8
137.02986	6.4
137.05978	38.2
139.03992	1.8
143.01874	19.5
144.01994	2.2
145.03503	5.3
145.04977	4.6
145.83092	1.8
147.04419	70.6
148.04851	2.4
149.05988	7.8
151.07590	8.1
155.01917	4.1
157.03561	1.9
161.02960	64.2
162.03094	4.9
162.04166	4.1
163.04555	1.6
163.07579	2.3
165.05554	2.6
167.07051	21.7
173.02953	5.1
176.51605	1.5
177.00742	2.6
177.05464	2.1
179.07043	100.0
180.07384	2.2
181.03453	2.2
184.04617	5.3
185.02974	3.7
189.00722	2.2
191.07080	2.4
197.02965	2.1
197.04604	1.7
197.08134	8.4
199.04611	3.8
202.10806	5.0
203.03998	32.4
203.05727	2.3
204.04279	2.9
215.07396	1.4
219.01843	1.8
220.11890	1.9
221.05089	8.5
223.04587	2.8
229.07039	3.0
235.04495	2.2
237.02834	4.7
240.01122	1.4
241.05830	1.7
245.05035	14.6
261.02832	1.7
263.06158	5.3
263.08969	5.3
265.05646	2.0
280.07120	3.5
288.83081	1.7
289.07654	1.9
293.10239	2.3
308.14276	1.9
311.11319	7.1
321.08606	1.6
376.15897	2.1
394.17667	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.5
53.03919	0.6
53.40100	0.4
54.40849	0.5
55.01864	0.7
56.96552	2.1
57.03423	1.2
58.99839	0.5
60.04523	0.6
61.02924	1.2
62.06190	0.5
69.03436	3.5
70.06581	1.7
70.47413	2.0
73.02908	0.8
81.03407	1.6
82.74122	0.4
82.99879	1.4
84.04504	0.9
84.08143	0.8
85.02908	6.5
91.03996	0.6
91.05470	2.4
95.01987	0.5
95.04971	5.8
97.02898	3.1
98.97573	3.5
99.04456	0.7
101.00871	7.2
101.67365	0.5
103.05485	0.8
107.04932	1.2
109.02878	1.6
111.04440	0.7
113.00836	1.0
115.02415	1.6
116.07095	1.1
116.98615	2.9
119.01926	35.1
119.04943	5.1
120.02002	1.5
122.03660	0.7
123.04433	14.2
124.04736	1.1
127.02401	0.5
127.03915	1.8
128.98599	1.0
131.01921	7.5
131.04927	0.6
132.04456	22.4
133.03467	1.4
133.04813	0.6
134.03592	0.5
134.99631	1.9
135.04416	1.1
137.02298	6.2
137.03050	4.4
137.05980	22.1
138.02940	0.5
139.03868	0.7
142.01097	0.5
142.03474	1.1
143.01901	30.8
144.02007	1.3
145.03465	7.4
145.04762	0.8
146.99628	1.7
147.01369	0.6
147.04407	10.5
148.03918	1.5
149.02962	1.3
149.05954	1.0
151.03943	0.5
151.07486	0.9
153.05447	0.7
155.01903	4.4
156.02716	0.6
157.03485	3.0
158.99599	0.6
160.02153	1.4
161.02962	100.0
162.03079	6.3
163.04636	1.0
165.00726	1.1
167.01921	0.6
168.06537	0.6
169.03462	0.8
173.02968	8.3
174.03305	0.8
174.99207	0.6
175.04576	1.4
175.11856	0.7
177.00748	1.3
177.02342	0.8
177.05466	5.3
179.01953	0.6
179.04016	3.5
179.07031	14.1
181.03430	2.3
184.04570	7.5
185.03001	4.3
185.04659	0.8
186.03024	0.6
187.04494	1.2
189.00719	0.8
190.98637	0.6
191.03998	1.2
193.00197	1.2
196.06039	5.6
197.02904	2.6
197.06299	0.5
197.08061	6.2
199.04530	6.0
203.04013	48.8
204.04184	3.1
207.01926	0.7
209.02936	1.0
209.07997	2.5
215.03780	0.6
219.01807	1.5
221.05069	12.1
223.01292	0.5
223.04532	3.9
225.06142	1.1
227.04082	1.2
232.04604	0.9
235.04530	3.2
237.02797	3.3
237.06070	1.4
241.05606	1.8
244.06693	2.0
245.05084	18.1
246.05453	1.6
247.01563	0.6
247.04601	1.7
249.06151	1.1
259.04514	1.9
263.06128	11.6
264.06302	1.4
265.05551	3.8
270.02881	1.5
274.05603	1.0
277.05585	1.6
286.07703	0.6
292.06766	1.4
307.06714	2.2
312.04187	0.7
325.07565	3.2
334.07629	0.5
337.02957	0.5
348.09073	0.6
352.08899	0.8
355.08716	2.2
356.09058	0.6
394.04834	0.9
394.09448	1.1
394.13657	0.8
394.34750	0.8
406.66122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
55.05508	21.0
57.03421	5.3
57.07077	37.1
59.04985	2.3
65.03935	6.3
66.45766	2.6
67.05506	43.1
69.03423	4.3
69.06772	2.4
69.07074	24.6
70.85945	4.5
71.08630	25.6
77.03922	3.1
79.05485	28.6
81.07056	68.7
83.04989	4.3
83.08617	18.2
83.34954	2.3
83.56599	2.0
85.06527	5.1
85.10157	12.2
85.38776	2.2
85.88407	1.8
85.89209	2.3
90.17929	2.6
91.05484	51.0
93.07046	79.0
95.04973	54.1
95.08609	73.3
95.09236	3.4
97.06519	12.6
97.10178	6.2
98.00542	1.9
98.20810	2.7
98.98466	49.4
103.05465	4.5
105.07030	99.0
107.08593	46.5
108.08920	2.9
109.06540	16.5
109.10155	29.4
111.08107	3.1
115.05449	5.5
116.53522	2.0
117.07002	23.3
119.04977	3.2
119.08578	88.8
121.06504	22.5
121.09319	2.8
121.10144	40.8
123.08060	10.1
123.11709	18.7
128.06236	10.6
129.06992	16.5
130.07761	6.5
131.08568	38.2
133.10135	50.0
135.08075	5.1
135.11700	23.3
137.06000	3.2
137.13228	2.6
141.06989	6.6
142.07773	23.8
143.08565	25.9
144.09306	10.5
145.06509	5.9
145.10121	60.5
147.08128	3.0
147.11674	20.5
149.09604	4.8
149.13295	4.2
153.05447	3.3
155.01045	100.0
155.08568	13.8
156.09373	14.3
157.10124	54.1
158.10944	5.5
159.08067	4.0
159.11684	43.1
161.09639	18.7
161.13239	9.8
163.11198	3.5
165.06949	3.8
167.08546	6.2
168.09416	2.6
169.10114	26.2
170.10910	6.7
171.11661	24.2
172.12418	3.5
173.09639	4.7
173.13232	19.2
175.11169	10.1
175.14810	19.5
179.08554	5.1
180.09317	3.2
181.10103	9.0
182.10892	5.0
183.11708	16.9
184.12442	3.3
185.09645	2.6
185.13213	14.2
187.11194	9.0
187.14818	10.6
193.10110	5.5
194.10887	5.6
195.11703	11.6
196.12430	5.8
197.13170	14.3
198.13783	2.6
199.14862	5.8
201.12735	3.7
201.16367	8.0
207.11609	4.9
209.13268	16.8
211.14789	10.1
213.16420	6.0
217.15886	2.8
219.17447	3.0
220.12436	3.6
221.13228	4.6
223.14838	7.2
225.16415	5.1
227.14404	2.6
235.14832	6.0
237.16418	4.5
239.14384	4.6
239.23738	10.6
253.15976	6.6
261.16434	2.5
265.19577	4.7
274.13974	2.4
283.20761	2.8
297.08499	2.2
319.20605	3.3
375.26779	5.7
393.27908	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	393.2482
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
50.86040	4.1
53.70018	4.4
55.05508	8.8
56.44929	4.2
57.03440	4.1
67.05494	9.3
69.03435	7.1
69.07059	16.8
69.45182	25.9
69.45605	16.5
70.06586	6.3
72.08136	8.6
73.35304	4.1
81.03407	7.0
81.07035	15.3
82.06584	5.4
83.04994	5.3
83.08617	9.4
85.02895	9.5
85.07673	9.9
86.09689	17.7
91.05478	8.5
93.07027	16.0
95.08598	32.8
97.02856	8.2
99.08070	17.1
105.06997	6.4
107.04919	7.0
107.08595	30.3
109.10175	14.5
111.08083	7.5
119.04942	4.9
120.08089	4.7
121.10139	33.7
125.02251	4.4
125.09637	9.3
129.69493	4.6
131.08540	4.9
135.11719	10.3
136.07555	21.6
147.07861	4.5
149.05949	13.6
151.03880	17.1
170.05963	8.2
177.05435	19.5
177.16399	100.0
178.16769	5.8
179.07173	5.7
186.32478	5.0
195.13705	4.9
195.17436	29.2
207.09703	5.7
207.76758	5.7
213.18517	17.8
216.08826	59.4
240.08835	33.2
241.08879	6.7
246.10034	5.9
249.15997	10.9
273.11343	5.4
297.41470	4.7
300.10785	31.7
370.99982	4.8
393.15100	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	393.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.1
55.01861	9.1
55.05508	8.1
56.96573	5.5
57.03437	5.8
57.07089	4.3
65.03979	3.3
67.05509	15.1
69.03424	12.1
69.07065	16.0
70.06579	10.7
71.04991	6.2
71.57201	4.2
71.57590	4.1
72.08160	9.7
73.02916	13.8
79.05496	12.3
81.03432	9.0
81.07057	27.3
82.06586	5.5
83.05014	3.5
83.08625	9.0
84.04517	14.4
84.08162	3.5
85.02916	18.9
85.06521	6.0
85.66721	2.7
86.09682	6.7
91.05476	14.1
93.07044	18.2
95.04972	9.1
95.08615	30.8
97.02902	9.3
97.06552	9.4
97.10162	7.1
98.97595	9.3
99.04490	5.6
99.08089	12.7
105.07043	11.9
107.05009	7.5
107.08606	23.7
109.02904	8.8
109.06505	6.8
109.09499	4.2
109.10147	25.3
111.04421	5.7
111.08056	8.8
114.05640	3.6
114.10307	3.6
116.98643	8.5
119.08589	8.7
120.08127	5.3
121.06490	4.3
121.10146	42.2
122.10516	2.9
123.08127	4.0
123.11719	4.7
124.07581	3.3
125.05988	16.3
125.09618	10.7
127.03928	8.4
130.05070	3.4
131.08537	3.8
133.06494	4.8
133.10149	6.9
134.99660	6.9
135.08035	4.0
135.11674	10.8
137.05984	37.1
137.09633	14.6
137.13251	3.3
139.07539	6.9
141.05447	3.5
145.02985	3.6
145.05025	3.7
145.06546	2.8
146.99683	3.6
147.04390	4.8
149.02232	4.2
149.06050	5.4
149.13254	4.0
151.03900	41.1
161.06004	7.7
161.09605	2.7
163.04045	3.2
163.07603	3.1
167.07051	10.6
173.05919	4.7
175.14841	4.9
177.00742	8.1
177.05507	11.7
177.09097	9.6
177.16389	100.0
179.07079	12.0
179.10686	5.2
195.17448	27.2
196.10498	4.6
197.08179	23.3
197.09996	4.4
197.11728	35.3
203.10768	3.8
207.06444	3.4
213.18524	24.5
216.08798	51.5
219.01939	3.0
225.06497	5.3
230.10362	4.1
237.02844	6.1
240.08803	28.1
246.09898	3.7
252.09920	2.8
271.08835	3.3
272.11652	3.2
273.14838	3.4
283.04749	4.6
300.10913	19.7
301.11111	3.7
301.14331	5.4
343.11789	3.7
363.18198	8.0
375.13892	4.7
375.18164	7.8
393.15405	22.9
393.66605	4.4
394.23209	15.7
397.11676	6.8
415.12781	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	393.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26984	0.3
54.42872	0.3
63.23539	0.2
65.59506	0.2
68.05030	1.6
70.06580	0.4
70.83879	0.3
70.84248	0.8
72.08141	0.4
74.01691	0.3
81.61713	0.2
86.09658	0.2
87.67767	0.2
95.08568	0.4
121.10164	0.3
124.05047	0.5
130.04971	1.0
140.03386	0.7
140.77368	0.2
148.68008	0.3
149.04608	0.7
151.03905	0.3
166.07217	0.4
171.06613	0.3
172.05980	0.9
177.05513	0.3
177.16377	0.5
184.12109	0.2
189.06445	0.5
197.11774	0.4
198.39465	0.3
201.06485	1.5
202.07263	1.6
203.08118	1.3
204.08817	6.7
215.07970	1.7
216.08809	100.0
217.09444	3.6
218.10385	5.5
219.01564	0.3
225.06453	8.9
226.07227	2.7
227.08067	1.3
228.08731	0.7
229.09549	1.3
230.10371	10.5
231.10602	0.3
240.08809	54.0
241.09431	2.8
242.06761	0.4
242.10371	0.4
246.09880	7.5
255.09918	0.4
256.08292	0.3
258.09927	2.7
268.08249	5.2
272.11462	4.2
283.09525	1.3
284.26950	0.3
286.09058	0.3
300.10922	55.6
301.11316	1.6
311.08960	0.8
315.12030	1.0
333.13129	2.9
343.11603	2.4
361.12604	7.1
375.14124	6.6
375.18835	0.4
393.15186	41.3
394.15308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05523	0.3
67.05521	0.4
69.07053	0.3
71.14925	0.5
79.05510	0.2
81.07045	0.6
86.09657	0.3
90.22859	0.3
93.07025	0.4
95.08598	0.4
96.34732	0.2
98.97593	1.0
106.96064	0.2
107.08590	0.3
109.10139	0.6
112.35300	0.2
114.65439	0.2
116.98584	0.5
123.11742	0.3
133.10112	0.8
135.08017	0.3
137.05986	0.9
137.09630	0.4
158.99672	0.3
163.07571	0.3
167.07092	0.6
177.00723	0.3
177.09102	0.3
203.05350	0.3
217.69106	0.2
237.02921	0.3
249.07582	0.3
275.09457	0.4
393.18845	100.0
393.70270	0.3
394.19189	5.2
409.15369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.6
55.39962	2.0
57.07074	5.5
61.02935	3.1
67.05486	8.7
69.03428	4.4
69.07073	11.9
70.06590	8.5
70.91666	2.2
71.08617	2.5
71.57545	4.0
75.50481	2.6
79.05492	7.3
81.07072	17.7
83.05000	4.8
83.08612	10.4
85.02907	9.7
86.09700	8.4
87.04440	2.3
91.05488	6.1
93.07050	15.0
95.04990	4.0
95.08604	26.2
97.02921	2.8
97.10145	3.3
101.06885	2.1
105.07028	4.3
107.08600	41.0
109.02885	3.1
109.06551	2.6
109.10146	13.0
110.10534	2.3
111.08072	2.7
119.08574	5.1
120.08109	9.7
121.10141	54.8
123.11697	7.2
125.06017	2.9
125.09644	3.3
127.03902	2.6
130.09805	4.5
135.07983	2.4
135.11665	18.3
137.05992	5.3
137.13264	22.2
139.11194	2.6
145.05148	2.6
149.02350	9.6
149.13290	8.1
150.02644	2.6
167.03613	2.7
167.06996	5.1
170.12602	2.7
177.16399	100.0
178.16724	2.5
183.02936	2.6
194.16328	3.5
195.17458	33.8
211.16982	5.2
212.17224	5.9
229.18031	5.4
230.18369	9.0
233.16469	4.7
392.10693	7.3
392.17792	5.8
392.23083	13.4
393.11053	2.4
393.18887	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	392.211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	24.8
67.05532	0.5
69.07089	0.4
70.06877	2.0
71.95280	2.7
72.96064	1.8
74.97652	1.7
76.17043	0.6
84.96066	0.8
92.98683	0.8
98.21429	0.5
106.73981	0.5
110.97556	2.5
123.01193	0.5
128.98595	5.3
137.02798	1.2
141.02228	0.7
146.99673	4.9
149.01295	0.6
149.02443	1.3
150.02708	0.6
152.00307	0.5
155.03844	1.3
157.01804	0.5
165.00752	1.3
171.03339	1.2
172.82318	0.5
185.04893	1.0
192.62631	0.5
199.06418	2.3
203.05997	1.8
204.06747	1.4
205.07655	0.8
211.06572	0.7
213.08041	2.1
217.07472	3.7
218.04672	1.9
222.07893	1.6
223.10025	3.9
225.07959	1.1
231.09035	3.3
236.05569	0.6
239.09621	3.3
241.11119	38.7
242.11450	1.1
243.09109	1.6
245.10893	0.5
251.09657	0.9
253.11255	1.7
257.10510	2.5
259.12189	56.8
260.12592	1.8
264.12732	6.5
267.09189	1.1
269.10608	4.7
271.12244	1.2
277.13330	0.7
281.10709	0.8
282.13803	6.3
287.11743	2.1
292.12170	0.8
305.15503	1.0
309.17419	2.0
315.16486	0.5
333.17334	3.8
339.18451	1.3
351.18393	35.5
352.18936	1.5
369.19498	100.0
370.19836	6.0
373.95105	0.6
374.20041	4.6
387.20511	10.5
388.21011	0.9
392.21060	30.2
393.21439	3.5
410.22214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55453	0.8
55.01851	0.7
55.05499	1.9
56.61500	0.7
69.03425	1.0
70.06597	20.0
70.91640	2.5
71.04974	2.5
72.08136	1.2
79.05485	1.6
80.05001	1.9
81.03413	1.2
81.07040	1.8
85.02888	1.4
86.09708	8.2
91.05461	3.2
93.07034	1.9
95.04935	0.9
95.06077	2.1
95.08596	1.6
97.06551	0.7
103.05488	1.3
105.04500	2.2
105.07032	6.4
106.06551	1.0
107.04965	1.8
107.08572	1.6
108.04446	0.7
112.08710	1.6
114.10233	1.1
115.05450	2.2
117.06998	3.1
118.06509	0.9
119.04969	1.2
119.06062	1.5
120.08104	8.4
121.06494	2.1
123.04446	1.3
123.08074	2.8
124.03944	1.4
126.05486	1.3
130.09746	2.3
131.06064	1.2
132.08089	1.3
133.06511	7.1
134.09662	0.9
134.41663	0.7
135.08058	1.0
135.11617	1.0
137.05980	1.0
138.09062	1.0
143.06024	1.3
145.06584	1.1
145.07622	3.0
147.09120	1.0
149.02348	2.4
149.09616	1.0
150.02739	1.8
151.07553	11.4
153.05583	0.9
157.07616	4.3
159.09193	6.8
161.05962	8.9
162.06720	1.4
163.05035	1.5
167.07043	15.3
174.12715	0.9
175.07504	1.7
177.09106	100.0
178.09438	2.3
191.56824	0.8
192.13806	1.2
193.08604	57.1
194.08907	1.4
195.10161	8.2
199.18095	1.8
203.08144	4.3
203.10640	1.0
211.16937	1.0
212.17336	0.9
221.11745	27.1
222.12218	0.9
227.17599	0.8
231.06187	1.2
233.16508	2.6
241.16983	1.6
259.18082	1.3
260.16479	2.0
262.18018	1.3
269.16492	2.3
271.18057	3.3
279.17191	0.9
286.19077	1.2
287.17532	2.8
289.19135	2.3
306.17126	0.9
311.18600	7.8
314.18649	2.0
315.17053	4.4
333.18042	4.0
346.04868	3.0
348.24554	0.8
357.19287	1.2
364.05719	1.5
369.06583	2.2
374.22153	0.9
375.18048	2.1
392.22928	70.0
393.18765	2.4
393.23337	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	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92065	1.8
55.05499	1.8
56.96294	2.0
56.96565	36.0
57.03418	1.4
66.51305	1.2
70.03833	7.3
71.95259	2.8
72.96046	2.2
81.07035	1.6
81.68806	1.3
81.91514	1.3
96.80217	1.3
133.01767	1.8
137.02731	2.1
139.00566	1.3
146.99651	3.0
149.02356	4.1
150.02710	2.8
155.03777	1.9
166.78789	1.3
171.03392	3.1
173.04857	2.1
175.02705	1.6
185.04840	4.6
189.04379	5.4
197.04822	1.7
199.06386	6.7
201.04309	1.4
203.05910	6.2
211.06419	2.2
213.07980	6.7
217.07451	9.5
225.07979	5.1
227.09753	2.0
229.07520	2.3
231.09009	11.2
237.07886	2.2
239.09523	3.4
240.09061	1.6
240.96999	1.4
241.11119	1.7
243.09013	3.7
245.10643	3.1
249.07846	3.3
251.09694	3.9
255.09003	18.4
257.10593	3.6
267.09042	15.1
269.10596	29.4
273.09985	14.5
278.10724	4.4
285.10114	22.7
287.11667	15.8
290.10620	2.6
292.12109	8.0
303.11124	2.0
308.11703	5.6
310.13208	2.7
333.17343	4.9
351.18390	34.1
369.19489	100.0
370.19800	5.4
374.20035	4.9
387.20694	8.2
392.20993	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	392.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32224	1.6
55.05504	2.6
56.96293	3.7
56.96564	47.5
69.34042	1.7
69.83361	7.9
69.83772	3.2
71.95245	6.0
72.96027	2.5
79.05450	1.9
81.07066	3.3
85.02910	2.5
86.09702	1.9
95.08698	1.9
97.02870	2.1
107.08496	1.8
109.10231	1.9
112.72933	1.7
118.83150	1.7
119.08558	2.5
128.98605	1.8
146.99666	5.0
149.02344	5.2
150.02600	2.6
155.03773	3.4
157.65488	1.8
171.03308	5.1
185.04819	5.6
189.04323	4.8
199.06441	7.3
201.08014	3.2
203.05917	7.6
211.06413	5.4
213.07967	12.1
217.07486	17.3
222.08018	2.3
225.07953	4.5
226.07532	2.2
229.07407	10.2
231.09039	20.2
236.09537	3.1
237.08035	5.2
239.09579	5.8
241.11198	4.4
243.09056	8.3
245.10704	3.4
247.08443	4.9
249.07951	3.6
251.09560	8.8
254.10660	3.0
255.09091	24.1
257.10550	4.8
259.12207	3.1
261.10275	2.3
267.09024	20.2
269.10605	70.1
270.10858	2.1
273.10089	18.8
278.10638	3.3
285.10086	35.6
287.11624	39.1
288.11908	2.2
290.10452	3.6
292.12149	18.2
292.33688	1.8
303.11032	3.9
308.11685	4.7
309.17401	2.0
310.13177	3.5
333.17343	5.8
351.18408	35.7
369.19501	100.0
370.19910	4.4
374.19742	3.5
387.20422	13.3
391.36472	2.8
392.20911	30.9
392.36340	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	392.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23743	0.9
52.16119	0.8
54.08160	0.9
56.96569	21.1
61.67890	0.9
71.15244	1.1
71.15572	1.4
71.95261	2.3
74.97612	1.3
86.75623	0.9
110.97588	0.8
123.01230	1.6
128.98549	2.1
146.99651	2.4
147.04407	1.4
149.02321	3.3
157.01643	1.0
165.00815	1.2
167.03767	0.9
171.03310	4.4
183.03191	1.2
185.04767	4.4
189.04358	4.5
197.04956	1.2
201.04425	1.0
203.05914	9.6
211.06474	1.7
215.06010	1.2
217.05411	2.0
217.07475	2.1
223.06252	1.3
225.07835	1.2
226.07477	1.9
227.09547	4.2
229.07578	1.5
235.06467	1.8
239.09593	2.2
243.09099	1.6
245.10513	7.0
250.10980	1.1
253.07555	2.9
253.11206	1.0
255.09106	2.1
257.10757	1.3
267.09000	1.3
271.08530	1.7
273.10016	1.1
285.10275	1.2
292.06625	0.9
309.17462	2.0
315.16434	3.1
333.17325	12.8
351.18393	57.8
352.18762	2.1
369.19501	100.0
370.19748	5.5
374.19995	11.4
387.20554	16.6
388.20819	1.7
392.20889	22.1
392.24802	27.4
393.21338	2.5
410.21964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
53.88502	0.5
54.31293	0.5
55.01864	1.0
56.25550	0.6
57.03431	1.3
61.02911	1.1
69.03438	3.5
69.07064	0.8
70.06584	1.4
70.96380	0.8
70.96743	1.1
71.05000	0.9
72.45842	0.5
73.02915	0.7
79.05493	2.6
81.03413	2.0
81.07061	0.8
84.04451	0.6
85.02906	10.5
86.09712	0.6
87.04426	0.5
91.03976	0.7
91.05499	2.9
95.04978	1.4
97.02917	3.0
97.06542	0.5
98.97584	1.2
99.04493	0.7
103.05473	3.6
104.17092	0.5
105.07058	3.6
107.04960	30.3
107.08604	0.9
109.02889	1.1
109.10138	0.7
115.05457	1.5
116.98605	1.0
117.07040	1.3
120.05737	1.1
120.08109	1.3
121.06526	1.1
121.10149	0.8
123.04403	1.6
123.08137	0.6
123.63432	0.6
124.05197	1.0
125.06013	1.5
127.03899	2.6
131.04935	1.6
135.08058	11.0
137.05991	1.8
138.06256	0.6
145.05026	1.3
145.06494	0.6
145.07597	0.8
147.04442	0.7
149.02328	1.7
149.05959	2.0
149.09669	0.8
151.03934	2.5
151.07541	13.4
152.07944	0.7
153.05463	1.2
154.06212	1.0
163.07550	30.3
164.07896	1.2
165.09163	0.6
167.07042	80.1
168.07385	2.0
176.77687	0.5
177.05418	1.8
177.09094	1.6
180.07861	2.6
181.04900	0.6
181.08557	1.7
189.13519	0.9
194.11830	0.7
195.10168	31.4
196.10513	0.8
199.28896	0.5
213.11224	100.0
214.11549	3.5
237.02716	0.6
392.19467	1.7
393.20908	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	392.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	45.2
57.07053	0.9
65.92625	0.7
67.05499	1.4
69.07080	0.9
70.06586	1.0
70.74023	1.7
70.74411	1.6
71.08624	1.7
71.95255	3.1
72.96035	1.6
74.28165	0.7
74.97601	1.0
81.07050	1.8
109.10168	1.1
110.97576	1.0
115.00709	0.9
116.98692	1.0
119.01604	0.8
123.01218	0.8
128.98636	2.8
130.10513	1.0
133.01752	1.9
137.02721	1.7
139.00719	0.7
141.02235	2.1
145.01814	0.9
146.99594	3.9
149.02362	3.1
150.02745	0.9
151.00587	0.8
155.03802	2.9
157.01743	1.5
159.03314	1.6
161.04906	1.0
165.00677	0.9
167.03775	1.6
169.01704	1.4
169.05397	1.6
171.03264	3.7
173.04866	1.3
175.02882	1.5
181.05362	0.9
185.04915	3.9
187.02768	1.6
189.04387	4.5
191.05843	1.4
193.05315	1.0
195.06920	1.5
197.04878	1.6
199.06409	7.9
201.04390	1.3
201.08200	0.9
203.05913	7.7
207.05302	1.0
211.02805	0.9
211.06512	4.3
213.08000	6.1
215.06015	1.1
217.05505	0.9
217.07471	14.9
225.07959	5.0
226.07338	0.8
227.05829	1.2
227.09532	2.1
229.07498	3.4
231.06929	0.7
231.09021	11.9
237.07996	4.0
239.09474	4.4
240.09047	1.7
241.11031	2.1
243.09023	5.5
245.10600	3.4
248.09534	1.0
249.07877	3.9
251.09494	5.6
253.10985	1.4
254.10744	1.2
255.09071	22.5
257.10696	3.4
259.12039	1.8
267.09052	21.4
269.10593	39.2
273.10101	16.9
278.10663	5.1
281.10684	1.0
285.10098	38.9
286.10464	1.3
287.11667	16.7
290.10522	4.4
292.12149	10.5
293.12485	1.0
295.15646	1.1
296.11682	2.7
303.11182	4.5
308.11609	6.7
309.17429	1.1
310.13269	3.0
315.16235	1.3
321.17093	1.0
330.32916	1.4
333.17477	9.4
351.18408	49.9
352.18884	1.6
369.19498	100.0
370.19760	3.9
374.20126	6.4
387.20520	8.5
391.36136	3.1
392.21048	33.7
392.36292	8.8
393.21375	2.7
410.21985	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03473	0.6
61.02937	0.6
67.05514	0.7
69.03455	3.0
70.06589	1.1
70.85497	1.8
72.08170	0.9
79.05482	1.3
81.03432	1.0
83.49265	0.6
84.04494	0.9
84.08155	1.1
85.02917	6.5
91.05478	1.6
92.10796	0.6
93.07060	0.6
94.30899	0.6
95.93621	0.5
96.08131	0.6
97.02911	1.6
107.04956	1.5
107.08570	1.0
119.04964	0.9
120.08120	0.8
121.06514	4.9
121.10119	1.8
125.06002	18.0
127.03920	0.9
130.08627	0.7
137.05975	0.8
139.07523	1.5
145.04976	1.4
149.02324	1.6
149.05991	2.0
149.09674	1.2
150.02715	0.8
151.03943	1.1
151.07539	5.4
152.04675	2.7
153.05475	100.0
154.05786	1.9
163.07549	0.7
167.07051	40.8
177.05447	1.6
177.09123	1.4
195.06548	50.7
208.76729	0.7
213.07599	91.2
213.11143	4.9
214.07878	1.4
220.40508	0.6
344.72586	0.8
392.14243	0.9
392.19525	2.2
402.34238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.7
56.96559	5.0
57.03436	2.2
61.02919	4.8
67.05485	1.9
69.03441	7.8
69.07062	2.8
70.06603	8.1
71.04996	2.8
71.06927	1.7
71.57394	1.7
71.57773	1.9
71.79045	1.5
72.08146	1.9
79.05036	1.3
79.05489	3.5
81.03425	4.9
81.07050	3.0
82.06573	1.9
84.04474	1.5
84.08167	2.4
85.02903	23.1
86.09718	1.4
89.03903	6.8
91.03945	2.4
91.05470	6.9
93.07029	4.2
95.04955	11.3
95.08607	2.1
97.02923	7.2
97.06574	2.5
98.06036	1.9
98.97589	6.3
99.04440	4.0
102.05566	7.2
105.07014	1.8
107.04960	5.7
107.08610	2.7
109.02878	3.7
109.06536	10.0
109.10125	1.8
111.04451	3.2
111.08064	4.5
116.07083	2.3
116.98643	5.6
117.03363	5.4
119.04911	4.3
119.08582	3.6
120.08046	2.8
121.06514	11.2
123.04456	5.8
123.08037	3.7
125.09666	1.4
127.03951	4.6
128.98607	2.3
129.11298	2.1
131.08548	2.3
132.04456	2.3
134.99651	3.4
135.04405	17.0
135.08055	3.6
136.04648	1.7
136.07582	2.1
137.05991	4.0
138.09146	10.7
139.03914	6.6
139.07533	20.0
140.07057	6.6
145.02846	6.5
145.04996	3.6
146.99646	2.2
147.04407	12.3
149.02367	8.0
149.05981	2.2
149.09604	16.3
150.02722	4.7
151.03929	1.5
151.07561	2.1
152.07063	5.9
153.05478	3.7
154.08620	2.2
156.10234	6.3
158.99680	3.5
163.03912	48.7
164.04260	4.4
166.12288	3.6
167.07042	17.3
167.08469	2.2
167.10687	42.2
168.07413	2.0
168.11151	2.0
175.11891	4.7
176.10745	2.8
177.00667	3.9
193.12241	2.2
194.11769	100.0
195.06621	4.1
195.10172	11.9
195.11958	2.6
199.09508	1.5
199.35812	1.4
203.15074	3.5
204.15387	2.7
211.13380	2.4
212.12823	45.3
213.07736	2.1
219.01729	3.1
230.13873	65.5
231.05394	1.9
231.14209	2.0
237.02786	4.5
240.15970	2.1
241.03831	2.1
285.06537	3.6
286.16638	1.8
303.07440	3.5
392.22772	9.9
393.12485	2.7
393.17441	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	392.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18101	0.5
55.01876	2.5
60.05649	0.5
61.02923	1.1
67.05515	0.6
69.03433	1.8
69.07045	0.5
69.92419	1.4
69.92818	0.8
70.06597	1.9
72.08155	0.6
73.02901	0.7
78.34703	0.5
79.05483	0.7
81.03418	1.6
81.07074	0.4
84.04496	1.0
84.08136	1.7
85.02910	6.2
85.08488	0.4
91.05476	1.4
93.07043	0.7
93.92780	0.6
95.08604	0.6
97.02886	1.6
97.06534	1.0
98.20852	0.6
105.07035	0.5
107.04916	0.5
107.08643	0.8
109.02870	0.9
109.10149	0.7
116.07121	0.6
120.08099	1.3
121.06531	3.9
121.10133	0.8
123.08099	0.7
124.07566	0.7
125.05997	17.5
126.06384	0.4
127.03915	1.4
133.06496	0.8
133.10170	0.5
137.05986	1.3
139.07536	1.4
145.04950	1.3
147.47528	0.5
149.02353	1.2
149.05992	1.7
149.09637	0.6
150.02736	0.6
151.04019	0.6
151.07552	5.7
152.04657	2.8
153.05472	95.1
154.05801	1.1
167.07047	37.1
168.07281	0.7
177.05423	1.7
177.09099	1.1
195.06540	57.4
195.10162	2.4
196.06902	1.1
206.23694	0.5
212.10782	0.9
213.07590	100.0
213.11084	3.4
214.07881	1.9
230.08139	0.7
235.12953	0.5
359.07306	0.4
392.13550	0.5
392.19492	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.2
55.05513	21.0
56.96578	2.7
57.03435	5.2
57.07085	12.4
65.27971	2.4
67.05509	15.1
68.35094	2.0
69.07069	28.2
69.30116	5.6
69.30521	19.3
71.08627	9.2
76.19825	1.9
79.05501	12.2
81.07076	19.7
83.08622	21.4
93.07060	11.6
95.08634	12.8
97.06547	4.1
97.10169	16.8
98.21448	4.6
98.98475	74.7
101.06767	2.2
103.55151	2.4
105.07054	3.1
107.08597	9.8
109.10168	6.3
111.08106	4.2
111.11695	7.7
116.99546	4.3
121.10132	14.6
123.11706	6.0
135.11691	9.8
137.13269	3.6
140.01025	3.2
145.10071	2.3
149.02361	37.6
149.13240	4.6
152.00069	2.3
155.01051	100.0
167.03433	2.8
196.03706	2.5
219.21085	9.0
237.22160	21.7
309.13611	2.6
329.08835	2.2
391.18008	3.4
394.99606	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.96558	1.4
57.07078	1.0
57.39968	0.4
69.07059	0.4
71.08619	1.1
71.26282	0.7
71.26595	0.5
78.47169	0.4
79.05489	0.5
81.07052	1.0
91.05466	0.7
93.06981	0.4
95.08594	0.6
105.07063	0.5
107.08582	0.4
131.08562	0.3
149.01173	0.6
149.02341	7.2
165.22791	0.3
167.03429	0.9
203.05777	0.6
215.52095	0.4
227.09402	0.5
247.50195	0.4
277.00650	0.4
329.32440	0.7
333.17322	0.6
350.17474	0.5
351.18448	3.0
353.21854	0.4
369.19464	5.4
374.19617	0.4
387.20358	0.8
391.24551	100.0
392.20795	1.4
392.25186	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	391.188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74679	4.4
55.01870	10.1
55.05517	29.9
57.03420	6.7
57.07074	13.0
61.02916	9.0
65.03934	5.0
67.05508	53.9
69.03446	5.2
69.07079	21.6
71.04993	5.6
71.08630	12.1
71.59920	8.5
78.27504	4.3
79.05493	21.2
81.03413	30.9
81.07072	39.0
83.04977	24.6
83.08624	35.3
85.02905	9.2
90.95380	5.1
91.05473	33.4
93.07040	20.9
95.04968	17.0
95.08597	17.3
97.02908	13.1
97.06512	6.9
97.10149	10.5
105.07029	33.1
107.04980	12.4
107.08595	15.1
109.02891	9.1
109.06511	7.5
109.10143	32.8
111.04418	5.2
114.10290	6.9
117.07001	6.4
119.08556	25.6
121.02867	5.6
121.06490	6.7
121.10165	16.1
123.08106	8.3
129.05455	4.7
129.07027	7.6
131.08611	16.0
133.10159	23.7
134.99648	4.6
135.08076	10.3
135.11717	7.9
137.05992	7.5
137.09641	6.9
143.08556	6.3
145.10133	24.0
147.11688	14.5
149.02359	100.0
149.03487	8.0
149.06065	6.2
149.09656	11.2
153.05415	5.8
155.08667	5.4
159.11693	7.8
161.05977	8.2
161.09708	5.7
163.11200	19.4
167.03455	14.4
167.07095	8.6
173.11752	19.9
175.11182	7.7
177.05487	5.0
229.14319	35.6
239.17947	9.8
257.19049	11.1
275.20047	89.5
276.49353	5.1
293.21118	38.0
330.03592	8.2
361.05405	15.3
373.18741	7.4
376.07666	7.1
391.10358	33.1
391.18954	4.7
391.24649	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	391.1881
Annotation	Licoflavone B
Peak:m/z	Relative Intensity
53.03945	3.3
55.01875	4.0
55.05510	12.3
56.38520	1.3
57.03425	2.8
57.07084	3.3
67.05164	2.4
67.05505	28.2
68.14777	1.3
69.03425	3.5
69.07063	10.8
70.06245	6.7
71.04967	1.8
71.08627	3.7
72.08154	1.7
79.05499	31.0
81.03424	5.1
81.07059	90.7
81.10725	1.4
83.04990	5.4
83.08612	6.2
85.06539	3.0
91.04962	2.2
91.05487	27.1
93.07053	21.8
95.04970	8.6
95.08611	22.4
97.06545	4.2
97.10095	2.4
98.98475	3.3
99.08082	2.4
105.07033	34.2
107.04970	16.3
107.08593	14.9
109.06530	22.1
109.10162	10.2
111.08068	3.0
113.77585	1.3
113.90860	1.4
114.10296	7.1
117.07034	8.4
119.08577	23.2
121.06522	5.7
121.10133	11.1
123.08090	4.6
123.11677	2.9
129.07047	4.0
131.08542	12.2
133.06499	1.8
133.10136	19.1
135.08084	6.0
135.11707	3.8
137.05995	2.7
137.09612	3.9
143.08575	2.5
145.10106	11.2
147.08051	2.5
147.11693	11.2
149.02350	20.5
149.09622	4.5
149.13252	5.1
151.11270	1.5
154.61566	1.8
155.08611	2.4
155.83467	1.4
157.10161	5.3
159.11667	6.9
161.09622	3.6
161.13293	3.0
163.11237	5.2
163.14812	2.8
165.12810	6.4
167.07092	3.2
171.11685	2.0
173.13271	3.7
175.11250	2.8
177.12770	2.0
182.44757	1.5
187.14738	1.6
189.16168	1.4
193.12273	3.8
201.12880	1.5
229.19511	3.5
239.17944	3.9
247.20631	5.0
257.18927	7.4
271.08411	2.4
275.20065	100.0
276.20352	4.9
293.21146	13.3
293.26944	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	390.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01873	0.7
55.05513	0.9
56.96564	0.6
57.03444	0.6
61.02923	0.6
65.91603	0.3
67.05509	1.0
69.03431	100.0
69.07081	0.6
70.03764	1.0
70.06588	0.4
70.71667	0.5
70.72037	0.7
71.05003	0.4
73.02909	0.3
79.05513	0.6
81.03431	1.1
81.07065	0.7
83.04979	0.5
83.08624	0.5
85.02908	4.4
89.03924	1.0
91.03966	0.4
91.05525	0.8
93.07052	0.6
95.04977	0.4
95.08624	1.2
97.02911	2.0
97.06536	0.4
98.97606	0.5
104.99019	0.3
105.07022	0.9
107.08595	0.9
109.02901	0.5
109.06527	0.7
109.10167	1.4
111.04455	0.3
111.08082	2.5
114.10295	0.7
116.98622	0.5
117.03381	2.0
119.08574	0.8
121.10158	0.7
123.04433	0.4
123.08109	0.6
123.11716	1.2
125.09626	0.6
127.03931	1.3
129.07007	0.4
131.04903	0.3
133.10162	1.0
134.99643	0.4
135.11665	0.6
137.05978	0.9
137.09596	0.8
144.06555	0.4
145.02826	3.2
145.03653	0.3
145.04982	0.5
147.04326	0.3
149.01227	0.4
149.02318	0.4
149.06052	0.4
151.11230	0.4
167.03580	0.5
167.07053	0.6
175.14792	0.9
177.00603	0.3
177.05486	5.4
178.05794	0.4
178.95914	0.3
181.04909	0.6
182.05396	0.3
193.15889	68.7
194.16217	1.4
211.16937	25.3
220.10493	0.4
231.08601	0.4
237.02823	0.3
255.96474	0.3
340.15881	0.4
369.10565	0.5
372.15472	0.5
387.11163	0.4
390.16171	0.8
390.27274	1.6
391.10056	0.6
397.90930	0.3
409.41208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
55.05512	7.0
57.03434	1.3
57.07059	3.4
57.52597	1.0
59.04985	1.0
61.02916	1.8
62.31858	0.9
67.05505	15.9
69.03440	6.2
69.07071	20.1
70.89563	2.1
71.04984	2.4
72.08140	0.9
75.20130	0.9
79.05471	2.7
81.03417	1.9
81.07057	17.0
82.04861	1.1
83.04983	10.1
83.08617	6.9
85.02902	12.9
85.06526	3.2
91.05472	3.1
93.07044	6.1
95.04955	2.4
95.08607	36.5
97.02872	3.1
97.06538	2.3
97.10165	3.4
99.08090	10.8
105.07047	8.8
107.08588	18.2
109.02876	1.4
109.06533	6.2
109.10157	100.0
110.10491	1.2
111.08073	4.5
113.09634	2.6
119.08582	41.9
121.10140	17.8
123.08064	16.6
123.11713	13.5
125.09632	1.6
133.09119	1.3
133.10130	30.1
135.11691	83.0
136.12065	1.6
137.09608	24.2
139.11179	3.1
145.04967	2.8
147.11703	2.6
149.02440	1.0
149.13274	9.2
151.11168	8.2
151.14821	10.3
153.12762	1.2
165.16405	4.3
175.14827	75.3
193.15883	87.6
194.16220	1.2
195.74684	1.0
201.05028	0.9
211.16931	85.8
212.17245	1.1
217.13318	1.5
242.49094	0.8
296.02863	1.1
313.54547	0.9
372.65240	0.9
373.22293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93082	0.9
56.96567	62.1
67.05483	1.9
69.07057	3.2
69.47383	8.3
71.95251	5.4
72.96046	2.2
74.97610	1.7
79.05488	1.5
81.07040	3.0
83.51633	1.0
84.96027	2.1
88.07625	0.9
97.96873	1.2
98.21474	1.7
98.76573	0.8
98.97578	1.4
107.08612	1.0
110.97613	1.6
115.00687	1.3
116.98606	2.1
119.08612	1.0
121.10154	1.0
123.01177	2.4
128.98604	5.5
137.02768	2.0
139.00665	1.3
141.02220	2.0
146.99675	6.5
149.02364	1.7
153.02228	1.7
155.03783	3.7
157.01743	1.6
159.03281	2.7
160.11192	1.1
165.00813	1.7
165.02159	1.0
167.03804	2.0
169.01733	2.1
171.03256	7.4
173.04857	3.1
175.02841	1.1
177.04433	1.3
181.05367	1.3
183.03304	1.5
183.06886	1.3
185.04848	8.2
187.02789	2.0
187.06360	1.7
189.04370	11.3
191.05890	1.6
195.06883	2.7
197.04823	1.0
197.08565	1.0
199.06413	8.4
201.04337	2.0
201.08002	1.0
203.05908	13.5
203.07658	1.3
207.05202	1.5
207.06995	1.5
209.04817	2.0
211.06465	4.8
213.07988	15.0
217.05466	0.8
217.07462	16.0
219.09286	1.0
221.06783	1.8
221.08655	1.9
222.07918	1.4
225.07941	9.8
227.05971	1.3
227.09554	3.1
229.07541	2.3
231.06924	1.7
231.09036	22.2
236.09604	2.3
237.08028	4.1
239.09576	7.6
241.07559	1.0
241.11134	1.7
243.06641	1.6
243.09030	7.6
245.10594	4.8
248.09700	1.1
249.08005	6.8
251.09515	14.6
254.10422	1.9
255.09036	25.9
257.10623	5.9
259.12164	2.4
265.07715	1.1
267.09042	38.0
268.09286	1.7
269.10605	100.0
270.10922	2.2
273.10098	22.4
275.13147	1.0
275.20279	1.0
278.10623	4.7
279.08978	1.9
280.09570	1.3
285.10104	57.1
286.10629	1.2
287.11664	47.4
288.12021	2.1
290.10715	5.0
292.12198	25.5
293.12524	2.0
296.11667	2.8
297.10117	1.5
302.11182	1.0
303.11160	5.1
307.15469	1.6
308.11700	10.3
310.13260	5.6
313.14746	1.3
331.07907	1.3
331.15778	8.9
349.16870	32.9
350.17276	2.1
354.17270	1.0
359.07477	2.4
367.17932	72.8
368.18311	4.7
372.18512	3.9
372.28976	2.9
385.18964	10.0
390.19446	20.9
390.30453	1.2
390.35938	1.5
391.20020	1.4
408.20822	1.4
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	23.2
69.07059	3.3
69.18331	2.7
69.57678	2.7
71.12894	2.9
71.58013	3.3
79.05508	4.6
81.07040	8.5
84.85847	2.6
95.08582	3.6
98.63261	3.1
106.59281	2.8
109.02915	3.2
117.07072	2.9
127.03825	2.5
128.98564	4.2
133.10210	4.1
137.35251	3.0
146.99661	6.2
149.02350	5.0
199.06488	7.7
201.94897	3.6
203.05891	5.8
211.06357	3.1
211.46742	2.9
217.07535	7.5
231.09071	3.6
251.09708	4.9
269.10364	22.9
281.77866	3.3
287.11752	16.7
292.12244	6.2
306.06686	3.3
310.13382	4.4
331.15851	27.3
332.15845	3.7
349.16861	100.0
350.17099	8.7
360.08154	3.4
367.14099	4.3
367.17917	29.3
372.18463	4.2
390.12451	6.8
390.19662	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	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
56.96568	59.0
58.50174	1.2
61.02929	1.4
64.09184	1.3
67.05517	1.2
68.00072	1.3
69.07069	1.5
70.00915	7.1
71.95248	6.2
72.96039	2.5
74.97604	2.5
79.05486	2.5
81.07075	2.7
93.69855	1.1
97.96820	1.6
98.38433	1.2
98.87829	1.4
98.97550	1.2
109.11260	1.2
110.97581	2.0
115.00652	1.9
115.75633	1.2
116.98600	2.0
117.43893	1.2
123.01199	2.4
127.91323	1.2
128.98624	5.4
133.10101	1.5
137.02744	2.0
139.00638	2.2
145.01733	1.4
146.99673	7.4
152.00128	1.7
153.02171	1.8
155.03777	3.7
157.01706	2.3
159.03247	1.6
160.11203	7.9
161.01030	1.4
165.02184	1.5
167.03796	2.1
169.01704	3.7
169.05418	1.7
171.03281	7.4
172.11183	2.9
175.02788	1.8
185.04866	8.2
186.12849	1.6
189.04279	8.0
191.05846	1.5
195.06932	2.3
197.04883	2.1
199.06425	11.1
201.04298	2.4
203.05896	12.9
207.06947	2.1
211.06461	5.0
213.07996	8.7
214.16101	1.4
215.05936	1.3
217.05544	2.4
217.07481	18.8
225.07919	7.7
227.09572	3.8
228.17447	2.1
229.07477	3.8
231.06996	2.9
231.09012	13.7
237.04485	2.3
237.08073	5.4
239.09592	4.8
241.11075	2.3
243.09068	5.4
245.10632	5.8
249.08023	5.7
251.05789	1.7
251.09395	6.6
253.07303	1.4
255.09016	24.8
257.10626	3.0
259.12241	5.5
263.09561	1.5
267.09018	38.9
269.10587	59.6
270.10980	1.8
273.10110	23.7
275.38419	1.3
278.10709	5.0
279.08969	1.8
280.09879	1.7
285.10120	66.4
286.10663	2.4
287.11658	24.2
290.10736	3.2
292.12155	11.6
296.11761	2.5
302.21265	2.0
303.10977	7.1
307.15848	2.0
308.11716	7.5
310.13074	2.3
331.15891	11.8
333.19647	1.4
349.16855	50.9
350.17099	2.4
354.27823	2.4
367.17947	100.0
368.18280	2.8
372.18716	6.1
372.28995	22.0
385.18921	12.0
390.19363	20.2
390.30078	10.8
391.19565	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.5
56.96296	1.3
56.96566	22.9
57.03418	1.6
57.07064	5.5
58.06596	1.3
61.02920	2.3
63.65862	1.2
63.86232	1.2
67.05490	3.2
69.07056	2.2
70.06602	16.0
70.14811	4.4
71.08603	3.3
71.95283	2.5
81.07040	4.5
84.96029	1.6
85.02897	2.5
85.10201	1.5
88.07631	19.0
91.03934	1.5
91.05471	1.4
93.07008	1.4
95.08575	1.8
97.96787	1.6
98.97565	1.6
102.09189	12.1
107.08624	2.2
110.97640	1.4
115.97847	2.1
119.08549	1.5
121.06514	1.3
123.04468	1.7
128.98596	5.4
131.08478	1.5
132.10216	1.9
146.99666	5.8
149.02299	1.9
155.00154	1.6
160.00519	1.7
173.01260	1.7
185.04826	1.7
185.98354	2.5
187.02905	1.9
189.04301	3.8
199.06395	2.2
201.04230	1.4
203.05925	3.5
213.08028	5.3
215.02383	2.7
217.07489	5.4
227.05864	2.3
229.07375	3.3
231.08948	6.3
236.09616	1.8
239.09602	2.8
241.11133	10.8
242.08247	1.6
255.08990	1.5
257.07001	5.5
257.10632	2.8
258.07706	4.4
259.12180	17.0
260.09348	2.2
260.12827	1.3
264.12805	2.6
269.10406	2.6
279.09265	2.1
280.09912	3.4
281.09247	1.6
284.29486	50.6
285.10150	3.8
297.10071	3.9
298.10840	5.6
316.11951	4.1
331.15811	10.3
349.16858	64.8
350.17300	4.1
367.17944	100.0
368.18359	6.1
372.18558	4.5
372.34760	2.5
385.19135	7.8
390.19412	36.3
390.35809	88.9
391.19659	3.4
391.24487	2.4
394.46725	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61141	1.1
53.03928	1.7
56.96555	2.1
60.04528	2.1
61.02946	1.5
61.08729	1.1
69.03419	5.8
70.06594	3.0
70.95325	2.8
72.08160	1.5
73.02906	1.1
80.63248	1.1
81.03431	3.8
83.04982	1.9
84.04508	2.2
85.02913	8.5
86.09698	4.4
95.04988	6.1
97.02898	4.3
98.07180	1.5
98.97592	4.5
109.02891	2.9
111.04462	6.3
116.07121	1.5
116.98634	4.6
122.18652	1.1
123.04410	8.2
127.03924	2.6
128.98697	1.3
129.05479	3.2
132.04459	17.7
133.04851	2.6
134.99660	3.3
135.04424	2.1
137.02350	69.3
137.05936	1.7
138.02637	1.5
139.03932	3.9
141.05453	1.1
143.92886	1.2
147.04373	1.2
147.06509	2.9
148.03964	2.4
149.04742	2.3
150.05522	1.5
153.05424	2.1
157.04967	2.2
158.99683	3.0
164.03442	50.3
164.07097	4.9
165.03908	1.4
167.07066	1.9
174.99089	1.6
177.00789	3.1
178.05014	3.7
179.05786	79.8
180.06357	2.7
181.04985	2.2
192.06598	6.4
193.07045	7.3
193.08598	1.3
196.06075	45.3
197.06458	1.3
205.03719	1.4
207.63646	1.2
210.07629	100.0
211.07980	2.4
215.31929	1.2
219.01733	2.8
228.10516	1.7
237.02744	5.5
294.65405	1.4
326.08603	1.7
331.07025	1.7
349.07925	3.0
355.10422	3.2
363.16721	1.3
373.81415	1.4
390.13791	3.9
391.11121	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	390.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31555	0.8
53.03943	1.2
53.94397	0.8
56.05048	0.9
61.02909	1.9
62.55341	0.8
67.05506	1.1
68.05016	0.9
69.03107	0.9
69.03436	5.5
69.07063	1.3
70.06587	2.7
71.04966	1.6
71.58737	0.9
71.59472	1.1
72.65239	0.9
73.02914	1.8
79.05481	2.6
81.03418	2.9
81.07044	2.8
82.06567	3.0
83.04957	1.0
83.08600	1.1
84.30610	1.1
85.02516	1.0
85.02921	12.8
86.09679	1.5
87.04475	1.2
87.30260	1.0
91.05466	4.2
93.07043	2.2
95.04954	2.0
95.08604	1.3
96.04477	1.2
96.08126	1.2
97.02905	4.7
98.97632	1.0
99.04437	1.8
100.16475	0.9
100.66256	0.9
105.07062	5.1
107.04934	1.3
107.08591	1.3
109.02876	2.7
109.06512	1.6
109.10192	1.5
109.19712	0.8
110.06025	1.9
110.07184	4.5
114.21782	0.9
120.08095	1.2
121.06521	4.5
121.10114	1.1
122.06018	3.8
123.04448	0.9
124.07596	31.5
127.03932	3.3
128.07066	2.6
129.07114	0.9
133.06459	3.6
133.10141	1.0
134.99590	1.1
135.11671	1.0
136.07581	1.6
137.05995	8.2
137.09627	1.1
138.09151	3.0
139.07536	1.9
140.07095	5.1
142.08609	1.0
145.04979	2.7
146.09702	1.2
147.04414	1.6
147.08115	1.2
148.07657	0.9
149.02339	1.0
149.05989	2.2
152.07076	5.2
153.05432	1.3
154.08629	1.7
156.07614	1.4
157.06494	1.1
161.06015	6.7
162.09161	2.7
164.10722	1.2
165.09097	4.1
166.08618	4.4
167.07063	2.0
169.05093	1.1
174.09171	2.6
175.07500	1.1
177.05493	3.7
179.07036	1.0
184.09688	22.5
192.10197	12.2
193.04955	1.2
193.08615	6.8
193.10432	1.5
210.11282	4.1
211.09642	2.7
224.06613	2.0
228.12325	100.0
229.12595	1.7
248.07190	1.0
274.05374	1.0
390.13107	1.5
390.18048	23.3
391.15298	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
56.96581	5.8
57.03429	1.0
61.02919	1.0
66.93203	0.6
67.05527	3.2
68.81290	0.6
69.03435	0.7
69.07076	1.9
70.06590	1.1
71.33783	1.4
79.05496	2.3
81.03411	1.5
81.07082	3.2
85.02915	1.1
91.03942	0.6
91.05477	1.8
93.07056	1.2
95.04968	0.7
95.08614	1.3
105.07035	1.0
107.08655	0.9
109.10103	1.3
119.08602	1.2
121.10092	0.7
133.06419	0.7
143.01852	0.8
146.99593	0.7
149.02353	2.5
149.03491	0.7
160.11194	0.6
177.00261	1.3
182.50943	0.6
184.41704	0.6
185.04967	0.7
193.04996	2.0
211.06378	0.7
213.08012	0.9
217.02649	1.0
217.07535	1.2
229.07515	1.9
231.09035	0.9
243.09155	0.7
247.08566	1.7
255.09048	1.1
261.05280	0.9
266.90778	0.7
267.08890	1.1
285.10071	0.9
287.11682	1.2
292.76215	0.7
331.15839	0.8
349.16867	9.2
367.17990	7.3
371.27728	1.8
372.18594	1.0
389.23019	100.0
390.19498	1.8
390.23825	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	389.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.02988	0.9
55.05508	1.5
65.03930	0.6
67.05495	1.1
69.07059	0.8
69.87828	0.4
70.06593	11.6
71.04980	0.5
71.57747	0.8
72.05636	1.2
72.08157	21.7
74.54525	0.4
75.98220	0.4
79.05486	1.1
81.03429	1.3
81.07045	1.7
85.02932	0.5
87.73293	0.4
91.05474	1.1
93.07040	1.1
95.04985	0.7
95.08605	1.5
97.06590	0.5
97.07654	13.6
97.10128	0.6
103.05444	1.2
105.07018	1.1
107.04933	1.3
107.08591	1.1
111.04435	0.7
112.08738	6.7
114.10292	100.0
121.10113	0.7
123.04435	0.9
129.06966	0.8
131.04926	1.8
131.08553	0.5
133.10123	0.5
137.05978	3.7
138.06279	0.7
139.06464	0.5
145.06531	0.6
145.10143	0.7
149.05923	0.9
152.14276	0.7
156.07669	0.5
161.05919	0.5
163.07465	0.9
167.07037	3.7
171.06522	0.6
174.06660	0.6
175.07562	1.6
177.05522	2.4
180.17415	0.8
181.04979	6.1
189.07298	0.4
189.09103	1.1
209.08092	3.7
217.08531	0.7
219.10153	1.1
229.07574	0.5
232.20573	2.8
258.09521	0.5
285.10117	0.9
291.25436	18.2
335.24344	3.9
339.12277	1.3
362.25485	3.3
371.14914	1.9
389.15805	4.6
389.21472	0.5
389.26639	1.2
414.49380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2689
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03949	10.3
55.05510	18.5
57.03437	9.1
67.05504	30.1
69.07073	17.1
69.56680	28.6
69.57104	13.8
70.47360	4.5
71.04992	44.9
79.05489	15.3
81.03410	14.0
81.07060	38.6
81.17355	4.7
83.04992	10.3
83.08631	10.1
83.85543	5.1
91.05480	33.1
93.07040	20.2
95.04992	9.5
95.08595	21.4
98.20745	9.2
105.07037	24.3
106.28747	4.8
107.04963	9.0
107.08579	13.9
109.06543	6.5
109.10143	12.8
117.07005	11.4
117.83623	5.9
119.04963	7.4
119.08579	16.3
121.06532	7.7
121.10183	11.4
123.08086	5.7
128.06186	5.4
129.06979	12.2
131.08557	15.9
133.06500	10.0
133.10138	10.7
134.42993	4.9
135.08104	12.1
143.08562	6.7
145.06401	8.4
145.10150	15.2
147.08109	8.9
148.41104	5.7
149.09613	7.7
151.07538	6.4
157.10158	11.0
159.08078	9.2
159.11731	13.2
161.09648	10.5
171.11719	9.6
173.09644	13.5
175.11182	8.1
187.11197	9.7
215.14258	6.8
267.17432	5.3
283.20599	7.1
285.18484	17.4
297.22131	4.9
300.15939	5.4
301.21765	24.5
303.19653	12.8
343.26303	6.3
353.24741	14.6
371.25827	100.0
389.12183	5.7
389.26663	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	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03932	2.6
55.01870	3.7
55.05513	6.9
57.03423	4.6
57.07068	2.7
61.02929	3.4
67.05505	10.3
67.38763	1.5
68.14189	1.8
69.03432	10.8
69.07066	5.6
69.92220	9.4
69.92629	3.2
71.04989	21.3
72.04998	1.6
73.02906	3.2
79.05489	9.9
81.03431	6.6
81.07068	16.0
83.05003	3.5
83.08616	6.4
84.04543	1.6
85.02906	35.9
85.06556	12.8
91.05465	14.6
92.66902	2.3
93.07039	14.8
95.04967	22.2
95.08611	17.0
97.02892	10.7
97.06521	19.1
97.10247	2.1
98.21425	2.2
99.04454	62.9
99.08092	5.6
103.05485	2.4
105.07031	20.8
107.04942	3.7
107.08596	32.6
109.02887	3.6
109.06522	32.5
109.07244	2.3
109.10160	17.1
111.04365	1.7
111.08086	4.6
113.09663	4.1
115.07613	4.5
117.07034	2.3
119.08575	11.5
121.10152	26.0
123.04379	2.3
123.08077	12.9
123.11717	8.7
124.07581	3.9
125.09634	5.6
127.03904	5.5
127.07540	2.3
131.04929	3.5
131.08557	15.1
133.10132	100.0
134.10481	2.8
135.08081	6.9
135.11652	9.2
137.05995	7.0
139.11130	4.5
145.04938	3.0
145.10133	6.0
147.11665	27.3
148.82108	1.9
149.09654	3.8
149.13264	10.8
151.07610	1.8
151.11169	8.5
153.05522	2.3
153.09100	15.3
158.10965	1.9
163.03868	1.9
163.07613	1.9
163.11171	3.6
163.14838	10.3
165.12808	4.7
167.07016	9.7
167.10674	2.4
169.12196	12.9
171.10167	2.3
173.13252	34.3
174.06738	1.9
175.07549	3.5
177.05489	2.5
181.04997	6.9
183.13808	17.1
185.11832	2.6
191.12653	1.7
191.14301	49.4
192.14659	2.4
205.08673	2.0
209.08215	2.0
209.15370	76.5
210.15710	3.3
219.10120	3.0
227.16420	89.7
228.10236	5.4
277.08527	1.8
371.15121	2.1
377.75201	1.8
389.21759	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01882	2.4
55.05513	2.0
56.96568	1.9
57.03438	2.3
57.07068	0.9
58.99607	1.3
59.04986	2.2
61.02925	2.8
67.05499	4.7
68.05020	0.9
69.03431	4.4
69.07071	2.6
70.06596	3.8
71.05001	4.5
71.14663	1.7
71.15009	1.1
71.92447	0.8
72.08131	1.7
73.02943	1.6
79.05507	4.3
81.03431	2.7
81.07065	8.9
83.04997	4.5
83.08612	1.4
84.04508	3.4
84.08137	2.4
85.02913	14.6
85.06551	1.7
86.09709	2.2
87.04491	1.9
88.89906	1.0
91.05479	6.6
93.07053	5.9
95.04982	16.1
95.08630	3.6
97.02914	5.3
97.06566	5.1
98.97617	2.4
99.04464	4.0
99.08081	4.8
101.02383	1.1
103.03912	1.2
105.07029	5.4
107.04972	2.5
107.08611	7.0
109.02883	2.2
109.06512	6.1
109.10172	19.1
111.04463	2.0
111.08086	1.3
115.07565	5.5
116.01697	5.4
116.98631	2.5
117.07037	1.4
119.04983	1.3
119.08590	3.9
121.06517	1.1
121.10154	9.3
122.38478	1.0
123.04411	1.5
123.08113	2.3
123.11720	2.6
124.07623	1.3
125.09650	1.1
127.03936	15.0
127.04835	1.7
129.06987	1.8
130.05035	1.7
131.08585	2.9
133.06442	1.1
133.10135	16.8
134.99669	1.2
135.08089	3.9
135.11719	1.7
137.02393	1.1
137.06003	3.6
139.03922	1.3
139.11217	1.9
142.03212	1.3
142.04997	1.6
143.03448	2.1
144.01138	2.0
145.05013	2.2
145.10199	1.5
147.08095	4.2
147.11736	2.9
149.02429	1.2
149.06010	1.4
149.09627	1.6
149.13278	2.0
151.03912	2.3
151.11226	3.0
153.01901	2.6
153.05513	3.0
153.09131	8.5
161.05994	2.1
162.02161	2.3
163.04002	2.1
163.07549	1.9
163.14856	2.3
165.09219	1.9
165.12805	1.2
167.03516	2.9
167.07085	8.8
168.07446	2.8
169.04907	1.0
169.07607	2.0
169.12238	1.3
173.13239	7.3
174.13528	1.1
177.00748	1.3
181.04951	9.1
182.06416	1.9
185.08157	2.0
189.05609	1.3
191.14336	13.5
193.05006	3.4
193.08725	1.4
203.05284	2.3
203.07159	1.7
205.05043	2.4
207.09808	1.0
209.04446	10.8
209.11546	3.9
209.15411	22.7
209.17337	1.8
210.11227	2.5
211.09715	1.2
211.11682	2.6
223.05983	1.4
226.11046	1.1
227.05475	5.7
227.09146	2.3
227.12762	5.4
227.16374	9.2
228.06892	2.3
228.12523	1.8
231.06583	1.2
291.06561	2.7
293.09106	1.0
300.50891	1.0
303.56012	1.0
337.05768	1.2
389.17877	100.0
390.18283	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	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05511	4.4
57.07074	1.5
60.84359	1.1
67.05493	3.6
68.99778	1.3
69.03432	12.2
69.07063	4.0
70.03731	6.3
71.04999	1.6
73.67074	1.0
79.05501	1.7
81.03413	1.1
81.07054	3.9
83.04967	5.8
83.08596	2.9
84.04505	1.1
85.02906	7.0
85.06530	2.0
91.05476	1.8
93.07034	6.6
95.04951	1.1
95.08620	6.9
97.02920	1.5
97.06528	2.2
97.10165	3.7
99.08101	6.4
105.07035	3.2
107.08592	14.2
107.68380	1.1
109.02890	1.3
109.06509	3.6
109.10168	8.4
111.08084	4.8
113.05977	1.6
119.08557	1.7
121.06487	1.2
121.10135	10.8
123.11682	3.2
125.05997	2.0
125.09632	53.2
133.10118	2.4
135.08055	7.2
135.11708	1.6
136.77724	1.1
137.09590	2.9
139.07574	1.4
145.04956	1.4
145.10117	1.3
147.11685	2.4
149.09622	63.9
149.13295	5.2
150.09949	1.5
151.11182	15.5
153.09125	11.7
154.09871	1.6
161.05983	1.4
163.14824	9.4
165.12782	2.7
167.10648	1.9
170.39413	1.1
171.10176	1.2
173.13245	5.4
179.06952	1.0
191.14311	26.8
191.16037	1.3
199.42229	1.2
208.35365	1.0
209.15375	100.0
210.15738	4.1
219.28618	1.0
227.16417	10.3
255.11241	1.1
370.12280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03943	1.7
55.05511	2.2
57.03439	3.6
59.05006	2.4
61.02930	3.2
64.71810	1.7
67.05507	5.5
69.03424	13.1
69.07067	4.1
70.06595	3.8
71.04995	29.5
71.05366	2.7
71.14957	4.0
73.02923	3.1
79.05466	3.1
81.03415	3.9
81.07053	9.6
83.04996	1.9
83.08610	4.0
85.02908	30.5
85.06540	12.5
86.09732	1.9
86.51948	1.8
91.03926	1.9
91.05490	5.7
93.07054	9.6
95.04968	7.9
95.08613	12.5
97.02901	6.1
97.06548	7.4
99.04458	100.0
105.07041	10.8
107.04952	2.1
107.08590	23.0
109.02921	2.5
109.06535	9.9
109.10167	12.1
111.08092	2.8
113.09653	3.4
117.49908	1.5
119.08598	6.8
121.02896	1.8
121.06519	1.7
121.10155	12.9
123.04410	2.3
123.08063	12.8
123.11701	10.8
125.06050	1.5
125.09638	5.3
127.03932	5.3
127.07663	1.5
131.08591	6.3
133.06487	2.1
133.10135	52.2
135.08052	3.2
135.11713	5.7
137.05997	1.9
139.11201	5.0
145.04977	3.3
145.10112	4.1
147.11644	7.2
149.09642	5.8
149.13264	8.3
151.07538	12.3
151.11214	11.4
153.08063	1.7
153.09151	4.7
158.10995	2.1
163.11252	3.0
163.14868	8.0
165.09186	2.8
165.12793	4.7
167.07079	5.2
167.10724	3.4
169.12263	21.5
173.13245	21.3
183.13835	22.9
191.14311	28.0
193.08578	11.0
207.13943	3.0
209.15399	35.4
211.09659	8.6
219.10178	1.9
227.16429	94.0
228.16830	4.6
233.05634	1.7
235.09706	4.0
242.97163	1.4
255.02898	28.4
256.03256	3.7
371.15057	2.6
389.21191	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	389.1599
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
55.01876	28.7
55.05508	10.4
56.96563	7.2
57.03405	5.2
65.03938	12.9
67.05508	13.1
69.03410	7.2
69.07066	8.7
70.06584	6.7
71.59668	5.3
71.60085	4.9
79.05492	14.7
81.03431	11.2
81.07066	18.4
82.04180	6.6
83.04988	9.2
85.02910	18.8
91.05500	24.7
93.07068	13.2
93.86307	4.8
95.04986	14.0
95.08617	9.4
97.02885	9.4
97.06552	5.6
99.04463	4.8
103.05480	11.0
105.07050	15.2
107.04967	14.1
107.08610	13.4
109.02889	7.1
109.06507	5.3
109.10175	6.8
110.03662	8.5
111.04482	11.7
117.06988	9.8
119.04951	8.7
119.08588	7.2
121.02879	5.9
121.06504	11.0
121.10150	7.9
123.04462	11.9
123.11723	6.5
125.05991	7.1
128.06232	5.9
129.07050	15.7
130.50266	4.9
131.04948	20.5
133.10185	9.0
135.08124	4.8
137.05998	55.5
137.09750	5.4
138.06386	5.0
142.03253	7.4
145.06441	7.6
147.04417	14.2
149.05972	9.7
151.07553	10.2
153.05498	23.9
154.01176	4.9
157.06459	8.1
161.06114	5.2
163.07574	10.2
165.05492	7.5
167.07047	47.5
169.06549	5.7
171.06575	9.5
174.06828	7.9
175.07581	43.3
177.05492	49.3
177.09315	5.5
181.04977	100.0
181.06493	12.2
181.08694	5.7
183.06593	10.3
187.07675	11.4
189.09096	14.9
191.07050	7.8
195.08238	5.3
195.10222	9.1
201.09157	6.8
202.53769	5.5
207.06563	8.6
209.08083	53.4
217.08510	6.1
219.10168	58.0
227.10638	6.0
235.07430	4.9
240.07817	7.1
249.09196	16.4
253.08592	8.1
261.09152	14.1
264.07544	5.8
265.08627	9.2
269.08115	6.1
277.08621	19.7
278.09308	6.2
279.10022	10.3
284.10519	5.9
299.12717	6.9
307.09766	5.9
309.11331	12.8
313.10788	11.6
321.11169	7.4
327.12317	34.3
339.12445	30.3
341.13901	11.5
348.06815	5.8
359.14865	46.7
371.15039	46.7
389.15952	69.5
389.20343	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	389.1595
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03926	2.9
55.01878	34.0
55.05508	4.5
55.89686	1.9
57.03417	2.9
58.94764	1.8
63.11523	2.1
65.03933	10.9
67.05489	8.3
69.03415	4.8
69.07043	3.8
70.74623	6.8
71.04990	5.1
72.58122	1.8
79.05469	8.9
81.03404	5.6
81.07058	11.9
83.08607	3.6
84.11188	1.7
85.02911	11.9
88.67022	1.6
91.05477	10.9
93.07034	7.3
95.04950	9.0
95.08606	7.8
97.02865	5.5
97.06510	3.2
99.04459	12.0
103.05471	13.3
105.07017	7.1
107.04962	10.3
107.08563	5.5
109.02865	5.8
109.06532	4.6
109.10162	4.9
110.03673	4.5
111.04440	4.2
117.06990	2.9
119.04989	2.8
119.08538	4.0
121.06508	5.0
121.10159	4.4
122.03635	3.9
123.04418	10.0
123.11642	3.4
125.05968	2.7
125.09603	2.1
127.03868	2.2
128.06195	4.3
129.07030	9.8
131.04919	17.5
131.08597	3.2
133.06500	3.0
133.10112	4.6
135.11673	3.0
137.05974	42.8
139.13037	1.9
140.04686	2.6
145.06485	4.2
147.04375	2.6
147.08090	2.5
149.05965	13.0
149.09665	2.5
151.03960	3.3
151.07552	4.1
153.05481	5.9
155.07042	2.8
157.06465	10.4
159.04395	3.4
159.08029	3.9
160.05231	4.9
161.05972	5.6
163.07547	7.0
167.07057	28.4
171.06526	8.4
173.06024	2.0
173.13306	3.8
174.06827	3.5
175.07547	28.0
177.05473	35.4
179.07057	2.2
181.04971	100.0
183.06514	6.3
183.13792	2.2
187.07588	4.7
189.09061	11.5
191.07039	3.9
193.08647	3.2
195.10184	5.3
201.09050	5.4
209.08089	60.9
209.15375	2.2
210.65375	1.9
217.08586	7.8
219.08183	3.6
219.10147	11.8
221.08029	2.1
226.17984	7.2
227.16338	9.4
227.18387	11.7
248.08325	2.2
249.09181	3.1
261.09064	3.4
277.08691	9.5
279.10257	2.9
291.10059	2.8
293.11652	3.1
309.11237	5.8
309.15121	2.2
311.12408	3.4
321.11215	3.2
327.12521	2.2
339.12262	16.2
341.13788	7.7
353.13803	3.1
359.14825	2.9
371.14865	20.8
389.15988	64.0
390.16348	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	389.1231
Annotation	3'-Demethylnobiletin
Peak:m/z	Relative Intensity
58.16756	0.7
62.56836	0.6
70.08349	3.3
79.05463	0.6
81.07043	0.6
107.05017	0.8
111.13450	0.6
147.04430	0.7
148.66872	0.6
167.03415	5.0
193.05066	0.7
215.07045	0.7
221.99890	0.6
231.06522	0.7
233.04506	1.1
236.78416	0.7
242.05823	0.6
243.06558	2.4
256.03769	1.0
257.04459	0.7
257.08194	2.5
259.06000	0.8
260.06952	0.8
269.04681	0.6
270.05307	0.8
271.06015	3.9
273.03836	1.5
274.79996	0.7
284.03387	1.0
285.07474	3.0
287.05594	1.6
288.06302	3.6
295.05856	0.8
299.05566	5.5
301.03540	1.3
301.06985	0.9
303.08597	3.8
313.03485	1.0
313.06976	6.6
314.04083	1.3
316.05750	5.5
327.05020	9.4
328.05737	4.1
328.09402	1.3
329.06381	1.7
331.08109	6.0
341.06763	0.8
343.08051	5.9
344.05286	1.4
355.08499	0.8
359.07635	37.9
360.07996	1.9
373.09177	1.0
374.09979	16.4
375.10291	1.2
389.12326	100.0
390.12711	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	389.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.7
57.03438	0.4
65.03946	3.4
67.05509	0.5
69.03429	0.6
69.42593	3.0
79.05498	0.9
79.59039	0.3
81.07080	0.5
83.04993	0.4
85.02922	1.7
91.05487	100.0
92.05781	1.8
93.03410	0.8
93.07088	0.4
95.04989	0.7
95.08598	0.6
97.02884	0.7
103.05486	1.0
105.07032	1.0
107.04963	0.7
119.04964	0.5
121.06532	0.4
121.10153	0.5
121.71809	0.3
122.03699	0.4
125.05962	0.6
128.06157	0.4
129.07040	1.2
131.04930	1.7
131.08516	0.4
133.06496	0.5
133.10135	0.7
137.05986	4.8
145.04990	0.4
145.06548	0.4
147.04428	0.6
149.02374	1.2
149.05916	0.6
157.06522	0.7
158.07146	0.4
159.04417	0.5
161.02409	0.8
163.07555	0.8
167.03391	4.5
167.07103	1.8
171.06555	0.7
174.06766	0.7
175.03946	0.7
175.07588	1.4
177.05440	2.0
179.03445	0.6
181.01402	0.4
181.04970	4.1
181.08597	1.1
183.06567	0.7
187.07600	0.5
189.09128	1.9
191.03438	1.2
199.03859	0.4
201.09085	0.8
203.03392	1.8
209.08022	2.1
209.15401	0.5
215.03508	1.4
218.07240	0.4
219.08263	0.7
219.10130	2.7
221.04463	0.7
221.07922	0.4
227.10783	0.4
233.04446	2.3
234.06731	0.7
237.09125	0.5
239.07036	1.8
245.04521	1.4
247.07750	0.7
249.09172	0.7
250.29800	0.4
251.07068	0.9
257.08127	3.7
261.09122	0.9
265.08594	0.7
269.08075	0.7
275.10611	0.5
277.08566	2.1
281.06650	1.1
293.08093	6.8
293.11334	0.5
294.08597	0.7
299.07736	0.8
305.08228	0.7
307.09698	0.5
309.11261	0.8
311.09177	5.1
321.11594	0.5
323.09128	7.6
324.09570	0.4
335.09137	4.1
339.12302	2.5
353.10248	8.0
353.14484	0.7
371.11108	2.1
371.15274	2.8
371.44116	0.4
389.11581	1.9
389.16452	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1082
Annotation	Ixoside
Peak:m/z	Relative Intensity
53.03938	2.0
55.01871	8.9
55.05504	1.7
55.53250	0.9
56.96567	1.3
57.03431	4.4
58.99598	1.0
59.04990	3.8
61.02924	2.7
66.98450	0.9
67.05505	3.0
68.05003	1.2
68.99775	1.8
69.03436	7.4
69.07064	1.4
70.06590	1.9
70.72343	1.5
71.04978	3.7
72.08151	2.2
73.02914	4.3
75.05075	0.8
79.05486	2.6
81.03429	4.4
81.07059	8.9
83.04977	2.3
84.04507	2.7
85.02907	25.8
85.06538	2.8
86.06080	1.5
86.09704	2.0
86.99055	1.1
87.04486	4.5
91.05489	4.8
93.07031	4.3
95.04973	25.1
95.08566	2.5
97.02902	9.9
97.06515	2.3
98.97600	2.0
99.04448	10.0
99.08081	4.1
99.08651	1.0
101.02380	6.2
103.03946	4.0
103.05480	1.3
105.07030	4.1
107.04961	2.3
107.08601	6.0
107.40957	1.1
109.02876	5.5
109.06504	2.1
109.10160	11.8
111.04420	1.7
111.08053	1.2
114.05538	1.6
115.05497	1.3
115.07600	2.2
116.01686	5.5
119.04975	2.3
119.08543	3.0
121.02909	1.2
121.10141	2.8
123.04427	5.0
123.08076	2.2
123.11700	5.8
125.02391	1.4
125.05994	2.3
125.09621	1.0
127.03922	100.0
128.04276	1.0
130.05016	2.6
131.04938	1.3
131.08548	2.8
133.06487	1.4
133.10129	24.8
133.11093	2.0
135.04407	1.4
135.11667	1.2
137.05989	6.7
139.03900	5.7
139.11185	1.7
142.03285	1.1
142.05013	3.2
143.03384	10.1
144.01186	1.6
145.04971	3.9
147.04420	2.9
149.02321	1.7
149.05962	1.1
149.09639	1.5
149.13269	2.1
151.03912	11.0
151.11206	5.4
153.01828	16.6
153.02986	1.5
153.05464	8.6
153.09113	11.9
154.86180	0.9
161.06009	2.7
162.02190	5.0
163.03917	10.9
163.07513	3.1
163.14818	1.6
164.07149	1.1
165.05508	1.8
167.03406	16.4
167.07036	4.1
169.04961	2.9
169.12241	3.5
171.02907	2.3
171.04305	1.0
173.13280	7.3
175.04015	1.1
175.07634	1.6
177.05476	5.0
179.03484	1.5
179.14320	1.2
181.04967	65.9
182.05223	2.0
183.06441	0.9
184.07283	1.0
188.03757	1.0
188.05542	1.6
189.07552	1.7
191.03423	3.2
191.14293	12.5
193.04962	13.0
193.08594	1.5
205.04987	9.3
205.08572	1.5
207.06567	2.1
209.04457	98.4
209.15369	27.1
210.11328	2.8
211.09694	1.2
211.11552	4.7
217.04961	1.7
217.99507	1.1
219.06439	1.3
221.04558	2.5
223.06055	3.6
226.12354	1.7
227.05508	40.7
227.12726	4.9
227.16443	3.9
228.06049	1.1
231.06561	4.4
233.04469	4.7
235.06018	2.9
237.02789	1.3
247.06039	3.9
249.07449	2.8
251.05528	4.6
253.07089	3.0
259.05981	2.7
275.05453	3.1
287.05478	1.7
291.06488	5.8
293.06482	2.1
305.06509	2.1
312.63712	1.0
317.06610	1.3
335.07785	1.2
344.12955	1.0
353.08752	1.3
358.08505	1.0
389.13266	1.5
389.17477	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	388.2847
Annotation	Myxalamid C
Peak:m/z	Relative Intensity
55.01850	1.1
55.05505	5.8
56.00581	0.9
56.96558	1.6
57.82463	1.1
63.21651	0.9
65.18077	0.9
67.05504	5.8
69.07070	6.1
70.06585	2.0
71.04974	1.0
71.58092	1.3
73.02899	1.0
79.05492	2.2
81.07052	5.6
83.05022	1.0
83.08593	2.1
91.05473	2.5
93.07025	3.2
95.04951	2.6
95.08624	4.7
97.10152	1.2
105.07010	1.6
107.08598	1.4
109.10159	2.2
119.08587	2.6
121.10143	1.4
123.08057	1.0
130.06577	1.8
131.07318	9.1
133.10141	2.1
143.07289	1.5
144.08083	3.5
145.08838	3.3
156.08127	2.1
157.08852	3.4
158.09595	1.9
159.10437	1.7
160.11229	28.2
169.08780	1.6
170.09593	4.9
171.10403	2.5
172.11208	25.0
172.12675	1.4
173.12024	6.9
174.12781	4.0
175.11884	1.6
181.04947	1.2
183.10388	1.7
184.11198	3.9
185.11946	3.4
186.12796	8.5
187.92421	1.0
188.14288	1.0
198.12814	11.7
199.13428	1.5
200.14304	4.6
210.12782	1.2
212.14307	9.9
213.15018	2.3
214.15889	7.4
226.15863	11.8
227.16582	2.1
228.17465	2.6
228.36121	1.2
240.17499	2.4
252.05656	1.2
256.20721	1.7
256.26132	1.2
275.20132	1.3
284.20050	9.9
285.20361	1.2
296.20038	1.8
298.21573	1.1
300.19595	1.5
302.21149	12.2
312.19504	2.2
328.22662	1.2
340.22867	1.7
349.16800	4.4
352.26346	14.1
353.26694	1.6
367.17728	1.8
368.26007	2.0
370.27420	100.0
371.27802	7.5
388.28448	95.3
389.23938	1.0
389.28821	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81748	1.2
55.01868	2.7
55.05509	2.4
56.96568	1.1
57.03433	1.5
61.02903	1.0
65.03925	1.4
67.05498	2.7
69.03429	63.6
69.07044	2.6
70.03745	1.2
70.06581	1.3
71.04999	10.6
71.60278	1.7
79.05505	2.7
81.03401	2.8
81.07047	4.0
82.90284	1.1
83.04983	2.9
83.08614	2.8
85.02888	2.7
85.06577	1.0
86.09719	1.2
91.05489	6.0
93.07040	2.1
95.04966	3.1
95.08584	2.0
97.02889	2.6
97.06516	1.2
99.04399	1.4
103.05508	1.6
105.07011	1.5
107.04919	2.4
107.08598	5.3
109.02887	2.2
109.10136	1.5
111.04486	1.6
116.98618	1.6
118.07402	1.1
119.04963	2.3
119.08607	2.4
121.02835	3.5
121.06533	1.1
121.10161	5.9
123.04408	5.1
127.03914	2.1
131.04933	1.4
131.08566	3.4
133.10118	2.8
135.08055	100.0
136.06187	3.9
136.08365	1.7
137.05971	19.7
138.06291	7.1
139.03911	2.6
145.02827	1.3
145.06502	1.1
145.10095	1.8
147.04408	3.1
147.11702	1.4
151.03929	3.8
151.07526	1.7
163.03874	1.5
163.07494	2.2
167.07056	8.8
168.07295	1.4
173.13304	3.0
175.07518	2.2
175.44926	1.1
177.05435	2.7
181.04967	9.9
182.05237	2.2
191.07042	2.8
191.14319	48.8
192.07346	1.8
192.14659	2.1
193.08549	2.5
207.06508	3.4
208.06807	1.6
209.08121	2.1
219.10126	1.8
227.12733	1.4
292.12534	3.2
304.05005	1.3
339.12335	1.3
345.13327	1.8
353.13190	1.2
358.13559	2.3
370.14310	1.5
371.14694	2.0
388.14859	8.1
389.15903	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	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.2
55.05515	13.6
61.02929	8.2
64.14359	5.7
64.24216	6.4
64.29402	6.9
67.05487	18.2
67.36549	6.4
69.03439	32.4
69.07069	13.5
70.06595	14.7
71.04988	17.0
71.32117	13.9
72.08169	13.0
79.05505	14.5
81.03411	15.8
81.07068	40.8
83.04998	7.0
83.08596	11.6
84.04522	8.5
85.02919	43.7
85.78694	6.9
86.09710	15.0
89.96039	5.7
91.05477	34.6
93.07063	22.2
95.04978	28.3
95.08620	19.2
97.02898	11.7
98.97613	7.2
99.04452	39.0
99.45238	7.1
105.07037	21.1
107.04930	8.8
107.08593	22.2
107.53056	6.5
109.02897	15.0
109.06516	16.1
109.10162	16.0
111.77566	8.1
114.10297	7.8
115.05461	6.5
117.07059	6.1
117.85477	7.1
119.08591	17.8
120.35579	5.9
121.10155	19.9
123.04417	7.0
123.08027	14.1
123.11701	22.4
127.03929	15.3
129.07083	7.1
130.06596	7.1
131.04921	10.0
131.08592	12.0
133.06544	10.2
133.10149	100.0
135.08070	19.9
135.54297	7.1
137.05986	35.6
137.09625	59.5
137.13214	6.2
142.05099	6.5
145.78563	6.8
147.11732	12.0
149.09637	12.4
149.13274	16.3
151.07561	9.9
151.11108	15.2
163.07573	11.2
163.11230	9.7
165.12761	9.6
167.03391	8.2
167.07065	77.7
173.13290	18.3
175.11835	7.9
177.05495	8.5
179.14401	12.1
181.05014	7.5
183.13811	9.2
191.14320	77.0
195.10031	7.0
209.08083	25.3
209.11899	8.1
209.15402	43.9
210.11171	14.0
219.10231	7.4
226.15326	7.3
227.16415	27.7
250.15207	10.5
262.10797	14.0
263.11017	17.6
264.15134	7.2
323.38788	7.1
352.83249	6.3
370.10141	6.8
388.10669	10.8
388.14972	16.3
388.19937	23.9
389.08676	28.4
389.21027	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74433	1.2
55.01881	2.6
55.05510	2.7
56.96555	1.8
57.03429	2.1
60.05635	2.1
61.02914	2.4
65.03928	1.3
67.05502	7.4
69.03426	4.0
69.07068	2.4
70.06590	6.9
71.04990	3.2
71.59928	1.5
79.05499	2.8
81.03404	4.3
81.07066	6.5
81.07473	1.1
82.06582	6.7
83.04981	2.4
83.08615	4.8
84.04544	1.2
85.02905	13.7
85.06557	2.0
89.06033	4.2
91.05476	8.9
93.07044	3.5
94.06583	5.0
95.04992	2.5
95.08619	4.0
97.02905	4.5
97.06538	5.0
99.04433	1.5
99.08081	1.9
103.05447	2.2
105.07029	10.5
107.04952	1.9
107.08600	6.0
108.08109	4.7
109.02908	1.6
109.06527	2.1
109.10179	5.7
115.05495	1.5
119.04963	1.8
119.08588	14.8
121.06479	2.8
121.10123	1.7
122.03673	1.9
122.09684	8.9
123.04434	3.0
123.11710	1.2
124.05223	1.3
124.07581	1.4
127.03918	3.5
129.06992	1.8
131.04935	4.0
131.08563	33.0
133.06546	1.9
133.10104	6.5
135.08040	2.2
135.11659	2.3
137.05966	15.0
138.06267	3.0
139.03865	1.8
145.04968	1.8
145.06555	1.6
145.10112	5.4
147.04378	1.8
147.11713	4.3
148.04848	2.0
149.09698	1.6
149.13235	1.9
151.03923	1.6
151.07542	1.7
153.05553	1.7
157.06563	1.5
158.10901	3.4
161.05998	5.1
163.07558	4.2
163.14804	2.7
167.07034	12.1
171.11665	1.6
173.13261	100.0
174.13684	2.7
175.03952	1.6
175.07552	12.3
175.11919	6.1
175.14825	6.0
176.04196	1.7
177.05482	3.0
177.09111	2.7
181.04979	3.0
182.05342	1.5
187.07463	1.2
189.09227	2.1
190.15913	1.4
191.07030	3.8
191.14308	47.6
193.08653	5.1
205.08568	2.3
206.57129	1.2
207.06561	1.6
208.06973	2.3
208.16927	3.1
209.08228	3.1
209.15356	3.3
221.14027	2.0
226.10835	2.1
226.17973	9.7
227.12657	1.5
235.09651	3.0
246.17047	1.3
268.19266	2.0
283.08597	2.1
301.09714	3.0
311.12830	2.6
334.20236	1.3
346.16397	2.2
363.27145	1.3
371.14978	4.3
371.20114	1.5
388.14713	3.5
389.08350	2.0
389.16306	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10797	0.4
53.03934	0.6
55.01871	1.4
55.05515	0.8
56.96572	0.5
57.07064	1.5
59.05003	0.4
61.02922	0.6
65.03947	0.5
65.60614	0.4
67.05519	2.6
69.03438	1.3
69.07075	5.5
70.06582	0.8
71.04999	0.7
71.23843	0.7
71.24181	0.7
79.05495	2.5
80.07051	0.5
81.03413	1.6
81.07062	9.8
83.04989	0.7
83.08623	1.2
84.04500	0.5
85.02921	3.0
85.06526	1.5
88.83577	0.4
91.04967	0.6
91.05492	8.3
91.06023	0.9
93.07050	5.0
95.04965	1.6
95.08612	4.7
97.02864	0.7
97.06548	3.4
100.11260	0.5
101.34421	0.4
103.05452	0.9
105.07034	4.4
106.07391	0.4
107.04990	0.7
107.07867	0.6
107.08601	9.5
109.02890	0.8
109.06532	1.3
109.10166	2.9
113.05986	0.5
115.05499	0.6
117.07013	0.9
119.08584	1.2
121.06514	1.1
121.10154	9.8
121.55016	0.4
122.03667	0.8
123.04422	0.9
123.08085	4.7
123.11720	42.7
124.12053	1.8
127.03922	0.8
131.04951	0.8
131.08568	3.4
132.08885	0.4
133.10144	18.4
135.08061	5.2
135.11693	3.1
137.05991	8.2
137.09644	1.2
137.13280	0.9
137.55609	0.5
138.06329	4.3
139.04004	0.6
143.08604	0.5
145.04962	0.5
145.10130	1.3
147.04367	1.0
147.11734	0.9
149.05991	0.6
149.09615	1.1
149.13274	1.3
151.03889	1.4
158.10909	1.3
161.05992	0.5
163.07562	0.6
163.14835	4.7
167.07060	5.6
168.07443	1.1
173.05945	0.6
173.13283	9.8
175.07578	1.2
177.05482	1.5
181.04898	3.0
182.05333	1.7
190.25401	0.5
191.14326	100.0
192.14676	4.2
193.08675	0.7
193.15848	0.9
208.06873	0.9
209.08081	2.2
209.15224	0.6
210.14973	1.0
219.10175	0.8
227.16463	1.9
228.15959	1.0
246.17107	2.5
272.22153	0.4
316.48962	0.5
323.08838	0.5
348.81296	0.4
353.19537	0.6
358.13684	1.1
370.25644	0.6
371.14838	0.7
388.10501	0.6
388.14883	5.4
388.19928	0.7
388.25439	2.2
389.15744	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	27.9
62.71566	0.7
69.07064	1.1
70.06611	0.9
70.31392	2.3
71.95261	2.1
79.05499	1.1
81.07059	2.2
84.96047	1.3
98.97576	1.1
110.97601	1.3
114.70082	0.8
116.98605	1.1
128.98621	3.8
134.99681	1.0
141.02205	1.1
144.83868	0.8
146.99675	7.3
149.01199	1.6
155.03845	1.3
157.01746	1.2
157.10066	0.9
161.01114	0.9
165.00803	1.8
171.03328	4.6
175.02869	1.1
183.03304	1.3
185.04895	2.9
187.02826	1.1
189.04391	5.9
191.03896	0.9
191.05995	1.3
195.06952	0.9
197.04852	2.7
199.06410	2.1
201.04286	1.7
203.05919	4.7
205.07536	1.4
209.04958	1.3
209.06894	1.2
211.06412	2.2
215.05849	2.0
217.05463	1.6
217.07495	4.8
219.06906	1.4
223.06422	2.0
223.08493	1.7
225.08037	2.6
227.05823	2.7
229.07411	1.8
234.07857	0.9
235.06445	1.1
237.04381	1.1
239.05829	1.2
241.07391	1.4
243.09085	1.6
249.04237	1.1
253.07428	1.3
255.09009	1.0
266.08362	1.7
301.14780	1.0
305.14224	1.1
311.13174	2.1
319.16055	1.0
329.14221	16.1
347.15308	64.6
348.15634	3.8
365.16391	100.0
366.16721	5.2
370.16971	12.2
383.17368	10.7
388.17987	27.0
389.18179	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	388.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	38.7
64.76545	1.6
67.05497	2.0
69.07077	7.2
71.61128	2.4
71.95257	1.8
72.96039	2.5
74.97625	1.7
79.05449	2.0
81.07054	2.5
84.96053	1.9
93.07027	1.8
94.88173	1.5
98.62175	1.4
120.24181	1.4
123.01199	1.7
128.98596	2.9
137.02814	1.6
146.99655	4.0
157.01801	1.5
159.03349	1.4
159.19913	1.4
161.01285	1.8
169.01785	1.9
171.03299	5.9
173.01155	2.3
183.03244	2.5
185.04843	2.2
187.02795	1.9
189.04401	4.8
194.08069	2.1
197.04865	3.1
199.06415	18.2
201.04529	2.5
203.05899	4.0
209.04921	1.8
211.06422	4.8
213.04359	2.2
213.07977	2.6
215.05890	2.1
217.05460	3.6
217.07489	42.4
222.08087	4.7
223.06378	1.4
225.07925	2.3
227.05951	1.6
227.09584	8.7
229.07475	5.2
229.56189	1.5
231.08876	2.1
235.06465	2.2
235.08511	2.9
237.08041	2.8
239.09534	2.9
240.09070	5.1
241.07484	5.7
243.09114	1.9
245.10645	13.4
250.11337	2.1
251.09654	1.6
253.07408	5.3
253.11119	5.5
255.09079	5.8
257.10754	2.0
265.07489	5.6
267.08734	2.1
268.12219	3.1
269.10587	2.2
271.08633	2.6
271.12149	3.9
273.10001	3.7
279.09076	5.4
283.08560	19.5
295.15866	1.5
297.10043	13.7
301.09558	5.7
306.10043	4.7
315.11295	2.5
319.15793	1.8
320.11887	3.7
321.17297	2.4
323.95145	1.4
329.14276	2.7
337.02213	1.7
347.15286	31.8
347.19247	2.2
357.04788	1.8
358.53683	1.4
359.07623	3.7
365.16385	100.0
366.16937	3.4
370.16782	4.0
370.27670	1.5
383.17609	17.3
388.17978	34.0
388.28439	1.7
389.12369	5.5
389.17966	2.3
406.19302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30637	1.7
55.05527	1.9
56.96571	39.3
57.03438	2.0
57.33900	1.7
61.03983	1.9
69.07071	6.6
71.59606	2.5
71.59988	2.5
71.95281	4.7
72.96044	1.9
81.07056	3.0
84.96046	1.9
85.02918	2.2
89.06087	2.0
110.97615	2.1
128.98618	2.9
146.99680	4.9
147.09258	1.7
161.93658	1.7
167.03510	5.7
171.03305	3.3
173.01262	2.6
181.05424	2.7
184.99706	2.1
185.01236	3.0
185.98326	1.8
189.04404	4.1
197.05005	2.6
199.06413	17.8
201.04344	2.5
203.05969	6.0
208.07153	2.0
209.04793	2.2
211.06512	6.1
213.04442	2.8
213.07993	2.8
217.05363	3.5
217.07469	43.0
217.50803	1.7
222.07988	4.0
223.06308	2.0
225.08043	4.0
227.09619	8.4
229.07492	5.2
231.08998	2.5
233.04485	3.5
235.06522	3.0
235.08688	2.7
239.09618	2.8
240.09116	5.0
241.07469	3.1
243.06662	3.3
243.09027	2.0
245.10573	15.1
250.11111	1.9
253.07588	4.4
253.11102	7.0
255.09045	5.0
265.07608	4.2
269.10699	2.6
271.05984	2.2
271.08575	4.7
271.12244	3.6
273.10062	3.2
276.13174	2.0
278.10825	2.1
279.09119	4.4
281.14069	1.7
283.08548	19.3
285.07507	2.5
288.06253	4.6
297.10095	14.1
299.05551	5.7
301.09674	3.0
303.08627	3.2
306.09964	4.2
313.07010	4.4
315.11282	3.9
316.05908	4.8
320.11807	4.2
327.04987	7.3
328.05759	3.5
329.14420	3.8
331.08179	5.5
333.15048	1.9
343.08200	3.5
343.13989	2.0
347.15320	30.9
359.07632	32.2
365.16385	100.0
366.16562	5.5
370.16742	3.8
374.09894	11.7
383.17496	18.1
384.18228	2.4
388.18030	34.0
388.28561	3.0
389.12326	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01794	3.3
54.54544	3.4
55.60938	3.6
56.96568	61.1
66.06698	3.4
67.02078	3.6
68.81950	3.2
69.07062	5.5
70.06577	5.4
70.62708	8.2
81.03393	3.5
81.07029	5.3
94.56198	3.2
123.01216	3.1
128.98619	4.5
129.07111	4.0
146.99637	3.6
169.05249	4.3
171.03334	4.6
185.04910	5.2
189.04350	9.0
199.06567	5.6
203.05920	4.8
209.08498	4.2
217.07475	10.8
227.09526	17.7
241.07462	4.5
245.10574	33.2
250.11118	7.8
250.47946	4.1
253.07675	4.9
253.11115	4.8
255.08983	4.4
268.12332	6.0
279.09131	5.2
283.08585	9.4
295.08725	5.2
297.10297	4.6
301.09698	6.0
315.18179	4.9
321.17200	4.0
329.14227	70.5
333.19055	11.0
347.15308	100.0
359.07626	4.6
365.16415	66.5
370.17023	32.3
388.17969	29.5
389.12119	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	388.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83966	0.5
54.91480	0.5
56.96450	20.9
56.96767	8.0
60.05564	0.5
70.59438	1.1
71.95142	3.1
71.95566	1.3
74.97507	0.6
79.05390	0.9
84.95963	1.1
93.06921	0.7
97.99060	0.6
98.97483	1.1
102.83875	0.5
105.06889	1.3
110.97500	1.2
115.97689	0.6
116.98492	0.9
123.01091	1.4
128.98592	2.7
132.71573	0.6
133.01526	0.6
134.99553	0.7
137.02628	1.1
137.05858	1.1
139.73361	0.6
141.02100	0.8
145.01636	1.3
146.99626	4.6
147.03212	0.6
155.03625	2.2
159.03157	1.4
161.01108	1.6
165.00645	0.6
165.04318	0.6
169.01645	1.3
169.05190	1.4
171.03221	3.5
173.04683	1.8
174.53275	0.7
175.02641	1.6
177.04234	1.0
181.05154	1.3
183.03195	1.3
185.04735	2.1
187.02736	1.2
187.06248	0.7
189.04341	4.8
191.03667	0.7
191.05727	1.4
193.03697	0.8
197.04700	1.2
199.02753	0.6
199.06375	4.0
201.04146	1.8
201.07907	1.0
202.05003	0.7
203.04199	0.6
203.05881	5.4
209.04755	1.5
211.06371	2.9
213.04236	0.7
213.07823	2.3
215.05814	0.9
217.07460	4.6
217.10809	0.6
219.06926	0.8
219.08873	1.0
221.06796	0.7
223.02708	1.3
223.06224	1.8
223.08208	0.7
225.04366	0.6
225.07932	0.9
227.05801	3.0
229.07425	2.7
237.07835	2.4
239.05754	0.7
239.09470	2.1
241.07445	0.7
243.09015	2.9
245.06886	2.5
246.07732	0.7
247.08385	0.9
251.05801	0.7
255.05307	0.8
255.09039	4.0
257.10507	1.8
261.09991	1.7
269.10419	1.3
273.09949	2.8
291.56006	0.6
303.16446	1.0
311.13239	1.2
316.87314	0.6
319.15543	0.9
321.17142	0.8
327.62158	0.6
329.14206	23.0
330.14429	1.5
345.13464	0.8
347.15305	87.6
348.15607	4.4
365.16376	100.0
366.16660	3.8
370.16937	12.1
383.17523	2.4
388.17999	24.8
389.18515	0.8
406.18979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
54.03460	0.6
54.04692	0.6
55.01864	1.1
55.05516	3.3
56.05044	3.0
57.03429	0.6
58.75418	0.6
58.99592	3.5
67.05491	2.5
68.05023	7.6
69.03425	2.2
69.07046	1.8
70.06569	2.0
70.73578	1.1
70.73963	1.1
72.08142	0.8
73.01128	1.2
76.02235	2.7
76.04003	0.9
79.05061	1.0
79.05493	9.9
80.05003	3.1
81.03419	0.7
81.07060	45.5
82.06583	3.4
82.07381	1.1
83.08595	0.7
84.04507	43.3
85.02888	2.1
85.49429	0.6
86.06080	4.0
86.99051	2.3
88.02200	1.9
91.05475	1.4
93.07032	1.5
94.06011	0.9
94.06568	10.0
95.04943	1.5
95.08601	1.6
96.04478	3.7
96.08101	1.7
98.00648	0.8
98.06031	3.6
98.09689	4.7
102.05539	1.6
103.05466	1.1
105.07031	2.9
107.04949	1.7
107.08607	1.0
109.02860	0.8
109.06508	0.7
109.10126	1.0
110.06006	1.5
110.09712	1.1
111.04533	0.6
112.03958	0.8
112.07608	1.5
113.04213	1.7
114.03767	1.6
114.05534	27.6
116.00890	0.8
116.01685	14.9
119.04968	0.6
119.08569	0.9
120.73119	0.6
121.06527	0.7
121.10081	0.7
122.06034	4.1
122.09658	1.8
123.08075	0.6
124.02180	0.7
124.07574	1.7
124.11256	3.2
126.03750	2.6
128.07069	1.6
130.05003	20.6
131.04984	1.3
133.06496	1.1
133.10135	1.3
136.11223	4.5
137.05988	2.9
137.91483	0.5
138.06354	1.2
138.09128	1.0
140.07065	4.9
142.03276	14.4
142.04993	36.4
143.05287	0.9
144.01173	3.3
144.04794	1.6
145.10112	0.7
147.04414	0.8
151.03938	0.6
151.07507	1.1
151.11131	1.0
155.06042	2.2
156.06584	4.2
156.08408	1.4
156.10217	2.3
160.06055	0.8
161.05957	1.1
162.02217	5.1
162.06354	0.7
163.07530	1.8
164.07849	1.8
164.10698	5.3
166.12267	2.4
167.07048	5.0
168.06508	15.3
169.07707	3.7
170.02733	1.4
172.04222	0.7
175.04002	0.7
175.07574	1.0
177.05414	1.0
179.04832	1.8
179.06140	0.7
181.08630	1.0
182.08846	0.7
182.11752	0.9
183.05647	2.1
185.07074	0.8
188.03799	1.2
191.14275	1.4
192.07274	0.6
192.10226	0.9
193.08549	2.3
193.66716	0.5
194.08948	2.2
195.05545	2.1
196.06268	1.4
197.07170	2.9
198.05505	0.7
199.05399	0.9
207.06569	0.7
208.06885	0.9
208.14023	0.5
209.15334	1.3
210.11261	100.0
211.05106	0.8
211.08710	0.7
211.11563	2.7
213.06567	1.9
221.07121	1.8
225.06630	4.3
229.06226	2.6
239.08058	2.6
245.05908	6.6
247.07457	2.0
249.06564	1.2
259.11163	8.8
267.07596	2.4
267.16132	0.8
271.07190	3.2
273.05405	0.8
277.06216	1.5
285.08688	4.2
291.06458	4.8
295.07159	4.5
313.08154	3.7
313.12183	6.0
324.09814	0.7
328.09296	6.4
331.73657	0.6
339.22290	0.6
342.14572	0.7
356.15536	3.2
370.10239	6.3
370.14120	0.7
388.11194	10.0
388.15384	24.3
389.11606	1.1
389.15869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03938	1.8
55.01863	2.4
55.05499	3.4
59.04985	1.5
61.02922	1.9
67.05499	4.8
69.03436	18.2
69.07063	5.3
69.42303	14.5
70.06593	2.4
71.04987	5.2
79.05503	7.7
81.03415	5.0
81.07052	11.3
83.04974	4.5
85.02433	1.6
85.02914	22.9
85.42574	1.6
87.04456	4.3
91.03955	1.9
91.05503	7.0
93.07047	7.9
95.04961	10.7
95.08595	6.0
97.02879	6.7
97.06538	2.7
97.20880	1.6
99.04459	9.5
103.05473	5.2
105.07042	15.9
106.52989	1.4
107.04961	4.3
107.08586	5.8
109.02863	3.3
109.06529	22.0
109.10165	2.8
110.37511	1.6
111.08086	3.2
115.05475	3.5
117.07015	3.1
119.04952	1.4
119.08575	6.5
120.97171	1.5
121.02921	1.7
121.06500	2.5
121.10158	7.8
123.04411	4.4
123.08103	7.2
124.05222	2.0
125.05981	3.2
127.03902	5.1
131.04922	6.2
131.08572	4.4
133.06502	6.4
133.10139	11.6
135.08060	2.6
135.11682	3.2
137.05995	21.2
137.09590	5.9
139.03851	2.2
145.04953	4.5
145.06468	2.3
145.10129	2.1
147.04343	2.0
147.11707	11.4
149.09624	100.0
150.10051	2.4
151.03886	2.9
151.07570	10.2
151.11192	2.5
153.09073	3.4
156.09325	1.5
159.08096	1.4
161.05998	5.6
161.09641	1.6
161.13188	7.2
163.07555	11.9
163.11198	5.1
165.12776	3.1
166.06216	3.2
167.07057	23.2
167.10677	2.4
171.11658	4.2
173.06012	2.4
174.10361	2.3
175.07516	2.8
177.05388	1.5
177.12665	1.8
179.07117	2.6
179.14314	2.3
181.05025	2.1
181.08589	5.1
187.07481	1.7
189.12781	14.6
191.14209	1.6
193.08585	14.3
205.08549	2.6
207.13818	59.7
208.07373	2.4
225.07590	2.0
225.14890	39.0
355.15491	8.5
357.13126	2.2
387.14099	3.4
387.18936	7.1
393.43924	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	4.0
54.54100	1.5
55.01861	3.5
55.05502	4.5
57.03430	6.9
57.07071	2.9
61.02919	8.9
62.00476	1.4
65.03933	1.4
67.05501	10.3
69.03077	2.2
69.03432	36.3
69.07061	8.0
69.37907	5.4
69.38324	8.4
70.06618	2.7
71.04987	5.8
72.08137	1.6
73.02908	5.8
74.80773	1.4
75.64272	1.6
79.05505	8.1
81.03418	17.8
81.07056	15.5
83.04974	4.7
83.08638	1.9
84.08102	2.0
85.02906	100.0
85.06530	2.2
86.09705	3.2
87.04468	4.2
91.03967	3.4
91.05466	9.6
93.07052	9.1
95.04964	7.1
95.08610	63.7
96.08901	2.3
97.02890	20.3
97.06544	3.1
99.04479	9.4
105.07033	22.4
107.04929	1.6
107.08619	10.1
109.02905	8.4
109.06511	3.3
109.10171	19.1
111.04451	2.6
111.08084	2.1
117.06987	2.1
119.04924	1.7
119.08587	36.0
121.06543	2.8
121.10147	23.2
123.08073	15.6
123.11710	38.4
125.05995	26.6
127.03933	14.9
131.08562	4.4
133.06470	9.2
133.10141	18.9
135.08069	4.7
135.11697	53.7
137.05968	11.8
137.09616	13.1
137.13260	8.2
139.03885	3.2
139.07530	4.0
143.08543	2.9
145.04929	7.5
145.10141	9.0
147.08084	7.6
147.11691	33.0
149.09624	46.5
149.13309	1.8
151.03926	6.3
151.07538	14.6
156.09351	5.9
159.08038	2.7
159.11708	1.8
161.05902	1.7
161.09650	4.3
161.13260	72.6
163.03864	2.5
163.11227	3.9
165.09189	2.6
165.12784	4.9
167.07086	7.3
167.10701	3.2
171.11731	5.4
174.10429	7.4
177.05414	1.6
179.06992	2.0
179.14305	8.9
189.12750	81.6
190.13222	1.6
196.57405	1.9
207.13814	95.8
208.14090	2.4
217.08595	1.6
225.07579	4.0
225.14845	49.5
226.15207	1.6
247.07433	1.7
279.06506	1.8
294.08682	1.8
307.09592	3.5
309.11072	1.7
311.09146	2.5
326.11469	3.5
327.12427	3.7
333.17035	5.6
337.10620	3.1
341.13812	2.2
351.17932	9.3
357.68756	1.6
369.13443	3.7
369.19305	5.0
387.15472	2.6
387.20154	35.7
411.43860	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
53.03939	8.2
55.01884	2.3
55.05494	3.0
57.03426	7.7
57.07067	3.1
61.02917	6.1
67.05502	15.1
69.03432	30.2
69.07065	8.6
69.47903	21.2
70.06581	5.7
71.04996	6.7
73.02914	4.9
79.05493	6.1
81.03426	16.4
81.07056	27.8
83.04965	4.1
85.02907	100.0
85.06545	5.4
91.05481	11.1
93.07070	8.2
95.04971	4.2
95.08604	39.0
97.02901	19.6
99.04462	38.2
105.07027	10.9
107.08601	8.6
109.02892	12.3
109.10149	31.4
113.06046	4.3
119.08579	15.6
121.10156	15.8
123.08062	15.3
123.11712	62.9
125.05991	16.2
127.03932	24.1
127.11197	8.2
131.08536	3.3
133.10152	6.4
137.05963	4.2
137.09592	3.0
137.13248	5.0
145.04964	5.1
145.10112	3.9
147.08066	4.2
147.11676	22.4
149.09618	21.9
151.03905	5.7
151.07567	13.8
156.09344	4.0
161.13319	4.3
163.11148	3.5
165.12781	8.0
167.07051	11.0
167.10579	3.1
179.14326	5.3
183.13870	7.6
187.05949	3.6
189.12691	14.1
207.06482	4.1
207.13821	74.0
225.11011	9.8
225.14836	43.8
256.28491	2.9
333.16989	21.4
351.18076	31.9
369.19156	15.1
387.15997	9.3
387.20084	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03943	0.6
55.01869	0.8
55.05503	0.5
56.96560	0.4
65.03953	1.6
65.99694	0.3
66.04704	0.4
67.05507	1.0
67.55046	0.3
68.65514	0.3
69.03425	0.9
69.07069	0.5
69.28377	2.9
70.06579	0.5
71.04972	0.4
79.05508	1.5
81.03404	1.0
81.07047	1.3
85.02923	1.4
91.05494	2.1
93.07041	1.1
94.04185	2.7
95.04970	1.2
95.08598	1.3
97.02861	0.4
97.06509	1.0
98.20774	0.6
103.05450	2.0
105.07034	1.6
107.04939	1.0
107.08598	0.7
109.02853	0.5
109.06514	0.8
109.10152	0.6
110.03659	0.4
111.04482	0.4
114.10267	0.5
115.05443	2.3
117.07037	2.1
119.04920	0.7
119.08565	0.8
121.06470	0.5
121.10170	0.4
122.03651	7.9
123.03333	0.3
123.04407	1.3
123.11732	0.4
125.06023	0.7
127.03916	0.4
131.04933	2.0
133.06468	1.4
133.10159	0.6
135.04504	0.4
135.08067	0.4
135.11740	0.3
137.05980	100.0
138.06313	1.2
139.03920	0.8
142.02640	0.3
143.04938	3.0
145.06468	2.8
145.10187	0.4
147.04372	0.8
147.08037	0.3
149.05968	0.6
151.03914	3.7
151.07567	1.0
152.04619	0.4
153.05464	0.7
155.06036	0.7
161.05984	1.6
161.09633	0.3
163.03917	0.5
163.07468	1.8
165.09099	0.4
167.07045	13.2
171.06526	0.9
173.05988	3.5
173.50772	0.3
175.03937	0.9
175.07573	1.1
177.05463	0.9
179.07014	0.7
181.04964	18.1
181.08580	0.7
182.05325	0.4
187.07574	0.6
189.05376	0.4
189.09138	0.6
191.07074	1.7
191.08633	0.3
193.08594	2.8
203.06978	1.7
205.08632	2.1
207.06497	1.4
207.13885	0.6
219.10251	0.5
225.14987	0.4
233.08122	0.8
233.11771	0.4
235.07629	0.5
235.09573	2.1
248.08443	0.4
277.08560	0.4
291.10019	0.4
295.09604	0.4
321.42307	0.3
325.10785	0.3
326.11856	0.3
337.10593	0.4
351.12094	0.4
355.11646	0.3
355.15479	1.0
357.13339	13.0
358.13708	0.6
369.13211	1.0
387.14386	36.9
388.14490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
55.01868	4.1
57.03445	7.1
58.02956	2.1
58.06602	2.8
59.06099	1.6
60.04528	60.9
61.02929	9.2
65.03955	2.9
69.03432	32.2
71.01357	1.8
71.05000	4.2
71.59396	2.1
71.77061	1.3
73.02917	6.2
76.04009	2.2
76.16104	1.5
77.03001	1.3
79.05485	3.8
80.05009	1.9
81.03427	13.3
83.01357	2.4
83.04987	2.4
84.04510	4.7
85.02911	69.8
86.03239	1.7
86.06062	2.0
87.04486	6.2
91.03979	3.4
91.05494	2.1
92.05019	2.5
93.03418	1.7
94.06573	1.9
95.04961	11.6
97.02888	21.6
98.06049	2.1
98.18739	1.3
99.04462	5.6
101.02389	1.5
104.05005	2.6
106.06566	5.3
107.05014	4.9
108.04491	1.9
109.02892	9.5
110.06047	4.6
111.04462	7.2
116.05044	3.2
118.06579	2.3
119.06094	2.9
120.04482	4.1
122.06028	2.8
123.04440	19.2
123.06808	3.5
124.07618	2.4
126.05535	3.5
127.03923	16.0
132.04463	22.5
133.05240	2.1
133.07617	2.9
134.06038	9.1
135.04425	4.2
136.03976	6.1
136.07611	5.8
137.06015	1.8
137.07054	1.7
138.05551	3.3
139.03946	4.2
140.07167	1.6
143.03436	2.8
144.04451	4.0
145.04971	13.5
146.06068	2.0
147.05486	8.3
147.09343	2.2
148.03943	24.5
148.62593	1.4
149.07115	2.9
150.05498	5.2
151.03810	1.5
151.05132	1.4
151.06345	4.4
151.89149	1.3
152.07066	10.9
153.09178	1.6
161.07127	15.1
162.05527	12.2
163.05057	1.5
164.03436	2.9
164.07130	3.3
165.05455	1.8
165.06618	7.7
166.05069	1.6
167.07065	13.2
171.05554	4.0
172.03961	4.8
172.05943	1.5
173.07153	1.5
179.08195	5.8
180.06607	5.8
189.06635	19.6
190.05060	5.4
191.08226	2.4
198.07620	2.7
204.08727	2.1
207.07666	27.9
208.06094	5.9
209.09335	2.0
225.08725	100.0
227.10367	1.8
267.09888	1.6
369.12936	6.2
387.13989	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01866	4.7
56.96571	4.1
57.03437	5.4
60.04528	34.7
61.02919	13.0
63.85908	2.7
65.03936	6.1
69.03436	38.9
70.06583	6.1
70.74239	9.8
71.04972	2.9
71.06075	3.4
73.02902	5.0
79.05491	4.6
81.03423	15.7
83.04980	3.4
83.06089	4.8
84.04516	6.4
85.02910	100.0
86.03246	5.5
87.04491	5.5
91.03959	4.5
91.05469	3.3
95.04950	7.4
97.02890	39.2
98.97581	5.5
99.04469	6.6
100.03976	3.8
100.97185	3.5
107.04954	11.8
109.02885	12.6
110.06082	5.6
111.04446	21.3
111.53722	3.1
111.76542	3.4
116.05030	3.0
116.98605	4.7
120.04469	2.6
123.04458	17.5
126.05501	16.0
127.03940	23.8
132.04456	9.6
133.07631	5.8
134.05995	7.1
135.04398	5.2
136.07599	6.1
137.02347	3.3
137.06032	3.4
138.05511	5.5
139.03909	32.4
145.04953	24.7
147.05507	3.6
148.03952	67.0
149.04518	3.3
149.07117	3.7
151.06276	7.3
152.07082	16.1
160.11182	4.0
161.07082	17.2
161.11546	10.5
162.05519	19.9
163.03856	4.0
163.05002	5.7
164.03459	6.0
164.07103	4.6
165.06595	11.9
167.07043	30.8
172.04002	3.5
178.12254	6.3
179.08173	8.6
179.12619	6.8
180.06609	11.0
181.06104	4.3
189.06598	53.3
190.04991	17.9
195.02910	4.5
198.07570	3.3
203.08220	3.6
207.07695	57.2
208.06097	7.4
224.12820	12.4
225.08717	96.2
225.13150	25.4
369.12915	9.7
387.13843	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	387.1288
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
53.03942	0.5
53.42549	0.2
55.01866	0.4
55.05515	0.2
56.22320	0.2
57.03432	0.2
57.23980	0.2
61.02912	0.2
65.03908	0.2
69.03420	0.8
69.07079	0.4
70.06612	0.5
70.72649	0.5
70.73053	0.5
71.04986	0.4
72.08153	0.3
78.04728	1.4
79.05489	1.5
80.99169	0.2
81.03403	0.6
81.07054	0.4
83.04943	0.3
84.04476	0.2
85.02911	1.9
86.09710	3.4
91.05466	1.0
93.07044	0.8
95.01347	1.8
95.04968	1.2
97.02890	0.6
98.97585	0.4
99.04417	0.3
103.05460	0.6
105.03432	0.2
105.07041	1.4
106.04173	0.8
107.04996	1.5
107.08562	0.4
109.02872	0.4
109.06508	0.3
109.10130	0.3
111.04429	0.8
111.59081	0.2
113.95232	0.2
115.05494	0.3
119.04967	0.3
119.25171	0.2
121.02843	0.2
121.06501	0.9
121.10128	0.3
122.03664	0.3
123.04439	4.6
123.08094	0.4
124.05211	1.5
127.03922	0.5
129.01765	0.4
133.06499	1.4
137.02357	0.2
137.05981	0.8
139.03896	0.6
141.01840	0.8
147.04378	0.5
148.03966	0.2
149.05965	1.5
151.03891	1.0
151.07532	0.3
152.04723	1.8
153.05438	0.3
153.09187	0.4
161.05998	1.2
161.09196	0.2
163.11191	0.3
165.09100	0.7
166.06258	0.3
167.03412	3.0
167.07050	100.0
168.07402	1.8
173.44536	0.2
177.04057	0.3
179.07114	0.4
181.08575	1.4
189.12759	0.4
193.08609	3.8
195.06519	0.5
199.18085	1.1
207.10155	0.3
207.13876	0.9
211.07808	0.4
211.09682	4.9
225.10979	0.6
225.14763	0.5
227.17595	0.8
231.06593	0.3
250.03615	0.2
272.49567	0.2
387.16296	18.4
388.15991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1288
Annotation	Hedyotoside
Peak:m/z	Relative Intensity
55.05512	1.0
59.47045	0.8
65.03934	2.0
67.05495	1.8
69.03441	1.6
69.96140	4.5
71.05009	1.0
79.05486	1.3
81.03419	3.2
81.07052	2.5
85.02902	2.6
91.05483	21.2
92.05824	1.2
93.07033	1.3
95.04979	1.4
95.08634	1.3
97.02866	1.0
101.23316	0.9
103.05513	1.1
105.03434	1.0
105.07051	2.0
107.04982	1.5
109.02885	1.5
109.10115	1.1
114.05595	0.8
119.04952	23.6
121.10115	1.6
122.03643	2.0
127.03902	1.4
131.08580	1.1
132.02080	1.2
133.06505	0.9
133.10132	1.0
135.04356	1.1
137.05986	17.2
139.03912	1.6
147.04405	23.2
147.05511	1.7
147.08127	1.2
147.11684	1.0
149.02380	1.2
149.05948	1.0
151.02460	0.9
151.03838	1.6
157.04019	2.2
161.05898	1.0
164.04747	1.1
167.07077	6.5
173.05952	1.5
175.03908	44.9
176.04372	0.9
177.05376	1.1
179.07010	2.6
181.04988	3.5
181.08594	1.0
191.07306	0.9
191.14325	0.9
193.08664	1.3
203.07115	1.5
207.06531	100.0
208.06879	2.8
219.10175	1.4
225.07518	1.1
225.15034	1.0
243.19817	1.1
298.27798	0.9
351.10870	3.1
357.13272	2.6
369.12250	1.8
372.83200	1.0
387.14377	9.6
387.18771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81340	0.6
53.03943	1.1
55.01865	1.5
56.96559	1.2
57.03440	3.1
58.06589	1.8
58.26271	0.5
59.06100	1.0
60.04522	4.9
61.02684	0.6
61.02926	5.9
69.03078	0.8
69.03436	13.1
69.89864	1.9
69.90250	1.5
71.04987	2.5
73.02924	3.0
76.03988	1.2
79.05487	1.9
81.03426	4.6
84.92146	0.6
85.02908	42.7
87.04445	1.9
91.03933	2.6
91.05487	3.2
95.04951	2.0
97.02905	13.6
97.06532	0.9
98.21404	0.9
98.97586	0.8
99.04441	2.3
103.03954	0.7
103.05451	2.3
105.06380	0.9
105.07036	11.9
107.04953	3.7
109.02872	4.0
110.06002	0.6
111.04412	1.3
115.22685	0.6
116.04922	0.8
118.06544	5.1
120.08107	8.9
123.04401	3.5
126.05491	0.7
127.03934	11.1
127.15744	0.6
128.06226	1.2
131.04922	2.0
131.07301	1.4
131.08539	0.6
132.04457	4.3
132.08060	0.9
133.04866	0.6
134.06012	1.4
135.04427	1.5
135.05412	0.6
136.07533	0.9
138.05533	1.0
139.03886	1.4
143.08528	1.7
144.04430	2.3
144.06519	0.6
145.04971	13.6
146.99553	0.8
147.04411	0.7
147.05495	1.0
148.03928	2.5
152.07059	1.0
153.53419	0.7
160.11221	50.2
161.07024	0.8
161.11534	0.8
162.05487	2.0
163.03859	1.9
163.06007	1.0
165.06653	0.9
167.07045	3.6
171.05513	5.9
172.03859	1.1
178.12280	43.7
179.12669	0.6
180.06563	1.9
181.77612	0.7
189.06651	2.9
190.04927	0.9
206.11803	9.0
206.15356	1.3
207.07692	4.0
224.12819	100.0
225.08743	6.2
225.13129	2.7
248.12735	0.7
322.57901	0.7
367.68390	0.7
386.14795	1.0
386.18457	7.3
387.13406	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	386.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27823	1.1
52.52452	1.3
53.03939	2.1
55.01870	2.2
56.96579	1.8
57.03437	3.6
57.07083	13.2
59.04996	1.7
60.04527	6.2
61.02932	7.5
68.99818	1.7
69.03426	20.1
69.07062	5.7
70.06582	1.8
71.05000	2.7
71.49548	2.0
73.02916	8.0
79.05508	3.3
81.03422	8.8
81.07052	2.1
83.01337	1.9
83.04987	2.3
85.02911	57.8
85.06552	3.7
86.03303	1.3
87.00825	12.2
87.04473	2.9
91.03973	3.2
91.05498	3.4
95.04975	3.7
97.02896	18.0
97.06535	27.3
98.97604	2.4
99.04478	3.8
103.05483	3.1
105.07030	13.6
107.04967	3.2
109.02886	5.0
111.04462	2.0
115.03919	1.2
115.07579	25.7
116.93218	1.2
116.98637	2.1
118.06545	7.4
118.44212	1.0
120.08103	10.7
123.04458	5.6
125.05970	1.2
127.03912	13.0
128.06252	2.4
131.04930	1.9
132.04404	5.9
132.08070	1.4
134.99596	1.4
135.04420	2.0
137.05954	1.4
138.05547	2.0
139.03964	2.9
143.07086	3.7
143.08612	1.8
144.04509	1.6
145.04956	13.2
148.03949	3.3
150.05524	2.9
152.07062	1.6
160.11224	59.4
161.08113	57.8
161.11586	2.4
162.05533	2.4
163.03923	5.3
163.06000	1.7
167.03378	1.7
167.07025	7.5
171.05533	4.3
178.08711	2.0
178.12274	49.7
179.12643	1.5
180.06535	2.2
180.08690	4.5
189.06630	4.1
206.08194	1.5
206.11836	9.1
207.08797	20.0
224.09236	7.2
224.12886	100.0
225.08806	6.8
225.13258	3.2
386.14255	3.5
386.18396	8.3
387.13876	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01873	20.3
55.05512	65.5
57.03440	19.8
57.07066	2.1
59.05007	1.7
65.03954	2.8
67.05504	54.0
69.03437	10.3
69.07069	22.1
69.49763	12.7
70.06587	2.5
71.04999	4.8
71.08631	22.5
71.80765	1.3
73.02949	1.3
74.70723	1.2
77.16430	1.4
79.05493	49.0
79.05948	2.8
81.03426	15.1
81.07059	46.8
83.04984	21.5
83.08618	38.5
85.02920	5.5
85.06562	3.9
87.04499	1.6
91.05479	24.8
93.07043	36.8
93.07617	2.1
95.04970	30.9
95.05548	2.2
95.08602	19.7
95.09148	1.7
97.02927	1.5
97.06527	7.7
97.10175	46.6
98.20762	2.6
99.04449	3.2
99.08099	18.0
105.07023	22.8
107.04957	11.3
107.08597	33.9
107.09280	2.1
108.08965	1.4
109.02891	2.1
109.06520	9.3
109.10176	18.2
111.04449	19.2
111.08070	11.1
113.09671	1.9
115.05447	2.3
117.07012	11.0
119.08580	13.1
121.06547	5.8
121.10144	21.3
123.04503	2.9
123.08050	3.9
123.11738	3.6
125.06020	2.1
125.09636	49.1
128.06279	2.0
129.05499	1.7
129.07051	6.2
131.04985	1.3
131.08591	14.6
133.06467	1.7
133.10143	7.1
135.08081	8.7
135.11671	12.6
137.05978	2.6
137.09636	2.0
139.11256	2.7
141.07011	1.4
142.07730	1.4
143.08612	1.5
143.10745	3.9
143.50883	1.3
145.06543	3.0
145.10133	14.9
146.82544	1.4
147.08037	2.7
147.11649	7.9
149.06146	1.9
149.09630	12.1
151.11215	5.5
153.05368	1.8
153.09085	9.7
153.12692	7.3
157.10135	3.1
159.11772	5.1
161.06018	2.0
161.09673	2.9
161.13344	2.0
163.07503	2.0
163.11180	35.3
164.11778	1.4
165.12814	6.2
167.07114	2.9
167.10687	3.6
168.77678	1.7
171.08189	1.6
171.10228	5.1
171.11641	1.8
173.09770	4.8
173.13341	2.7
175.11192	3.4
177.12788	7.5
181.05003	1.9
181.12169	7.8
187.11229	2.0
187.14940	1.5
189.11220	56.9
190.11588	1.7
191.10629	6.8
193.08698	2.1
193.12299	8.3
195.13811	7.3
199.13345	2.0
201.05505	2.3
205.12314	3.4
207.06537	2.1
211.13350	3.5
219.91284	1.4
223.13261	13.9
227.12778	19.1
229.19594	2.8
231.06746	1.7
233.15450	1.6
237.14850	1.4
239.18092	1.5
245.13849	2.5
247.20686	4.3
249.14973	1.9
249.22331	1.7
257.19156	6.1
265.21646	2.6
267.16153	1.6
275.20065	33.2
283.86591	1.4
293.21103	100.0
294.21799	4.8
311.22293	4.6
328.23840	1.7
331.22943	1.7
349.23944	4.6
367.12024	2.2
367.24896	21.0
385.12863	10.2
385.26007	47.5
386.26459	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27209	6.2
53.03930	8.6
53.73416	6.1
54.35813	6.1
55.01856	12.0
55.05514	89.8
56.96552	9.9
57.03424	26.6
58.17218	6.3
67.05225	6.3
67.05506	70.7
69.03424	11.0
69.07056	24.1
69.88787	23.8
69.89202	15.8
70.06595	10.9
71.04993	16.4
71.08619	20.3
79.05510	59.8
81.03403	27.5
81.07063	77.7
83.04982	16.9
83.08643	36.8
85.02918	7.4
91.05486	35.7
93.07056	49.1
95.04980	34.0
95.08608	39.4
97.06516	9.5
97.10175	55.1
97.81593	6.4
98.20817	8.9
99.04446	12.6
99.08097	24.8
105.07022	31.1
107.04913	16.6
107.08612	40.8
109.06539	11.2
109.10146	24.9
111.04442	16.6
111.08070	14.4
116.98614	8.0
117.06992	15.0
119.08554	24.5
121.06526	11.2
121.10126	20.1
125.09650	53.5
131.08543	18.1
133.10110	17.1
135.08037	10.2
135.11690	12.5
137.05983	10.8
145.06564	9.0
145.10143	14.1
147.11705	12.3
149.02307	12.4
149.09645	13.6
153.09113	9.2
153.12715	9.5
159.11691	9.3
163.11220	35.7
167.07036	9.5
167.10741	7.3
170.23048	7.1
177.12767	11.7
181.05031	10.1
181.12224	10.1
189.11240	68.8
191.10571	7.4
193.04941	7.7
193.12343	8.0
201.05550	8.6
223.13239	17.7
227.12721	22.1
237.86859	7.6
240.91656	7.7
247.20190	9.0
275.20139	38.3
293.21094	100.0
311.21893	10.6
367.24677	26.5
385.12726	24.7
385.26187	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	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29264	4.6
53.03944	6.2
55.01875	7.8
56.96549	6.5
57.03431	5.1
61.02916	6.9
67.02670	4.1
67.05488	9.9
68.13293	4.1
69.03424	13.2
70.06577	17.3
70.38017	20.9
71.04989	4.7
72.08150	5.7
73.02904	4.0
81.03399	5.7
81.06997	5.6
83.04983	5.4
85.02903	18.8
91.05466	7.6
95.04961	13.7
97.02916	11.9
98.97582	6.3
105.07056	7.9
107.04917	6.6
111.04472	5.9
116.98602	9.9
119.04981	8.3
121.06479	5.3
123.04430	17.9
127.03915	7.4
129.06969	4.6
131.04921	19.5
132.04492	9.6
133.06497	12.8
134.99666	8.5
137.06012	10.3
139.03900	11.1
145.04953	5.7
145.06480	6.0
146.03622	4.6
147.04399	12.4
151.03954	5.1
157.06505	5.4
159.04388	8.2
161.05911	27.7
163.03845	6.1
163.07568	5.1
167.07045	16.6
169.06425	9.4
175.11823	8.6
176.04837	4.9
177.05493	6.5
185.06056	4.5
187.03941	13.7
189.05461	7.3
191.07068	33.1
193.08626	12.8
197.05920	10.3
204.04199	14.2
205.08661	8.1
207.06419	5.6
207.13866	4.9
215.07024	9.2
219.06670	22.9
229.08559	6.7
231.06538	8.0
236.55193	4.7
237.02957	5.8
243.06474	14.9
245.04497	6.0
245.08081	7.7
247.09564	10.4
249.07462	6.5
257.07983	15.9
260.06842	24.7
263.05682	5.3
273.07617	6.0
275.09137	100.0
276.09488	6.6
277.07111	10.1
287.05365	6.4
301.06793	6.2
319.08090	17.2
337.09042	13.5
385.10855	5.3
385.14407	58.2
385.18445	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
56.96569	2.0
57.03437	2.6
60.04520	3.0
61.02929	3.0
61.57280	1.2
65.03946	2.1
69.03114	1.3
69.03430	8.2
70.06594	2.5
71.49791	2.3
71.58990	1.2
73.02915	1.9
75.26272	1.3
75.44425	1.3
79.05498	5.6
81.03423	4.7
85.02907	20.0
85.24317	1.3
87.00822	1.6
91.05486	5.6
95.01303	1.6
95.04975	5.9
97.02902	9.9
97.06522	1.4
98.97595	1.9
99.77197	1.3
103.05456	8.9
105.07036	52.9
107.04956	4.0
109.02882	3.9
111.04494	1.6
112.09403	1.3
113.02348	1.5
115.03951	1.5
115.05462	13.5
115.07618	1.4
116.98588	2.8
117.07032	4.1
118.04162	4.4
121.02850	1.4
123.04440	11.5
125.02398	1.7
127.03941	7.5
131.04948	6.2
132.04454	9.7
132.05690	2.7
133.06497	53.1
134.06007	1.6
136.06169	3.0
139.03920	3.2
143.04980	2.0
143.06030	4.5
144.04465	1.6
144.05632	1.2
145.04955	4.2
145.06462	6.6
147.04430	3.1
148.03912	6.3
149.07063	1.5
150.09308	1.3
151.03940	7.6
155.07071	2.6
157.06456	2.4
157.41074	1.2
159.08139	1.5
160.05194	2.5
161.05983	100.0
162.05409	1.4
162.06572	1.5
162.07745	3.6
163.03903	1.8
163.05093	1.7
163.08072	1.5
164.03423	1.5
167.07051	26.2
171.05557	1.7
173.05975	3.0
175.03941	3.0
175.06085	2.7
175.07527	3.0
178.04922	2.0
181.05006	2.0
183.06511	5.2
185.05957	2.1
189.05424	1.8
189.06802	1.6
190.06230	2.3
191.06961	3.0
192.05209	2.1
192.07846	1.7
193.08607	73.3
195.10214	1.5
197.06133	1.3
201.05507	3.2
203.07147	2.7
204.04124	1.8
205.06119	5.6
205.08427	6.5
206.06735	1.3
207.06349	6.2
213.05377	1.5
215.07234	1.7
219.01773	2.0
219.06500	3.6
221.08141	2.8
223.07141	5.1
229.04964	2.7
231.06514	7.6
233.04443	5.0
233.08061	6.7
234.08751	2.0
235.06279	2.2
235.09470	1.2
237.02847	4.3
243.06552	1.8
245.08163	2.5
247.06041	3.6
249.07527	3.0
251.09149	28.6
252.07298	6.7
252.09659	1.8
253.07558	8.8
260.06775	1.9
261.07599	12.9
263.09192	4.2
275.08984	6.8
277.07117	3.1
279.08698	2.7
289.06934	2.7
293.10220	3.7
301.06964	1.5
303.08743	1.9
305.10223	3.5
307.08136	5.7
319.08286	2.6
337.09290	1.7
367.10410	2.8
372.18707	1.6
385.02148	4.4
385.11823	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	384.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.05511	1.7
56.05032	1.3
56.96555	0.5
57.03433	1.1
59.04982	0.5
65.03934	0.5
67.05493	1.5
68.05035	0.8
69.03432	1.7
69.07053	0.6
70.06602	2.7
71.04993	1.2
71.45564	0.9
71.45901	0.5
71.61700	0.4
72.08153	2.5
73.08477	0.6
79.05493	1.8
80.05016	1.4
81.03435	2.8
81.04551	1.6
81.07044	1.3
82.05331	1.1
83.05003	1.1
83.06114	9.4
84.04533	0.6
84.08138	0.7
85.02487	0.6
85.02922	6.2
86.03224	0.5
87.04462	0.9
91.05493	6.1
93.04536	3.6
93.07005	0.7
95.04984	1.3
95.06102	10.9
97.02914	1.1
97.10137	0.5
98.97635	0.8
99.04475	0.5
105.07054	1.3
107.04977	1.0
107.06087	4.1
107.08573	0.8
108.23490	0.4
108.44270	0.5
109.06451	1.3
109.07681	0.6
109.10152	0.6
110.07176	34.9
111.05576	1.9
112.08752	1.1
113.07146	1.5
115.39468	0.5
116.98612	1.2
119.01929	1.5
119.04996	0.7
119.06027	0.6
119.08585	0.7
120.05604	0.9
120.08147	1.1
121.07626	1.9
121.10122	0.7
122.07139	0.8
123.04437	0.8
123.09198	0.6
123.11729	0.7
127.03903	1.3
128.98601	0.5
129.07021	0.6
131.05064	0.6
131.06001	2.4
132.06738	0.5
133.06566	0.8
133.07635	2.6
136.07619	0.6
137.06020	0.7
139.03918	0.6
141.67305	0.4
145.03564	0.5
145.04930	0.7
146.99641	0.5
147.04420	1.5
147.09177	0.8
147.11749	0.5
148.04836	0.6
148.08696	1.8
150.10260	0.7
156.07690	4.0
161.05960	0.5
163.03932	0.5
163.08778	0.5
167.06989	0.4
175.08730	0.7
177.05487	0.7
216.07158	1.9
219.01817	0.7
222.12691	0.9
223.06001	0.6
234.08360	0.6
237.02795	0.8
238.05394	3.6
243.08640	0.5
257.16531	1.7
258.08221	1.5
275.17578	2.8
280.08911	0.8
282.08081	0.7
284.17496	1.1
285.16028	1.6
293.18585	12.3
302.18628	2.7
305.18600	0.7
320.19687	6.2
323.19748	0.9
338.20761	25.7
339.19269	1.0
340.22333	0.8
342.10367	4.7
366.20291	4.0
367.10010	0.8
384.21320	100.0
385.14975	4.9
385.21484	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.7
55.05509	13.0
57.07058	10.3
59.05005	5.1
64.92123	2.2
65.03952	3.8
67.05505	26.5
69.03432	13.5
69.07067	7.7
69.08508	2.5
69.46897	23.7
71.04989	7.5
71.08678	2.7
71.40265	2.4
71.94624	2.4
76.23306	2.5
79.05492	23.2
81.07059	29.7
83.04983	4.5
83.08625	5.1
85.02891	3.1
90.05517	2.4
91.05483	34.9
93.07050	63.0
95.04980	23.7
95.08602	27.7
97.06521	10.8
103.05457	2.9
105.07035	59.0
107.08602	38.4
108.09400	2.9
109.06522	20.1
109.10156	20.2
111.04446	2.6
111.08092	7.3
117.07052	8.7
119.08578	48.5
121.06486	7.1
121.10146	39.5
121.15762	2.3
123.08091	25.3
125.09690	2.6
128.06227	9.0
129.07016	13.8
130.07761	3.8
131.08560	26.0
133.06509	9.3
133.10132	27.6
135.08043	19.7
135.11655	4.2
137.09622	6.8
141.07019	2.9
142.07768	15.5
143.08557	17.1
144.09375	4.4
145.10146	28.4
147.08058	20.8
147.11725	13.4
149.09634	16.4
151.07541	38.2
153.09113	2.9
155.08583	6.4
156.09305	5.5
157.10152	33.4
159.08104	6.1
159.11714	11.0
160.08813	3.8
161.09639	19.5
161.13245	6.4
162.94887	3.3
163.11203	3.7
165.09103	23.9
167.08560	4.0
169.10158	7.9
170.10892	5.9
171.11728	5.6
173.09665	8.3
173.13330	8.1
175.11201	23.1
175.14833	10.2
177.09106	8.4
179.08615	2.9
181.12219	3.2
183.11644	4.7
185.13287	15.1
187.14908	4.0
189.12794	10.3
191.14388	3.4
192.44112	2.5
193.10136	3.8
195.11606	5.2
196.12604	3.3
197.09602	11.8
197.13319	4.6
198.05518	3.2
199.11201	6.2
201.12807	9.3
203.14320	26.7
207.13844	11.4
209.13269	5.1
209.15294	4.7
213.12759	4.7
215.14314	6.6
221.15353	66.7
227.14281	5.8
231.13902	2.9
233.15376	7.5
234.16100	8.2
243.13824	4.6
271.17032	5.2
287.20102	10.6
299.20093	7.6
303.19571	8.1
309.18243	3.1
347.23770	4.6
365.24789	14.4
383.25830	100.0
384.14719	5.0
384.26254	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.29521	1.7
53.03932	6.2
54.95390	1.9
55.05272	3.0
55.05506	16.3
57.03420	3.1
57.07063	6.8
59.04998	6.6
66.19807	1.9
67.05508	29.1
69.03436	14.1
69.07064	7.4
71.04983	5.0
78.11231	2.0
79.05497	21.7
81.07058	29.7
83.04972	9.5
83.08619	5.9
85.06548	5.4
91.05476	38.1
93.07052	70.6
95.04974	25.2
95.08614	31.2
97.06531	13.0
98.21590	4.0
103.05478	3.9
105.07039	59.5
107.04960	3.2
107.08598	34.0
108.08864	2.2
109.06521	22.5
109.10163	23.0
111.08089	8.1
117.07024	8.0
119.08591	52.2
121.06503	11.7
121.10148	39.2
122.07200	3.3
123.08092	27.4
128.06215	9.0
129.07034	12.3
130.07745	3.2
131.08563	29.6
133.06522	5.0
133.10144	24.6
135.08058	18.2
135.11700	6.6
137.05901	2.2
137.09613	10.5
141.06943	4.2
141.38089	2.2
142.07777	14.1
143.08575	23.1
144.09309	6.9
145.10130	31.5
146.07262	3.0
147.08058	18.3
147.11699	12.7
149.09630	19.0
150.70895	2.3
151.07549	34.3
153.09071	4.2
155.08527	7.2
156.09348	8.4
157.10144	32.9
158.10597	3.0
159.08047	8.3
159.11681	13.3
160.08765	3.1
161.09622	18.7
161.13310	5.9
163.11189	6.4
165.09099	30.6
167.08586	2.4
169.10114	8.8
170.10919	4.4
171.11725	7.8
173.09641	8.1
173.13281	6.6
175.11214	22.0
175.14769	5.1
177.09129	6.6
178.09843	3.4
181.10196	2.7
181.12274	3.8
183.11722	7.1
184.12210	2.3
185.09669	4.8
185.13277	16.1
187.11230	5.0
187.14874	2.8
189.12769	9.5
191.14380	3.2
195.11757	4.2
196.12421	2.9
197.09608	7.1
197.13295	5.8
198.05507	5.7
199.11351	3.6
199.14798	3.7
201.12798	5.8
203.14314	25.9
207.11751	3.7
207.13776	7.0
209.13330	4.9
209.15286	4.6
213.12886	2.5
215.14331	5.7
219.13869	5.2
221.13409	3.5
221.15373	61.2
225.16525	4.3
227.14319	4.8
231.13838	4.4
233.15421	4.2
234.16199	7.0
237.14859	2.7
243.13808	3.1
277.23114	2.3
281.19110	2.6
286.19269	5.0
287.20102	12.9
299.19983	3.5
299.76038	2.3
303.19415	5.6
347.23785	4.2
365.24863	14.2
383.25806	100.0
384.26120	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03958	7.1
55.01878	3.3
55.05508	15.2
57.03445	3.4
57.07070	12.9
59.05004	6.2
62.31716	2.7
65.03934	3.0
67.05507	31.7
69.03427	13.3
69.07061	9.7
69.42088	7.4
69.42504	20.4
71.04982	7.5
71.52220	3.0
73.36427	3.4
79.05505	20.7
81.03400	5.6
81.07060	34.5
83.04987	8.1
85.06529	5.8
91.05478	48.4
93.07045	86.6
95.04955	26.9
95.08597	38.1
97.06523	14.2
98.21480	5.7
99.04462	6.9
100.81216	3.3
105.04518	3.8
105.07031	67.2
107.08600	36.0
109.06516	22.8
109.10147	25.3
109.33482	2.9
111.08083	7.2
112.22363	2.9
115.05474	3.2
117.07072	8.2
119.08570	51.6
121.06496	10.2
121.10142	42.6
123.08060	29.5
127.03935	4.2
128.06244	5.9
129.07013	11.2
130.07829	5.0
131.08546	23.3
133.06525	8.1
133.10135	29.2
135.08061	19.4
135.11729	6.9
137.06061	3.6
137.09663	7.2
142.07794	18.8
143.08556	20.1
144.09360	5.0
145.10130	30.6
147.08069	25.5
147.11694	15.6
147.29424	3.0
149.09624	22.6
151.07555	36.6
155.08549	8.5
156.09340	4.7
157.10127	43.3
158.10985	3.6
159.08046	7.3
159.11668	18.5
161.09634	14.0
161.13258	8.2
163.11235	8.7
165.09113	32.4
169.10143	4.9
170.10838	6.5
171.11705	9.3
173.09648	9.0
173.13322	5.5
175.11198	19.7
175.14821	7.8
177.09131	11.9
183.11641	6.7
185.13252	15.6
187.11176	9.5
189.12787	7.5
195.11777	4.3
201.12755	6.9
203.14340	33.9
207.11809	3.6
207.13838	13.7
209.13298	6.2
209.15535	4.5
213.12759	4.7
215.14384	6.0
219.13719	5.8
221.13377	4.9
221.15353	100.0
227.14262	3.7
231.14023	4.1
233.15282	4.4
234.16188	12.4
271.17261	3.5
275.17551	3.2
286.19366	6.2
287.20026	7.0
299.20139	5.0
303.19571	13.9
309.18491	4.2
347.23636	3.9
365.24762	13.9
366.25204	4.4
383.21167	4.4
383.25778	91.9
384.26181	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.68513	4.3
53.03922	7.2
55.05503	16.9
57.07067	12.7
59.05002	5.2
66.01730	5.3
67.05517	64.7
69.03423	8.6
69.07066	9.1
69.43075	46.1
79.05494	23.8
81.07059	41.6
83.04977	8.8
83.08640	5.0
85.06526	8.5
91.05480	44.7
93.07057	92.9
95.04967	28.4
95.08618	36.4
97.06525	13.7
98.21496	11.0
105.07031	62.7
107.08612	40.1
107.79359	4.6
109.06511	18.7
109.10161	43.7
111.08077	11.8
117.07050	12.3
119.06062	6.7
119.08584	36.1
121.06477	6.2
121.10152	34.2
123.08070	23.6
128.06238	5.9
129.07054	7.8
130.07768	6.2
131.08569	21.4
133.09251	5.5
133.10133	34.3
135.08046	13.9
135.11700	8.9
137.09648	11.5
138.06853	4.9
141.06967	7.5
142.07799	17.5
143.08583	19.9
144.09288	6.0
145.10118	34.6
147.08043	21.1
147.11673	15.1
149.09625	15.6
151.07549	32.7
154.14914	5.5
155.08592	8.1
157.10124	38.3
159.11703	15.4
160.08643	5.4
161.09637	23.4
161.13216	7.5
163.11218	10.2
165.09146	27.9
169.10146	4.7
171.11646	8.6
173.09619	13.9
173.11778	11.9
173.13251	6.6
175.11140	25.9
175.14758	5.3
177.09074	10.1
185.09639	4.8
185.13251	14.2
187.11028	6.7
187.14871	5.7
197.13289	9.5
201.12709	9.3
201.58635	5.4
203.14363	34.4
207.13792	5.4
209.15308	6.6
215.14307	12.3
219.13895	5.5
219.70999	5.6
221.15384	70.6
227.14226	9.0
287.20172	9.9
303.19327	6.5
325.98645	5.1
365.24857	8.4
369.79181	4.9
383.25812	100.0
384.25888	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	383.243
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
52.21400	4.6
55.01870	8.7
55.05512	29.5
57.03425	9.8
57.07072	7.5
59.04962	4.7
67.05170	5.8
67.05508	88.5
69.03416	6.2
69.07078	23.3
71.04994	8.3
71.61134	4.7
71.71874	3.9
78.68057	3.9
79.05505	43.8
81.03395	11.7
81.07059	62.1
82.30692	4.0
83.04951	12.0
83.08621	13.7
85.06550	8.9
91.05489	44.1
93.07039	43.1
95.04968	16.0
95.08607	33.8
97.02946	5.9
97.06537	8.6
97.10157	14.4
105.07041	41.9
107.04251	4.0
107.04955	14.8
107.08590	27.9
109.06501	9.3
109.10158	62.9
111.04449	4.0
111.08038	5.7
117.07002	8.0
119.08589	21.1
121.06508	9.9
121.10137	11.8
123.08062	10.4
125.09619	7.9
129.07014	9.0
131.08559	21.3
133.06470	11.8
133.10141	32.6
135.08058	14.0
135.11688	8.5
137.09653	5.5
141.07033	4.6
143.08656	5.7
145.10117	11.5
147.08058	9.0
147.11691	10.0
149.09604	13.7
149.13283	5.6
151.11179	14.4
157.10155	6.9
159.08040	5.9
159.11691	6.7
161.09660	4.7
165.12762	5.0
167.03900	3.9
173.11737	18.7
175.11305	5.5
177.09070	9.1
179.10820	4.9
189.12694	4.9
210.35561	4.4
219.50865	4.5
223.13280	11.2
237.96744	4.7
245.19035	9.0
253.14572	5.7
263.20099	8.1
269.13773	8.4
271.15512	7.2
273.18555	35.3
277.21542	5.2
279.04700	5.0
291.16528	6.8
291.19568	100.0
309.20657	5.6
365.23251	91.5
367.96271	4.6
383.24365	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.8
53.03946	5.7
55.01868	10.8
55.05510	28.4
56.96571	4.3
57.03440	33.2
57.07084	4.9
60.05611	2.5
60.10457	3.1
61.02924	3.7
64.07981	2.6
65.03929	3.2
67.05508	92.1
67.86697	2.4
69.03438	9.0
69.07071	89.8
69.97202	15.5
70.06596	5.7
71.05000	36.2
71.08634	4.8
71.62171	2.6
72.93803	2.8
73.02929	16.6
76.90508	2.5
79.05498	55.3
81.03413	14.5
81.07060	69.9
83.04979	11.4
83.08603	14.7
85.02908	8.3
85.06538	8.4
87.99525	3.1
91.03986	3.3
91.05479	40.5
91.99026	2.7
93.07043	41.0
95.04987	22.7
95.08609	41.1
97.02892	6.9
97.06543	49.7
97.10167	6.2
99.04446	3.2
99.08092	19.6
100.11240	3.5
103.05482	3.5
105.07038	36.0
107.04973	14.0
107.08602	28.1
109.02882	3.5
109.06529	14.4
109.10166	49.0
111.04448	5.4
111.08088	9.7
113.05981	5.0
115.07577	100.0
117.07014	10.5
119.08582	27.9
121.06489	11.5
121.10155	18.1
121.10928	2.8
123.04420	4.3
123.08054	11.7
123.11714	7.1
125.09686	5.4
127.07520	7.7
129.06982	5.4
131.07080	5.5
131.08562	19.4
133.06494	5.8
133.10150	29.5
135.08076	11.8
135.11713	8.1
137.05980	4.4
137.09598	6.5
143.08574	7.8
144.02058	2.9
145.10139	12.4
147.08121	5.7
147.11705	11.4
149.09642	9.4
149.13255	7.1
151.11203	10.0
153.12683	3.2
155.08621	2.9
157.10188	7.2
159.11665	6.4
161.09599	14.3
161.13220	6.5
163.11211	6.6
165.12849	3.6
171.11722	4.4
173.11749	11.6
173.13200	5.6
175.07384	3.8
175.11191	7.0
175.14809	3.6
184.17114	3.8
184.73912	2.7
189.11314	3.5
190.06285	3.8
192.78098	3.1
193.12312	6.0
195.13753	4.5
199.15002	5.2
203.14212	4.5
203.18050	4.2
217.15959	5.9
219.13828	3.9
221.08092	5.7
221.15408	8.2
234.10368	3.1
245.19070	4.8
247.07843	3.3
263.20044	5.8
267.06854	10.5
269.17484	5.1
271.15579	3.1
273.18457	26.4
276.07999	3.5
285.07828	8.6
291.19528	29.3
297.16931	3.3
297.99612	2.8
308.32568	3.0
310.24341	3.9
347.22177	6.7
365.19189	5.1
365.23297	19.6
372.46381	3.3
383.10901	4.7
383.15454	17.5
383.20081	4.7
383.24423	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
53.82352	1.8
55.01868	14.2
55.05512	36.7
56.96565	7.2
57.03447	24.0
59.04989	2.2
59.29716	2.2
61.02929	5.0
63.09351	1.9
65.03934	3.4
67.05173	3.1
67.05511	50.7
68.05827	1.8
69.03433	9.8
69.07072	25.2
70.06583	3.6
70.92217	6.5
71.04989	7.4
72.08163	2.2
73.02934	3.3
79.05059	3.4
79.05495	47.2
81.03427	22.0
81.07061	100.0
82.07376	2.0
83.04993	19.0
83.08629	19.5
85.02906	15.3
85.06543	3.8
91.03913	3.8
91.05482	26.8
93.07048	42.6
95.04965	20.2
95.08614	28.4
97.02912	3.8
97.06544	12.9
97.10179	29.8
99.04479	4.3
99.08085	6.4
105.07034	25.9
107.04963	8.1
107.08600	29.5
109.02901	5.7
109.06501	10.6
109.10165	21.8
111.04452	21.0
111.08112	11.6
114.10285	2.7
116.98685	2.8
117.07024	13.3
119.08592	23.5
121.06492	8.2
121.10145	14.7
122.05880	2.1
123.04462	3.8
123.08082	39.5
123.11716	3.8
125.05973	3.0
125.09626	24.4
127.03934	4.0
129.05505	3.4
129.07002	5.8
131.08606	12.4
133.06470	2.8
133.10130	11.1
135.08072	6.9
135.11723	10.9
137.05994	5.8
137.09627	9.2
139.07523	2.5
139.11156	2.2
143.08566	6.5
145.10146	14.2
147.08069	9.1
147.11700	10.5
149.01242	4.1
149.09624	6.7
149.13316	3.9
151.11128	3.2
153.09146	2.7
153.12746	9.6
157.10104	4.9
159.08066	3.0
159.11736	4.1
161.09631	7.7
163.11179	21.3
165.09172	7.1
171.10083	2.5
173.09679	4.1
175.11198	7.3
177.05487	3.8
177.08789	2.6
177.12776	4.0
179.07092	2.8
181.04910	2.5
181.12222	10.4
185.35947	2.5
189.11215	26.2
189.12706	3.5
191.10663	9.6
193.12294	9.4
203.14461	2.9
203.18018	2.7
205.12352	3.1
209.11699	3.1
211.13422	2.9
217.15930	3.8
221.08115	6.0
221.11259	5.0
221.15427	2.8
223.13354	6.9
227.12727	13.4
230.58234	2.9
237.16556	2.3
239.09282	2.6
243.59076	2.2
245.19040	3.8
249.14827	2.3
255.08937	2.4
255.17499	2.9
259.08493	10.5
260.08676	2.3
263.20209	3.3
267.08987	3.2
267.15775	2.2
268.09445	2.6
273.18515	33.1
277.09552	3.7
278.10464	2.5
283.15417	2.1
285.10101	6.8
286.10580	3.2
291.19559	76.6
293.13370	2.2
302.13800	7.9
309.20584	5.1
335.64365	3.5
337.10672	2.4
339.64737	4.0
347.22327	5.0
351.65811	2.4
365.19592	3.3
365.23300	24.9
383.09793	2.4
383.15308	13.0
383.24475	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01877	15.0
55.05512	53.7
57.03186	1.8
57.03440	21.7
57.07071	1.2
59.04978	2.1
65.03933	1.9
67.05507	65.4
69.03436	8.4
69.07069	30.1
70.06617	1.2
70.79899	2.0
70.80300	1.7
71.04995	5.6
71.05328	1.1
71.36401	1.0
73.02935	1.1
79.05497	56.1
81.03419	22.9
81.07062	100.0
83.04987	28.1
83.08623	29.3
84.92787	1.2
85.02912	8.6
85.06535	3.3
91.05482	27.7
93.07048	43.8
94.04189	1.7
95.04975	20.8
95.08611	33.0
97.02902	2.8
97.06542	11.9
97.10172	51.2
99.04474	6.1
99.08064	4.2
101.91805	1.0
103.05482	1.5
105.07032	26.2
107.04970	11.9
107.08595	31.6
109.02891	1.3
109.06529	8.3
109.10160	20.3
111.04442	22.5
111.08086	11.2
113.05961	1.2
115.05408	2.1
117.07012	11.1
119.04950	1.1
119.08589	24.7
121.06497	8.5
121.10143	16.9
123.04418	1.1
123.08079	44.3
123.11694	3.0
125.05997	3.0
125.09633	45.2
127.03973	1.4
129.05518	1.5
129.07013	6.5
130.02310	1.0
131.08577	12.7
133.06503	3.2
133.10139	13.5
135.08063	9.5
135.11690	14.9
137.05988	2.0
137.09607	11.5
139.11194	2.1
142.07762	1.7
143.08554	3.7
143.10660	3.2
145.06548	1.1
145.10126	16.0
147.04433	1.5
147.08060	10.0
147.11691	9.0
149.09615	9.8
149.13251	2.7
151.07458	1.1
151.11240	1.3
153.09065	6.1
153.12743	10.5
155.08615	1.3
157.10172	5.8
159.08057	1.8
159.11708	4.8
161.09668	5.3
161.13257	1.9
163.11189	22.8
163.14752	1.2
165.09146	10.4
165.12767	1.1
171.10176	3.8
171.11545	1.8
173.09665	4.1
173.11728	1.8
173.13177	1.8
175.11162	6.8
175.14888	1.5
177.05585	2.0
177.12759	2.1
181.12248	14.4
185.13298	3.6
187.14946	1.3
189.11226	62.6
190.11598	1.3
191.10646	12.1
193.12260	11.3
199.11180	1.3
203.14386	2.2
203.18213	1.4
205.12349	1.3
209.11717	3.6
211.13286	3.4
211.15094	1.1
221.08176	4.9
221.11838	1.4
221.15384	1.3
223.13301	6.3
227.12767	19.6
227.17934	2.3
237.16447	1.6
245.13840	2.9
245.19061	3.5
249.14856	3.4
255.17503	4.4
263.20139	5.4
273.18524	31.4
283.15359	1.5
291.19562	74.6
292.19888	2.3
309.20496	4.8
347.22128	4.4
365.18970	1.6
365.23312	19.4
383.16095	1.8
383.24319	55.7
384.24701	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01866	19.8
55.05513	51.6
56.96556	9.4
57.03440	20.1
59.05003	6.8
67.05504	80.3
69.03421	9.2
69.07076	19.8
70.03740	4.2
71.05005	7.1
71.08636	34.4
71.58198	3.3
71.60188	7.4
73.52675	3.8
73.88508	3.6
79.05499	42.7
81.03439	15.2
81.07052	55.8
83.04984	19.5
83.08620	44.0
85.02901	8.7
85.06557	6.8
91.05479	42.4
93.07050	38.6
95.04967	15.8
95.08605	33.5
97.02911	6.3
97.06529	11.0
97.10183	20.9
99.00808	6.0
99.08091	27.3
103.05493	4.9
105.07059	25.3
107.04946	14.1
107.08594	28.8
109.02901	8.3
109.06517	9.8
109.10164	42.6
111.04443	7.0
111.08083	11.5
112.52274	4.2
116.98550	4.3
117.07024	12.6
119.08584	30.3
121.06486	12.0
121.10150	16.7
123.04407	6.2
123.08073	12.2
123.11734	4.5
125.09647	21.5
129.07018	6.4
131.08574	16.8
133.10138	18.8
135.08028	6.7
135.11700	10.1
137.09610	17.1
145.10126	11.2
147.08058	9.3
147.11707	6.8
151.11115	7.0
153.12750	10.2
159.11690	4.7
161.09660	12.1
163.11195	10.7
165.09099	10.8
171.11671	6.9
173.11713	9.4
175.11105	6.3
179.10677	13.7
181.12236	7.5
189.05783	4.3
189.09201	5.7
189.11215	14.6
189.12794	4.4
191.10567	5.3
193.12228	34.6
207.10127	4.5
209.11804	9.6
223.13249	8.7
225.11139	4.2
227.12805	15.4
229.07468	6.4
245.19099	9.1
247.08385	5.1
263.20154	7.6
273.18506	13.5
280.56485	4.3
291.19556	92.1
291.52606	4.3
309.20471	5.5
325.66077	4.2
365.23328	34.8
383.15482	5.9
383.24539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20328	2.2
55.01879	2.3
56.96574	2.7
57.03439	3.9
61.02911	3.9
69.03427	9.5
71.53796	5.4
73.02906	3.9
74.02427	4.6
81.03407	10.0
85.02906	36.3
87.04472	2.5
87.76711	2.6
91.03870	2.4
94.06560	5.1
97.02901	14.5
98.97633	5.5
99.04451	3.8
103.03955	2.3
109.02884	5.6
112.38195	2.7
116.98605	3.1
118.06519	8.6
118.08721	2.2
123.04433	8.1
127.03915	8.8
130.06537	62.6
132.04468	43.1
132.08134	6.7
143.07237	2.9
144.08081	26.1
145.05005	3.4
145.07597	20.4
146.06065	11.5
148.03947	2.5
148.07573	6.9
154.06505	6.2
157.07610	63.5
158.06026	44.8
158.99658	3.8
159.09186	6.9
160.07605	3.3
161.02927	3.3
162.05447	2.5
164.05136	2.9
169.07610	6.0
170.06027	2.8
170.08408	2.7
171.09146	8.3
172.07587	11.5
174.05530	8.4
175.08698	55.3
176.07121	4.2
181.07600	3.4
182.08331	4.5
183.09178	14.5
185.07117	9.8
186.05496	3.5
187.08598	2.9
199.08618	13.2
200.07118	13.1
201.10136	3.1
203.08160	100.0
204.06668	3.4
204.08510	3.1
209.07162	7.7
215.08127	6.1
216.08977	4.0
217.07642	4.0
217.09685	29.6
221.07123	4.6
221.09215	58.1
227.08200	10.7
228.06650	3.5
231.07648	8.3
237.02800	3.7
245.09286	23.7
257.09158	3.0
263.07718	4.5
263.10287	52.3
266.08047	4.4
269.09421	2.6
299.10284	7.1
309.80420	2.6
311.10388	3.7
329.11371	6.1
347.12354	8.3
348.10873	11.3
351.09735	3.2
365.13458	39.8
383.11072	4.5
383.14673	42.5
389.60367	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
52.98028	2.8
53.03940	4.9
55.01868	21.3
56.96555	3.0
57.03432	5.4
57.07064	8.9
59.05003	3.1
59.67567	3.0
60.04524	3.1
61.02919	6.1
66.07120	2.1
67.05489	6.6
69.03427	33.0
69.07076	6.0
70.02950	4.5
70.06609	5.1
70.69395	6.5
70.69791	4.9
71.04976	4.5
72.04515	38.6
73.02922	12.7
75.36617	2.3
81.03420	21.7
83.04985	4.8
85.02908	31.8
85.06546	11.0
86.09704	4.5
87.08103	5.0
90.05559	80.8
95.04960	14.5
97.02899	36.9
98.02415	16.5
98.97584	9.8
99.04463	11.2
100.03990	7.0
103.07592	4.7
109.02885	38.0
113.05997	8.8
116.03470	25.7
116.98621	7.6
121.58210	2.8
123.04455	11.6
124.07607	28.3
127.03901	37.3
131.07089	3.8
132.04448	24.6
132.06596	3.5
134.99635	3.5
139.03946	5.4
142.08635	18.6
145.04977	10.3
159.34192	2.6
160.09691	7.6
166.08601	4.9
174.11308	10.0
181.04961	5.5
184.09671	32.4
187.05981	6.4
198.07695	3.9
199.06006	43.5
202.10750	83.8
205.07146	6.6
211.09712	3.6
216.08757	3.8
217.07082	21.3
219.01755	7.3
220.11809	100.0
221.09224	3.2
233.93948	3.2
234.09738	22.5
237.02855	8.9
237.98053	6.2
238.00288	4.9
240.60333	2.7
262.12921	9.3
310.13019	5.1
321.99905	2.9
328.13998	22.3
346.14932	28.4
364.16010	51.4
382.11191	3.9
383.09000	4.3
383.13348	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	381.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.05513	6.7
57.07069	1.9
65.03923	0.4
67.05482	1.2
69.03420	0.3
69.07067	7.5
69.84926	0.2
70.17599	0.9
71.08615	1.0
79.05489	0.9
81.07058	1.4
83.08618	3.6
85.02921	0.2
91.05473	1.4
93.07030	0.9
94.04144	0.3
95.04961	0.6
95.08589	1.0
96.05742	0.3
96.97828	0.2
97.10165	2.1
100.28449	0.2
107.04938	0.8
109.06523	2.0
111.08076	0.9
111.11725	0.5
119.04961	0.3
121.06489	1.3
123.04416	0.5
123.08081	1.9
124.05203	1.9
129.03951	0.3
131.08604	0.3
135.08113	0.4
137.05980	8.4
138.06374	0.4
139.07542	27.5
140.04680	3.8
140.07867	0.8
147.07941	0.3
151.07545	17.2
152.07890	0.4
153.05447	1.0
155.07011	3.0
163.11189	0.6
165.06575	0.5
165.09120	0.8
167.07039	100.0
168.07376	3.7
168.14278	0.2
169.07620	0.4
177.09114	2.7
181.08635	0.5
191.10698	2.3
211.31078	0.2
212.70164	0.3
283.08408	0.5
301.09494	0.3
317.28244	0.4
331.26187	0.4
345.27881	3.6
346.28384	0.3
363.28897	10.3
364.29227	0.4
381.29971	14.9
382.30447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.6
55.01875	24.8
55.05512	77.6
56.42368	4.2
57.03439	25.8
65.03939	6.3
67.05507	91.2
69.03439	8.9
69.07076	35.5
71.04998	34.0
71.60217	6.7
73.06543	6.3
79.05496	87.3
79.05959	6.0
81.03428	14.6
81.07059	96.2
83.04982	14.5
83.08624	75.1
84.08929	4.4
85.02939	8.7
85.06548	8.8
91.05486	76.0
93.07054	80.0
95.04974	92.9
95.08615	52.4
97.06541	20.2
97.10202	13.5
105.07037	60.7
107.04977	35.1
107.08599	53.6
109.06541	19.5
109.10166	24.7
111.08120	20.4
117.07020	24.3
119.08601	49.6
121.06546	21.3
121.10147	40.6
123.08080	13.9
123.11712	9.4
125.09650	16.7
129.07033	8.7
131.08580	35.9
133.10143	34.0
135.08096	11.8
135.11678	27.2
137.09596	9.6
139.11166	7.0
143.08572	10.8
145.10168	39.8
146.63748	5.1
147.08104	10.6
147.11728	20.2
149.09624	53.1
149.13292	8.4
151.11292	5.5
155.08490	4.5
157.10187	8.8
159.11713	27.4
161.09694	7.9
161.13312	8.0
163.11191	56.3
165.12782	13.2
169.10143	7.1
171.11732	7.9
173.09584	5.9
173.13269	9.0
175.11217	5.7
177.12784	19.8
187.11230	6.0
189.11223	9.1
197.13367	5.8
205.12276	17.5
207.13820	7.9
221.11415	8.8
223.13376	7.5
229.19547	9.3
239.17937	13.1
247.20630	9.4
257.19061	23.6
261.15051	4.9
275.20087	100.0
276.20508	5.1
293.21173	10.2
307.22772	9.1
331.22644	4.8
349.23734	32.1
363.21744	4.7
381.22360	4.8
381.26459	83.0
382.26871	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	381.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.6
55.05502	9.2
55.67132	3.3
56.96565	13.0
57.03414	4.6
61.02928	4.1
61.13544	3.4
62.49778	3.4
67.05498	14.8
69.07058	8.0
71.04991	9.1
71.60984	6.9
74.53058	3.1
79.00854	3.4
79.05489	15.1
81.03446	3.9
81.07043	23.9
81.48958	3.4
85.02878	4.5
91.05485	17.0
93.07043	13.1
95.04970	5.6
95.08619	15.0
97.10150	3.7
105.07037	12.8
105.34114	3.5
107.04966	4.7
107.08595	11.9
109.06506	9.6
111.08089	4.0
119.08563	10.1
121.10187	4.4
130.68750	3.7
131.08580	3.9
133.10103	5.9
135.08096	7.6
135.11732	3.9
137.05951	4.7
145.10178	3.4
147.11829	4.2
158.24921	3.4
163.11098	5.2
166.80191	3.2
176.20978	3.4
207.10013	5.0
219.11436	5.0
229.07634	11.0
231.08870	5.6
235.09309	4.3
237.08919	8.2
243.09131	8.8
245.95398	3.9
247.08528	15.1
252.09167	3.7
261.10141	6.0
266.10938	4.0
271.06250	8.1
271.16904	4.8
275.20123	4.1
279.58878	4.3
289.18008	4.5
300.14090	26.8
307.22696	5.6
363.21515	26.5
381.16751	42.5
381.22461	100.0
399.20825	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	381.1544
Annotation	Bitalin A-12-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03913	1.6
55.01853	2.1
57.03434	5.3
61.02921	5.0
69.03414	7.2
69.95100	11.1
70.06580	1.8
75.91145	1.7
78.85490	1.6
80.59719	2.1
81.03404	5.4
85.02917	27.3
91.05454	4.6
97.02901	9.5
98.20789	3.9
99.04469	3.1
103.05428	2.2
105.06995	3.0
109.02885	3.3
109.80255	2.0
115.05456	4.0
127.03902	5.0
128.06236	8.9
129.07001	8.4
131.04881	1.9
131.07707	1.9
131.08560	11.5
141.06990	6.1
143.08575	9.4
144.05710	3.0
145.04999	5.1
145.06531	2.3
157.06494	5.4
158.07254	3.4
159.04478	2.6
159.08026	6.2
160.05190	2.1
161.09587	4.6
165.05461	2.3
169.06482	4.7
171.08020	16.6
174.06763	23.1
175.07501	12.7
186.06720	3.9
188.08310	4.6
189.09111	32.1
191.10632	3.0
201.09160	13.9
203.10683	47.8
219.10176	100.0
261.03967	2.9
354.48480	2.0
377.02069	3.3
381.15256	46.2
381.19983	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	381.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06053	1.1
69.81247	8.7
69.81581	2.2
90.11517	1.3
117.10128	1.3
157.37172	1.2
178.42195	1.2
201.01627	1.5
219.02696	2.1
220.68581	1.5
241.00522	1.3
364.93729	1.5
381.07944	100.0
382.08099	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	381.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	34.5
57.03450	2.1
61.25212	1.8
69.03413	3.9
70.06603	9.9
70.83031	3.6
70.83410	4.3
71.04967	3.2
72.08137	2.7
73.02914	3.9
74.97580	1.9
81.03428	2.9
84.08153	3.2
84.96011	3.8
85.02902	10.9
87.04427	1.9
95.04948	3.3
97.02888	6.5
98.97587	51.0
100.34624	1.7
110.97560	8.1
112.99165	2.8
115.00692	7.1
116.07041	2.4
116.98614	35.3
119.01875	3.5
123.04424	13.0
127.03954	3.4
128.98607	14.8
129.02211	3.3
131.00165	7.3
131.01962	2.2
132.04456	25.0
132.95879	3.1
133.01752	13.4
133.03444	3.8
134.99673	12.8
137.02328	5.0
143.00192	3.1
146.99641	16.6
147.03299	11.5
149.01259	4.7
151.02773	4.7
153.00815	2.3
158.99632	9.1
159.03270	12.0
161.01164	6.0
163.02740	2.1
165.00668	6.6
165.04332	3.7
167.02139	2.1
170.05118	3.7
170.99753	4.7
171.03394	2.7
173.02945	3.6
175.11853	3.4
177.00690	17.5
177.04343	36.9
177.05878	1.7
189.00725	7.6
189.04361	7.1
191.02284	3.9
195.01767	3.3
195.05386	24.0
201.00699	4.8
201.04326	19.8
205.03798	2.8
207.01730	4.5
211.04453	2.3
213.00764	2.4
215.02321	2.4
218.99738	3.7
219.01767	27.5
219.05304	13.9
219.07190	3.9
219.96547	1.9
221.05051	3.7
231.05186	3.7
231.07245	5.6
236.98309	9.0
237.02823	59.1
242.07315	2.8
245.05070	6.5
245.12389	3.2
255.03967	4.5
255.07118	3.0
260.04446	3.5
260.98309	4.1
261.02823	5.3
261.06378	4.1
262.66345	2.3
276.47479	2.0
279.03790	7.0
295.10645	2.9
321.08319	100.0
322.04407	2.4
339.05597	2.7
339.09561	77.7
362.11322	5.7
381.10678	22.8
381.18118	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	379.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	15.3
57.07083	4.2
65.58362	2.6
67.05499	24.5
69.07063	36.4
69.23519	2.7
70.06586	2.5
70.84994	4.0
70.85330	5.4
71.05023	3.6
71.08607	2.4
72.08154	4.4
79.05492	12.8
81.07055	100.0
82.07362	3.7
83.08633	10.1
84.21708	2.7
85.06532	13.7
91.05473	7.7
93.07030	31.5
95.08609	57.6
97.06540	5.7
97.10154	4.0
105.07043	11.2
107.08594	30.5
109.06548	4.6
109.10155	41.9
111.08055	15.6
111.11759	4.3
114.52921	2.9
114.65197	2.4
119.08572	6.4
121.10169	16.4
123.11701	56.1
125.09673	3.2
127.11251	2.8
133.10150	7.2
135.11702	16.2
137.13258	17.4
139.11180	4.3
145.10104	5.8
147.11696	10.0
149.13240	19.2
151.11125	7.0
152.05699	5.9
153.12805	7.3
155.14310	7.5
161.13260	3.9
163.14825	5.3
165.12729	8.3
169.12393	2.9
175.07559	7.7
177.05550	3.0
177.16301	3.7
183.13812	6.0
187.13336	7.4
195.08281	2.7
261.89053	2.9
271.24231	5.6
277.25345	8.5
289.25208	19.3
307.26276	25.5
325.27417	6.2
361.67459	2.9
379.14447	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	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22324	0.9
51.50025	0.8
53.31905	0.8
55.05515	2.9
57.07062	2.6
58.29562	0.9
59.04992	1.0
63.98749	0.9
64.37324	1.0
65.03961	0.9
67.05505	3.9
69.07067	3.6
69.29959	10.4
70.10345	0.9
71.08630	3.0
78.06847	0.9
79.05531	1.9
81.07071	4.8
83.08638	2.7
85.06598	1.0
85.10159	1.6
91.05458	2.0
93.07027	1.5
95.08596	2.6
97.10177	1.3
106.18800	1.0
107.04952	1.2
109.06472	1.4
109.10155	1.4
111.08132	1.6
117.01263	1.0
119.43235	0.9
121.06569	1.2
124.05219	2.5
125.06004	3.5
131.84398	1.0
135.08064	2.2
137.06027	3.2
139.07541	54.6
148.91777	0.9
151.07555	2.9
153.05469	14.2
155.07071	1.6
167.07051	100.0
168.07440	4.4
175.07544	1.7
177.09171	1.6
181.08502	1.3
191.10747	1.8
193.08647	6.0
207.10225	3.0
247.16891	1.1
272.45145	1.0
329.24640	1.5
361.27289	3.8
379.28555	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	379.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
54.19356	1.2
55.01857	2.4
55.05510	7.5
55.24948	1.1
55.45170	1.0
57.03431	5.2
57.07073	2.4
61.02929	2.3
65.03938	2.6
67.05511	13.5
69.03430	27.5
69.07067	8.9
69.80789	1.2
70.92119	2.3
70.92449	1.9
71.04996	2.9
73.02914	1.9
79.05498	11.5
81.03427	12.8
81.07063	38.8
82.07384	1.7
83.04987	3.0
83.08616	3.1
84.02570	1.1
85.02912	17.4
91.05482	18.5
93.07049	39.6
95.04964	9.5
95.08609	48.1
97.02905	9.5
97.06522	3.5
97.10201	3.3
99.04456	3.2
105.07034	42.5
107.04971	3.0
107.08600	46.3
108.08937	2.2
109.02894	6.4
109.06531	5.9
109.10160	25.0
111.08109	2.5
111.11713	5.7
117.07009	2.2
119.08588	62.9
121.06522	4.8
121.10155	15.7
123.04398	1.7
123.08070	5.1
123.11698	2.6
125.06019	2.9
127.03925	9.2
128.06212	1.4
129.07030	1.7
131.08562	6.7
133.06483	1.4
133.10136	42.1
135.08076	4.0
135.11703	22.1
137.05977	2.4
139.07530	2.8
142.07788	2.4
143.08580	6.1
145.04980	1.5
145.10110	11.6
147.08041	2.0
147.11681	27.8
149.09630	2.4
149.13263	1.7
151.07584	1.9
155.08580	1.5
157.10152	7.3
159.11708	6.8
161.09596	6.9
161.13274	12.0
169.10141	2.0
171.11726	3.4
173.09647	2.8
173.13246	8.3
175.07570	1.7
175.11180	6.1
175.14835	12.9
179.10687	3.3
183.11821	2.3
185.13188	2.0
187.14816	5.8
189.16394	100.0
190.16742	5.3
191.18030	1.4
199.14838	8.0
201.16382	1.9
207.06602	1.6
211.14915	1.6
215.14362	2.7
217.15858	32.6
229.15816	1.8
235.16919	25.3
236.17393	1.5
238.71193	1.3
241.16002	2.0
259.16983	2.3
325.17813	2.5
343.19272	2.4
351.21744	2.4
356.94092	1.3
356.98380	1.3
361.20068	8.9
362.20566	2.1
378.50131	1.4
379.21170	30.8
380.21381	3.3
384.51273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17728	0.6
53.03929	1.0
55.01872	1.5
56.96534	0.6
57.03430	0.9
57.98323	0.6
59.06126	15.8
60.05647	0.9
61.02930	0.8
69.03435	2.9
70.06588	1.8
71.04972	1.7
71.57696	0.9
72.93805	0.7
74.06073	1.0
81.03414	4.7
84.08142	1.3
85.02911	7.2
91.05432	0.6
94.04202	0.8
95.04976	1.8
97.02887	3.5
98.97585	1.4
99.04479	1.0
109.02887	3.8
109.06554	0.8
111.04436	0.8
113.06000	4.4
116.07086	0.8
116.98659	1.0
119.04887	0.8
122.03623	1.8
123.04422	2.2
127.03909	2.5
128.04375	0.7
130.08600	0.8
132.04466	4.0
133.04799	1.0
135.04366	0.8
136.16264	0.7
137.05983	100.0
138.06317	2.1
139.03914	1.7
141.05443	1.2
145.04973	1.4
147.04442	0.9
148.03931	2.4
149.04216	0.7
153.05440	1.1
158.97467	0.7
163.07571	2.6
167.35468	0.6
175.07574	1.3
176.98476	0.8
181.05072	1.0
181.08606	12.9
199.05936	1.5
226.92336	0.7
231.08652	7.8
233.99376	0.9
234.99136	3.3
319.04755	2.2
378.02621	1.6
378.09219	0.7
378.17761	1.8
378.23792	1.5
379.10812	1.5
379.15784	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	378.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01876	0.6
55.05515	6.1
56.96557	0.7
57.03424	0.9
57.07082	4.2
67.05502	1.8
69.03433	1.4
69.07080	1.5
69.45560	3.6
69.45967	1.2
70.06606	3.6
71.04993	0.8
72.08167	0.6
79.05489	2.0
81.03400	0.7
81.07062	2.7
83.04989	2.5
83.08634	0.9
84.08156	0.6
85.02904	1.7
85.06541	2.5
91.05456	0.8
93.07056	5.0
95.04970	0.6
95.08608	5.5
95.78384	0.5
95.84653	0.5
96.08932	0.8
97.02921	1.0
97.06527	1.3
98.21442	1.1
98.97564	0.5
100.11265	2.1
105.07029	1.8
107.04973	0.7
107.08607	7.8
109.02910	0.8
109.06506	2.0
109.07639	1.7
109.10162	1.6
111.04449	46.4
111.08047	1.2
113.05975	0.9
114.10346	0.8
117.06998	1.1
119.08619	0.8
121.06496	1.9
121.10144	1.9
123.08095	1.2
124.07604	1.0
125.05998	12.9
127.07574	1.8
128.44714	0.6
131.08527	0.7
135.08089	6.0
135.11696	12.1
136.08434	0.6
137.06003	0.6
137.13286	1.0
139.07556	1.0
143.08572	0.5
145.02898	0.7
145.09006	0.9
145.10132	8.6
153.06618	0.5
153.12767	3.5
163.11203	13.5
167.06963	0.7
177.05580	1.3
181.12245	100.0
182.12581	1.9
199.13309	45.4
200.13757	0.8
210.14937	0.6
269.04227	0.6
378.25024	12.1
379.18921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
54.92896	0.6
55.01888	2.1
55.05520	2.1
57.03445	1.0
57.49318	0.6
61.02940	1.5
65.03941	7.7
66.05985	0.6
67.05518	2.9
69.03436	4.5
69.07103	0.9
70.06607	2.3
70.69199	1.9
71.05021	1.0
73.02934	1.4
74.04247	0.6
74.60443	0.6
79.05502	4.0
81.03394	1.4
81.07076	1.4
82.04223	2.3
83.04996	1.1
83.08636	0.9
85.02911	7.0
86.09715	0.9
91.03964	1.2
91.05483	10.0
91.06003	0.8
93.03416	1.5
93.07047	1.2
95.04977	3.9
97.02915	2.7
97.06538	4.6
97.10186	1.5
99.04486	0.9
103.05485	1.8
105.07022	1.6
107.04983	3.7
108.02085	1.3
109.02882	1.3
109.06536	1.9
110.03683	2.6
111.04469	2.4
116.98587	0.7
117.07139	0.6
118.04176	1.2
119.04945	4.1
119.08595	0.8
121.02953	0.6
121.06513	5.2
123.04454	3.3
123.08119	2.0
123.59604	0.6
124.05212	1.0
125.06006	2.4
125.09647	1.7
127.03931	1.5
129.05492	0.9
131.04935	1.0
133.06496	1.8
134.03670	0.7
135.04419	2.0
136.05193	1.2
137.06000	4.4
138.03133	1.9
142.02647	2.3
143.10684	1.2
145.06590	1.1
146.03601	1.7
147.04414	3.2
149.02365	1.1
149.06009	1.5
151.04015	0.8
151.07536	5.9
151.90167	0.6
152.04619	0.8
153.05481	4.4
153.06909	1.3
161.06029	2.1
163.03931	0.8
164.04713	2.7
165.05463	2.2
165.06929	1.6
167.07068	12.5
167.08412	1.3
169.06580	0.9
171.06578	5.5
175.11697	0.7
177.05511	0.9
179.07045	43.5
180.05753	1.1
180.07567	1.0
181.04974	89.5
181.06346	3.8
181.08443	7.9
182.05356	0.9
182.07248	1.3
183.08084	1.2
191.07068	1.2
192.04193	2.5
193.08641	2.3
195.08023	1.6
197.06136	1.3
197.08141	1.8
198.06737	2.2
202.07205	1.0
207.06538	100.0
208.06918	1.0
209.06070	1.9
211.07549	0.9
213.09174	3.8
215.07005	1.3
217.05019	1.5
217.14333	2.8
223.07518	0.8
225.05661	1.4
226.06255	2.3
227.07002	1.4
231.06528	0.7
233.07996	0.7
237.05565	1.0
239.06880	0.6
241.08583	5.6
243.06569	1.4
245.11792	1.3
255.10083	1.0
257.07993	0.7
258.13196	2.2
259.52832	0.7
269.08087	4.3
271.06076	1.0
273.11276	7.5
286.08365	1.0
301.10690	9.3
302.11420	1.1
310.54953	0.7
329.10202	1.2
333.09467	1.5
333.13364	25.4
351.08792	0.9
361.12936	6.0
379.09705	4.4
379.14368	0.9
379.19461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
54.69132	0.8
55.05497	1.0
56.96539	1.0
57.03430	1.2
60.05631	2.8
60.90977	0.8
61.02919	1.4
69.03411	3.8
69.07041	1.8
70.06590	4.3
71.04976	1.3
71.06909	1.2
71.59497	1.2
72.08139	1.4
73.02879	1.1
78.04703	0.8
79.05498	1.3
79.50510	1.0
81.03400	2.0
81.07043	2.1
84.04495	1.1
85.02906	12.3
85.59051	0.8
86.09712	1.2
91.05482	8.9
91.27225	0.9
93.07048	10.0
95.04977	5.7
97.02907	4.3
97.06516	2.6
98.97584	2.5
99.04440	1.0
100.59524	1.1
103.05460	5.3
105.07019	1.3
107.04995	0.9
107.08606	1.0
108.12006	1.0
109.02879	2.4
109.06483	1.6
116.07092	1.4
116.98637	2.3
119.04953	2.0
120.05690	1.0
121.06509	16.0
121.10132	1.4
123.04439	10.4
127.03893	3.2
131.04912	1.1
132.04430	2.5
133.06499	1.0
134.99663	1.4
135.08028	1.4
137.06004	3.2
138.03746	0.9
138.06606	1.2
145.04982	2.2
147.04440	1.3
148.05147	1.3
149.05968	5.9
151.03886	2.4
151.07523	1.1
153.05420	1.3
153.09053	1.0
166.06279	8.1
167.06990	1.9
175.11903	5.0
177.00694	2.3
181.08598	100.0
182.08955	2.5
188.07152	1.3
199.09654	83.4
200.09956	2.7
204.08807	1.9
207.06546	2.4
211.09682	1.7
216.08803	21.6
216.12206	1.6
216.15965	1.0
217.09457	1.0
218.10443	1.1
223.09422	1.5
230.10367	2.2
232.09578	1.0
240.08858	5.0
242.10379	1.6
246.09773	2.0
258.09909	1.1
286.09460	4.9
289.10559	1.1
297.08105	1.4
307.27951	0.9
325.13010	1.4
329.42163	0.8
339.18896	0.9
361.12531	1.8
378.17520	8.4
379.13660	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	377.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10644	2.7
53.03946	4.2
55.01865	4.3
55.05512	15.7
56.96578	5.0
57.03421	4.4
57.07064	7.0
65.03936	4.6
67.05212	4.1
67.05513	38.6
69.03431	8.4
69.07075	25.0
70.06606	6.3
70.84050	8.4
71.04987	5.7
73.02917	3.5
74.23675	2.5
79.05493	21.9
80.33975	2.7
81.03393	6.6
81.07059	100.0
82.07384	3.0
83.04974	9.5
83.08629	11.9
85.02915	12.0
85.06559	8.3
91.05494	21.2
93.07043	53.8
95.04964	15.3
95.08613	58.5
97.02870	4.7
97.06534	8.1
97.10205	3.6
99.04478	2.8
99.08073	6.2
105.07024	25.2
107.04956	7.4
107.08591	33.1
109.02893	6.4
109.06504	13.5
109.10161	82.9
111.04440	3.1
111.08078	7.7
111.11732	3.6
112.08735	3.1
119.04974	8.9
119.08597	17.5
120.08128	4.8
121.06551	4.8
121.10135	34.2
123.04401	5.8
123.08041	4.3
123.11710	37.1
125.05980	4.0
125.09620	5.4
127.03962	3.3
127.07587	4.6
129.06995	3.2
131.04913	9.5
131.08586	4.2
133.02821	3.7
133.10127	10.1
135.08081	5.5
135.11684	25.0
137.05984	15.5
137.09673	3.6
137.13257	6.4
139.11183	4.5
145.10103	6.2
147.04402	5.6
147.11679	18.8
149.06000	4.7
149.13257	14.0
151.03818	3.5
151.07558	7.7
153.01813	4.8
153.12767	12.1
157.10141	3.4
159.11703	8.3
161.09550	4.1
161.13231	6.9
162.06836	4.3
163.03845	3.3
163.07518	8.2
165.05539	2.9
165.12721	4.5
167.06981	3.2
167.10770	3.7
173.01369	2.9
173.11740	3.1
173.13249	2.8
177.05510	9.9
177.16386	4.7
179.07079	6.9
181.04961	8.3
181.12282	3.5
189.16528	3.5
197.08148	5.7
203.18034	3.4
204.06015	2.9
207.06725	2.9
269.22656	4.3
287.23706	7.8
291.03177	3.0
305.24771	13.4
317.06555	3.7
323.25922	9.2
327.12344	9.8
332.09039	6.1
345.06003	5.2
362.06854	3.3
377.08582	28.4
377.20529	3.4
378.08878	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	377.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
55.05511	1.5
56.96562	1.3
57.03432	1.4
60.05654	21.6
61.02912	1.5
62.06797	0.7
65.03956	1.2
67.05509	1.4
69.03428	2.7
69.07063	1.3
70.06594	50.7
71.04993	5.7
71.59399	0.9
72.08156	5.2
73.02892	1.0
79.05508	2.0
81.03425	3.4
81.07060	3.0
83.08590	0.9
84.04504	1.4
84.08152	2.0
85.02914	8.1
86.09715	1.7
88.07654	1.0
91.05476	6.5
93.07040	3.5
95.04978	4.1
95.06091	2.1
95.08602	3.3
96.04485	1.2
97.02889	3.2
97.06523	1.1
98.06063	1.3
98.97594	2.3
99.04441	1.3
103.05499	4.2
105.07029	2.8
107.04958	1.9
107.08607	2.4
109.02866	1.5
109.06520	2.4
111.08095	1.0
112.08738	6.7
113.06004	2.0
113.07118	1.1
114.05530	2.9
114.10301	1.0
115.05502	1.3
115.08699	3.0
116.07102	20.0
116.98642	2.0
117.07047	1.0
119.04980	1.5
119.08574	1.8
120.08124	1.5
121.06496	4.6
121.10177	1.3
123.04423	2.3
123.08080	1.7
125.06013	1.4
127.03944	2.6
128.06271	1.3
128.07205	1.3
128.98688	1.1
129.06972	2.1
130.06546	1.6
130.08751	1.3
130.09766	8.4
131.04950	3.0
131.08510	1.3
132.04485	1.0
134.99701	1.4
135.08034	1.1
137.05977	20.0
139.03949	2.1
139.07581	1.3
145.05000	1.0
145.06465	1.3
146.05980	1.1
147.04445	1.9
149.05989	2.6
151.03920	3.5
151.07520	3.1
153.05505	2.1
155.07166	0.8
157.06494	1.3
158.09277	8.2
161.09634	0.9
163.07570	2.2
165.05496	1.5
165.06891	1.5
166.06300	2.7
167.07059	2.2
174.07726	1.6
174.11295	2.0
175.07605	3.1
175.11913	100.0
176.12280	1.2
177.00734	1.0
179.07027	1.8
179.10751	2.3
181.06433	1.7
181.06697	1.9
181.08585	29.3
183.08131	2.0
187.07639	1.3
188.07060	1.0
189.13498	1.0
191.07063	1.4
199.09668	21.8
201.09781	7.6
205.08621	1.3
208.09680	2.3
209.10069	2.3
211.07555	2.6
213.05415	0.8
215.07957	0.9
215.12595	1.4
216.12390	2.0
219.01756	1.1
221.09537	0.9
225.11237	1.2
227.07042	3.8
233.12459	1.4
237.02896	1.2
243.10210	2.0
255.06596	2.5
263.06784	0.9
271.09601	3.4
271.12735	0.8
272.15042	1.6
288.09943	12.6
289.10406	1.9
297.11154	1.4
302.11383	5.6
303.12299	4.8
315.20181	1.5
331.19827	3.3
359.19403	1.9
377.08392	1.2
377.20938	43.0
378.20844	1.0
396.92267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.7
57.07072	0.5
60.05649	22.3
65.90088	0.5
67.05486	0.9
69.03408	1.4
69.07059	0.7
70.06593	50.4
70.91701	1.2
71.04991	4.2
72.08144	4.2
74.02422	1.5
75.36913	0.5
76.03999	0.6
81.07037	1.8
83.05006	0.6
84.04498	0.6
84.08142	1.0
85.02885	1.8
85.07676	0.7
86.09679	0.9
87.04428	0.6
88.07632	0.9
91.05449	1.6
93.07022	1.5
95.04947	0.6
95.06093	2.5
95.08626	2.6
97.02869	1.2
97.07624	0.8
97.92897	0.5
98.06045	1.1
98.97569	1.1
99.08099	0.5
100.49496	0.5
109.02887	0.5
111.08110	0.6
111.92056	0.5
112.08741	7.9
113.07122	1.6
114.05523	1.7
114.10258	2.0
115.08698	4.7
116.07097	20.5
116.98647	1.2
119.04945	0.8
119.08587	0.7
121.06519	0.9
123.04441	1.0
123.08076	0.7
127.03922	0.6
128.07039	1.3
130.08777	1.1
130.09767	9.3
131.12904	0.9
132.04424	1.5
132.08064	0.6
135.08072	0.6
137.05980	13.2
138.06367	0.5
139.03903	1.2
139.07533	1.5
140.08157	0.6
142.04951	0.7
145.06421	0.6
147.04410	0.7
149.06023	0.9
151.03905	0.8
151.07552	0.9
157.10852	2.3
158.09250	9.3
159.07748	0.5
161.06047	0.6
163.03825	1.2
165.05573	0.7
167.07094	1.1
173.09262	0.5
174.07608	1.8
174.11241	1.6
175.11906	100.0
176.12335	0.9
177.00772	0.8
181.04979	1.3
181.08656	2.1
189.13472	0.8
191.03299	0.8
199.07692	0.6
199.09560	0.7
201.08325	0.6
201.09894	6.2
205.08545	0.9
206.61002	0.5
208.09703	1.1
209.10092	1.2
215.01941	0.5
219.01503	0.5
226.14456	0.6
231.10861	1.3
233.12372	0.8
237.02907	1.0
241.08684	0.6
248.19891	0.6
254.13976	0.6
272.10406	0.8
272.14929	2.3
288.09937	1.1
302.11700	0.5
315.20398	1.4
331.19702	4.1
359.19281	1.6
377.20328	52.6
378.20786	1.1
378.68732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.57606	0.4
55.83670	0.4
56.96568	0.5
57.03418	0.6
57.07069	0.6
60.05649	24.7
61.02885	0.5
69.03401	1.4
70.06591	49.1
71.04969	1.6
71.33779	1.2
74.65237	0.5
76.03976	0.7
79.05469	0.8
81.03401	1.5
81.07045	2.1
82.71761	0.4
84.08138	0.5
85.02917	2.5
85.06526	1.0
88.03986	3.0
95.04972	1.6
95.06113	2.9
96.04484	1.1
97.02872	1.1
97.07617	0.7
98.06055	1.6
98.97540	0.9
107.04985	0.8
109.02832	0.9
109.06490	1.4
112.08730	5.4
113.05991	2.3
113.07115	0.6
114.05523	1.9
115.08685	2.9
116.07082	1.0
116.98583	0.7
123.04420	4.6
124.07574	0.5
126.05525	0.9
127.03868	0.8
128.07080	6.8
130.06512	0.7
130.08643	24.1
132.04457	6.0
134.99623	0.8
137.05978	5.9
138.05475	0.9
138.06624	0.6
139.03883	0.9
141.06607	0.6
146.04462	0.6
146.15674	0.4
148.03941	1.0
151.07549	0.7
155.08101	0.8
156.04158	0.8
156.06555	1.4
157.10880	1.0
172.10815	12.3
173.09206	1.4
173.48309	0.5
175.11891	1.3
177.00716	0.7
179.06920	0.9
181.08646	0.7
186.07498	0.6
188.09215	3.3
189.13467	100.0
190.13768	0.9
198.08415	0.7
204.10277	0.6
209.10083	0.7
212.12854	0.6
215.06854	1.0
215.09233	0.8
215.11380	6.5
234.99113	0.6
237.02731	0.9
240.12454	0.8
245.12495	1.3
247.14003	1.6
256.15649	0.6
272.14902	1.7
282.13614	0.5
296.15948	0.6
314.17258	0.7
315.20276	1.1
331.19751	3.3
348.90506	0.6
359.19351	1.0
377.08548	2.8
377.20309	40.9
378.02554	2.3
378.20773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
55.05503	1.1
56.96558	1.5
57.03430	2.5
57.55062	1.0
60.05632	1.3
65.03934	0.9
67.05482	1.6
69.03427	2.9
70.06596	11.9
71.04974	1.3
71.59897	1.0
72.08160	1.5
73.02933	1.5
79.05486	1.3
80.05039	1.0
81.03407	1.2
81.07047	2.0
81.89842	0.9
84.04498	3.1
84.08151	1.4
85.02906	6.8
85.04861	1.0
86.09708	1.5
87.04443	0.9
91.05491	6.1
93.07042	3.0
95.04950	2.8
95.08628	1.2
96.04482	1.1
97.02886	4.1
98.97606	1.7
99.04456	2.7
103.05486	5.6
105.06995	2.0
107.04948	3.3
109.02873	1.7
109.06487	1.2
111.04460	1.8
114.05531	1.4
115.05503	1.1
116.07076	2.9
116.98633	2.0
117.07059	1.4
119.04922	2.2
120.08134	7.9
121.06499	4.1
121.10128	1.7
123.04391	1.4
123.08098	1.7
124.07578	1.8
127.03906	2.8
129.06960	1.6
129.12959	0.9
130.04990	1.9
130.06505	2.4
131.04921	5.4
132.04431	1.2
133.02802	1.0
135.04332	1.1
135.08038	1.5
135.11685	1.2
136.03889	1.0
137.05983	13.3
139.03871	1.1
142.08742	1.3
146.06035	2.4
147.04427	2.5
147.08017	1.2
149.05989	5.0
151.03970	2.0
151.07568	9.4
153.05481	6.7
153.07004	5.2
155.08525	3.1
157.07632	2.3
161.05997	2.0
163.07561	5.0
165.05568	1.9
165.07001	9.7
166.08615	1.5
167.06979	3.6
168.05656	2.4
169.06514	1.5
175.07597	1.6
175.11903	4.2
177.09187	1.7
179.07037	1.7
179.13138	1.1
181.05101	1.5
181.06549	9.1
181.08585	9.7
182.07166	2.1
183.08057	12.9
184.05170	3.4
185.06007	4.0
187.07568	1.6
188.07121	1.4
193.06471	2.5
195.08006	1.6
196.05241	2.7
197.05940	2.5
198.06757	3.1
199.07536	7.3
199.09608	3.6
200.08041	1.1
207.04442	2.8
209.05981	3.9
210.06668	2.4
211.07532	15.2
212.04683	3.7
212.08240	1.7
213.05461	3.8
213.09149	2.4
214.14346	1.4
215.10614	2.8
215.14499	1.5
216.06761	1.3
221.05963	2.4
223.03926	6.2
223.07571	1.7
225.09116	2.8
226.06277	3.4
227.07042	19.2
228.07701	3.3
234.12346	1.3
237.03061	1.4
237.05464	4.1
239.07033	6.4
241.05133	1.6
241.08452	4.2
243.10197	11.2
245.08179	2.9
251.14757	2.3
255.06520	9.8
256.07193	1.8
257.08215	1.5
269.08130	2.5
269.15985	1.2
270.08679	1.1
271.09692	20.5
272.10092	2.6
273.07623	1.5
275.12741	2.0
285.11191	1.3
288.09946	100.0
289.10281	6.2
297.11362	1.1
300.09818	1.6
301.10773	8.4
302.11475	46.2
303.12274	46.5
313.60617	1.0
329.14249	1.3
332.11142	1.8
333.17355	1.0
345.13458	1.6
359.17258	1.3
377.19806	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39862	0.4
55.01865	1.2
55.05509	0.6
56.96561	0.5
57.03444	0.4
57.07053	0.8
57.89861	0.4
59.18223	0.3
60.04519	0.8
60.05648	6.9
60.85991	0.4
61.02913	0.5
67.05489	0.6
69.03421	1.7
69.07058	0.9
70.02943	0.5
70.06593	31.1
71.04977	1.9
71.23712	0.9
72.04522	4.1
72.08163	3.1
73.02938	2.0
79.05506	0.4
81.03400	0.4
83.04985	0.7
84.04502	1.0
84.08145	0.5
85.02894	3.0
85.06538	1.5
86.09695	1.6
88.04000	0.5
88.07632	0.7
89.07147	1.8
90.05560	0.5
95.04969	1.6
95.06106	1.1
97.02890	1.8
97.07632	1.3
98.02415	1.5
98.06065	0.8
98.97594	1.0
99.04485	0.7
99.05567	1.1
99.08132	0.4
100.03988	1.1
107.04953	1.0
109.02888	0.9
110.06059	0.6
111.04435	0.5
112.07607	0.9
112.08736	10.6
113.06007	1.6
113.07117	3.0
114.05496	0.7
114.06661	12.6
114.10280	1.0
115.08691	8.6
116.03435	1.8
116.07096	10.6
116.98623	0.7
122.05994	0.6
123.04452	2.0
124.07594	3.6
125.02377	0.4
126.05523	0.4
126.09132	1.1
127.03893	1.1
130.08755	0.7
130.09761	2.8
131.07065	0.7
132.04457	6.5
134.99652	0.4
135.04369	0.4
137.02328	2.2
137.05960	0.8
140.07074	0.5
140.08183	0.8
141.06612	0.4
142.08655	3.2
143.36052	0.4
145.04974	0.5
147.04430	0.8
148.03917	0.9
149.01115	0.4
149.05940	0.4
151.03871	0.4
151.08591	0.5
154.08521	0.6
155.03357	0.5
155.17534	0.4
157.09715	1.1
157.10867	1.0
158.08121	1.2
158.09253	15.6
158.99588	0.5
160.09685	1.2
161.01216	0.5
161.02902	0.4
166.08612	0.7
166.09825	0.6
167.07040	1.0
168.06526	0.6
168.11365	0.5
169.09752	1.9
170.08109	1.9
174.11282	0.7
175.11909	14.2
177.00713	0.7
178.04956	1.1
179.03305	0.4
179.07027	1.7
183.62708	0.4
184.09656	3.4
186.12407	2.3
187.10840	0.7
196.06085	1.5
196.10837	0.6
197.13002	0.4
201.12349	1.2
202.10783	2.5
212.10321	3.3
214.06999	0.8
219.01776	0.5
229.12971	10.2
237.02858	0.9
246.15639	12.3
256.13989	0.9
298.17697	1.2
302.14697	1.1
341.18018	0.5
358.11523	0.5
358.20834	3.9
376.21915	100.0
377.08685	0.8
377.22318	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	376.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01862	0.4
55.05495	0.4
57.03431	1.2
61.02914	0.9
67.05495	0.5
67.88687	0.3
69.03435	2.5
69.07077	1.6
69.86375	0.3
70.06590	0.5
71.01364	0.3
71.04981	1.3
71.34904	0.6
73.02904	0.5
74.10231	0.2
79.05491	0.8
81.03436	1.8
81.07050	1.1
82.06564	0.8
85.02423	0.4
85.02908	4.7
86.09711	0.4
91.05487	0.5
92.74194	0.3
93.07042	1.0
93.67556	0.3
94.06588	1.3
95.08609	0.7
96.08134	1.0
97.02905	1.9
97.06535	2.9
99.04446	0.5
99.40104	0.3
105.03400	3.7
105.07025	0.5
107.04935	0.3
107.06387	0.3
107.08582	0.7
108.08102	0.6
109.02871	1.0
109.06509	0.6
109.10149	0.5
110.06075	0.3
110.09681	0.8
119.04967	0.4
119.08562	0.4
120.08089	0.5
122.09684	1.6
123.06818	0.4
123.08059	1.4
123.11697	0.4
124.07599	25.4
124.11188	0.4
125.05982	0.4
125.07902	0.7
126.09155	2.0
127.03937	1.0
133.10138	0.9
135.08112	0.3
135.10480	0.3
135.11661	0.4
136.11203	2.5
137.06021	2.1
137.09636	0.6
138.09143	22.3
139.07568	0.3
139.09488	0.5
140.10698	1.6
143.08513	0.4
145.08827	0.4
147.72597	0.3
149.08368	0.5
150.09103	0.4
150.12790	10.0
151.11148	0.3
151.13113	0.3
152.10715	2.6
160.11163	0.4
161.09622	0.7
163.07513	0.4
166.08574	0.4
167.06969	0.3
168.10262	0.4
177.05518	0.5
178.12279	14.0
179.07060	1.2
179.10701	1.5
190.08690	0.4
191.07153	0.3
196.13341	5.3
197.08057	1.2
214.14388	100.0
215.14737	3.4
224.12791	0.5
226.14369	0.6
238.14380	0.5
256.15369	0.5
280.15393	0.5
286.11899	0.4
292.15366	0.3
326.18152	0.3
376.14920	0.3
376.19611	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	376.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59256	1.7
53.03940	4.0
55.01863	3.4
55.05502	6.6
56.96569	2.2
57.03430	4.4
64.25332	1.9
67.05492	8.2
69.03431	7.2
69.07063	4.9
69.57877	2.0
70.06583	10.6
70.22595	3.7
70.22984	4.9
71.04977	5.5
72.08121	2.3
73.02888	2.9
73.22345	1.7
79.05486	10.5
79.80427	1.6
81.03418	22.4
81.07063	19.6
82.03739	2.5
82.06573	4.3
83.04967	8.4
83.08608	8.7
83.09062	2.0
84.04504	55.5
84.08134	2.9
85.02890	21.5
85.04841	8.2
86.99018	2.3
91.05490	18.1
93.07037	8.8
94.06614	2.9
95.04945	11.6
95.08617	4.7
96.04485	6.4
97.02889	6.2
97.06511	6.7
98.20845	2.4
99.04437	2.8
99.08081	3.4
101.07151	3.8
102.05540	10.1
105.07016	8.9
107.04939	4.9
107.08603	9.9
108.08113	4.8
109.02839	3.2
109.06540	3.9
109.10095	2.7
111.08080	4.2
112.08750	2.7
114.10302	5.8
119.08572	5.4
120.08102	2.4
121.10151	7.2
122.05955	2.3
123.08080	6.7
124.07591	29.4
126.09060	2.4
127.03915	3.2
129.07014	2.6
130.05011	51.3
131.05359	13.2
131.08565	4.0
133.06540	2.6
133.08646	7.5
133.10118	9.1
134.09422	3.2
134.79886	2.0
135.11696	8.3
136.11218	4.4
137.05951	10.7
138.09151	22.6
147.07648	32.8
147.11665	4.1
148.06055	54.9
148.08009	13.7
149.09615	7.7
150.12788	8.8
151.03894	3.5
151.07555	5.6
151.11162	3.2
152.10628	2.1
153.05505	2.6
157.10170	6.9
161.05882	2.2
161.09628	5.4
167.07054	2.7
168.12570	9.2
175.11156	2.5
178.12227	10.1
179.06966	2.8
179.10681	18.5
186.35587	2.3
193.12262	17.9
196.13347	5.2
197.11726	54.0
211.13289	45.8
212.13588	7.4
214.14377	100.0
215.14796	2.2
230.08441	6.4
235.38815	2.3
247.11026	2.6
250.14397	12.6
251.14920	2.0
286.11472	1.9
314.15994	7.3
332.16754	2.8
358.14014	4.3
358.18518	9.5
359.12280	3.9
376.14868	6.4
376.19714	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	376.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52735	0.7
55.05505	1.4
57.03438	0.9
65.03938	1.0
67.05491	2.4
69.03422	2.9
69.07058	2.5
70.06584	1.4
70.69109	1.7
70.69518	1.3
71.02074	0.6
71.04979	2.0
79.05503	2.5
81.03420	5.3
81.07060	5.1
82.06567	1.2
83.04983	1.6
83.08602	2.4
84.04512	10.0
85.02921	6.2
86.09665	0.7
86.99059	0.8
91.05479	2.5
93.07039	2.9
94.06567	0.9
95.04979	1.9
95.08598	3.5
96.04505	1.0
96.08099	1.0
96.56995	0.6
97.02874	2.9
97.06514	2.6
98.09637	0.9
99.08081	2.8
102.05541	2.0
103.26411	0.7
105.00040	1.3
105.07018	2.6
107.08604	5.1
108.08125	1.7
108.08927	1.0
109.02879	1.0
109.06483	0.9
109.10172	1.3
110.09711	1.1
111.08076	1.3
117.03243	0.8
119.08608	1.3
121.06374	0.9
121.10140	2.2
122.09673	1.4
122.10487	1.0
123.07003	0.7
123.08052	2.3
124.07597	23.0
126.09128	2.1
127.03913	2.0
130.05002	8.1
131.05370	1.3
131.08575	0.7
133.10120	4.9
134.09409	0.7
135.11684	3.6
136.11218	2.0
137.05998	3.0
137.09697	0.8
138.09151	20.5
140.10654	0.9
147.07608	4.1
148.05109	1.0
148.06100	7.3
148.07950	2.1
149.09598	2.1
150.12769	9.0
151.03893	0.9
151.11136	0.7
152.10689	2.9
161.05907	0.7
161.09637	2.5
167.07048	1.0
175.11241	0.7
177.05594	0.7
177.16377	2.7
178.12291	10.4
178.16728	4.1
179.07056	1.2
179.10687	6.0
182.18127	0.8
184.07613	0.7
193.12224	2.2
196.13315	4.9
197.11743	22.4
211.13298	8.7
212.13586	0.9
214.14392	100.0
215.14732	1.6
230.08423	2.6
247.11154	1.8
250.14346	2.2
268.15390	0.9
286.16397	0.9
314.15897	1.1
358.13892	1.2
358.18494	2.6
376.15250	1.1
376.19528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01860	1.1
55.05507	1.0
57.03431	1.6
60.91169	0.8
61.02911	2.3
67.05525	0.9
69.03428	4.3
69.07066	1.4
70.06596	1.6
71.04990	1.2
71.57536	1.2
79.05466	1.8
81.03410	2.9
81.07052	5.7
82.06541	1.1
83.05006	1.1
83.08598	0.9
84.04500	5.5
85.02906	8.6
90.70935	0.8
91.03928	1.5
91.05476	2.1
93.07027	2.8
95.04963	1.9
95.08600	2.0
96.04457	1.8
96.08117	1.8
97.02874	3.8
97.06509	2.2
99.04469	1.1
99.08090	1.8
102.05601	1.1
105.00068	1.1
105.07022	1.4
107.08580	2.0
109.02898	1.6
109.06492	1.0
114.10319	1.0
119.08587	0.9
121.06490	2.0
123.04435	5.7
123.08073	4.3
124.07588	25.2
126.09147	1.3
127.03926	3.0
130.05006	2.9
136.05127	1.1
136.11188	2.1
137.05978	34.8
137.09648	1.2
138.09123	16.5
138.10068	1.5
139.03882	1.3
140.10684	2.1
145.04974	1.5
147.07677	1.8
148.06015	3.5
150.12775	9.2
151.07547	46.4
152.07957	0.9
152.10663	1.2
168.14084	0.9
178.12248	10.5
179.07036	88.5
179.10442	4.1
180.07402	1.7
196.13330	5.4
197.08090	72.8
197.11780	2.7
198.08525	1.4
205.56982	1.0
211.13315	2.9
213.07426	1.1
214.14383	100.0
215.09267	0.9
216.07678	0.9
230.08472	2.3
243.08748	2.7
247.11050	1.3
250.14404	2.4
268.15335	1.0
314.16028	0.9
332.16995	1.5
341.69012	0.9
376.15045	2.4
376.19724	6.7
377.08957	5.6
377.14212	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	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12446	1.3
56.96578	2.5
57.03429	1.5
61.02922	3.2
64.26453	1.3
69.03428	7.6
69.60836	5.3
69.61258	5.0
70.06599	3.0
73.02908	1.5
76.81821	1.6
81.03409	2.5
85.02901	23.6
86.09695	1.7
91.03990	1.6
91.05475	6.0
95.04996	2.7
97.02897	7.8
98.97570	2.5
99.04482	2.0
107.04935	5.5
109.02857	3.5
116.07080	1.8
116.98645	1.8
117.69861	1.3
119.04944	15.3
121.02821	1.6
121.06475	3.1
123.04407	6.4
123.08102	1.7
125.05927	1.5
127.03896	6.2
132.04474	18.4
133.06464	1.6
134.99646	1.9
135.04416	7.9
137.05977	40.7
138.77309	1.3
145.04984	5.8
147.04410	30.1
148.03870	1.8
149.05980	7.8
149.57597	1.4
151.03908	4.4
151.07536	20.6
158.99710	1.9
163.03928	1.8
163.07494	1.9
167.07051	24.0
179.07037	100.0
180.07367	1.8
189.13438	2.2
197.06244	1.6
197.08084	34.6
198.08467	2.0
215.06822	1.9
219.01764	1.8
237.02660	2.1
268.22565	1.5
297.16293	1.5
377.08368	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	375.2379
Annotation	Manglieside C
Peak:m/z	Relative Intensity
50.21446	1.1
53.03947	2.1
54.60214	1.3
55.01878	7.4
55.05508	18.6
57.03442	6.2
57.07069	3.5
59.04995	3.8
61.02919	11.1
63.59813	1.2
67.05498	8.2
67.92956	1.2
69.03429	30.6
69.07066	35.9
69.28941	3.4
69.29362	10.4
71.04991	10.6
73.02917	19.0
75.09213	1.1
79.05497	4.5
81.03416	13.8
81.07057	28.5
83.04983	6.7
83.08620	8.7
85.02905	74.6
85.06547	21.2
86.44846	1.2
87.04465	7.6
91.03960	5.7
91.05488	2.8
93.07050	13.8
95.08602	36.1
97.02888	22.8
97.06547	4.2
97.10159	9.8
98.97509	1.4
99.04472	5.1
99.08100	24.2
103.05467	1.2
105.07037	3.2
107.08589	21.0
109.02878	7.7
109.10147	16.9
111.08072	3.4
111.11739	5.9
113.09611	6.9
119.08585	1.7
121.10139	34.7
123.04397	1.8
123.11705	9.6
125.09646	7.8
127.03912	14.4
129.12869	1.5
131.04956	1.2
135.11690	17.4
137.05969	16.1
137.13263	21.5
139.11200	9.6
139.12140	1.7
145.04962	14.7
147.04314	1.3
149.05986	3.5
149.13263	5.0
151.07530	1.9
151.14824	5.6
153.12769	11.9
161.05995	7.8
163.07535	2.0
165.06946	1.7
167.07022	2.0
175.07466	1.3
177.09166	1.9
177.16386	100.0
178.16718	2.8
181.06525	1.7
191.06952	1.8
193.06435	1.6
195.17445	46.4
196.17804	1.6
210.06825	2.6
211.07510	2.2
213.18500	67.0
214.18774	1.6
219.17648	1.4
221.05966	2.1
222.06813	2.4
225.09137	2.5
227.06812	1.2
238.06337	2.0
241.08498	1.8
251.07057	2.4
252.07613	1.2
253.08626	12.4
254.09001	2.2
270.08865	4.0
273.11221	7.1
279.06604	1.3
285.11237	7.6
299.09180	3.5
311.09174	4.7
315.08752	2.5
325.10770	4.5
327.11545	1.3
339.12134	1.7
345.13263	4.9
357.13364	13.3
358.13828	1.2
375.14587	8.5
375.19089	1.8
375.23703	9.8
376.14700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03939	2.1
53.35893	1.4
55.01859	1.8
55.05513	6.9
57.03431	3.5
57.07074	4.1
67.05492	7.4
68.32476	1.4
69.03416	7.2
69.07069	11.6
69.90530	3.4
69.90934	8.2
71.04985	7.3
73.02925	3.0
79.05488	9.3
81.03438	1.7
81.07063	34.7
83.04970	1.8
83.08617	7.0
85.02914	15.3
85.06538	7.3
91.05476	20.4
92.05817	5.4
93.07029	18.5
95.08611	49.5
97.02882	4.8
97.10166	3.7
99.08081	4.3
105.07039	6.2
106.44144	1.5
107.08609	34.2
109.02858	2.5
109.10160	17.1
111.08060	3.0
117.06928	1.8
119.08539	2.9
121.06553	2.1
121.10151	49.8
123.04446	3.0
123.11705	6.2
125.09685	2.3
127.03884	4.0
127.62854	1.7
131.04883	2.0
133.06502	5.6
133.10120	2.2
135.11699	15.0
137.05988	12.0
137.13257	15.6
139.11180	3.6
139.85963	1.7
145.04967	2.2
147.04327	1.5
149.13239	4.6
151.07562	5.7
161.05995	3.8
163.07515	4.4
167.07051	7.4
177.09108	23.7
177.16396	100.0
193.08588	14.7
195.10095	2.4
195.17451	13.3
213.18486	22.7
220.78030	1.7
221.11684	1.9
240.77354	1.6
253.08722	1.9
256.96964	1.5
339.11487	2.1
357.13135	3.5
375.07117	5.5
375.14523	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	375.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01871	6.9
55.05515	14.5
57.03435	6.4
57.07072	3.6
59.04985	3.4
61.02928	9.6
67.05512	7.2
68.95834	0.9
69.03436	31.1
69.07069	35.7
70.64821	3.2
70.65185	1.0
71.05001	8.7
71.08648	1.2
73.02919	19.2
79.05492	4.7
81.03424	11.5
81.07062	27.6
83.04979	5.5
83.08631	7.4
85.02911	65.8
85.06063	2.0
85.06546	19.2
86.03249	1.2
87.04485	6.0
91.03956	4.1
91.05473	3.6
93.07059	12.8
94.07374	1.2
94.23141	1.0
95.04980	2.3
95.08609	41.0
96.08952	1.4
97.02902	20.8
97.06536	3.9
97.10180	10.0
99.04449	4.9
99.08098	21.3
101.02373	1.0
101.06039	1.4
103.05518	1.6
105.07047	4.1
107.07880	1.6
107.08597	22.0
108.08920	1.1
109.02887	6.9
109.06534	1.4
109.10166	18.0
111.08089	4.3
111.11734	5.6
113.09667	7.4
121.06522	2.2
121.09307	2.2
121.10156	34.4
122.10471	1.5
123.04440	1.6
123.08086	1.6
123.11720	10.5
125.09646	6.6
125.13270	2.3
127.03925	19.9
127.11260	2.0
129.12747	1.8
131.04877	1.7
133.10188	1.4
135.11713	15.1
136.12074	1.1
137.05994	16.1
137.13257	19.8
139.11180	6.4
145.04970	13.8
149.05994	1.8
149.13298	5.1
151.03877	1.3
151.07552	2.2
151.14803	4.9
153.12746	14.0
161.06000	9.1
163.03825	1.2
163.07521	1.4
165.06999	2.3
167.07074	2.7
169.08704	1.1
177.09103	1.7
177.16396	100.0
178.16708	5.7
181.06421	2.4
182.07268	1.9
191.07109	1.2
194.07347	1.1
195.07938	1.6
195.17451	41.3
196.17726	2.0
197.06126	1.0
208.05275	2.2
209.05981	1.3
209.08057	1.7
210.06770	2.2
211.07613	1.2
213.09142	1.6
213.18507	63.6
214.18851	3.6
221.06033	2.0
222.06793	1.3
225.09070	2.1
233.08282	2.2
238.06186	1.1
240.07747	2.0
241.08566	1.2
253.08635	12.6
254.09134	1.3
258.08929	1.6
259.03210	1.1
268.07358	1.2
270.08936	4.2
273.11288	6.4
284.10471	1.6
285.11255	9.3
295.09689	1.3
299.09259	2.5
311.08981	5.3
325.10614	4.7
326.10715	1.4
339.12323	1.6
345.13345	4.7
357.13348	11.8
358.13574	1.6
375.06882	1.5
375.14398	10.8
375.23907	8.1
376.14462	1.4
386.06128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69514	0.8
62.00384	0.7
65.03453	0.7
67.05504	0.8
69.94138	0.7
70.06574	0.8
70.66684	1.7
71.04982	0.6
79.05476	2.0
81.07039	1.9
85.02938	0.6
90.36742	0.7
91.05455	2.5
93.07036	2.2
93.74058	0.7
95.04970	0.8
95.08586	1.9
103.05447	1.7
105.07028	9.6
107.04962	0.9
107.08608	1.0
115.05470	1.8
117.03457	0.8
117.07022	3.4
119.04935	1.6
119.08562	0.9
121.06538	1.4
123.04416	2.1
123.08060	2.1
131.04996	0.8
133.06491	9.5
135.08041	2.0
137.05969	3.2
143.08577	0.8
145.06433	1.1
149.09541	1.4
151.03897	1.5
151.07535	10.1
161.05971	8.8
162.06735	1.7
163.07530	1.6
167.07048	14.1
171.08084	0.8
175.07521	2.6
177.09111	100.0
178.09460	3.2
193.08606	39.8
194.08925	1.1
195.10199	6.1
203.10553	0.9
221.11722	7.1
297.11288	0.9
315.12299	1.1
357.13269	1.6
360.08490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1803
Annotation	Kobusinol A
Peak:m/z	Relative Intensity
53.03941	0.8
55.01874	0.5
55.70710	0.4
64.90583	0.4
65.03927	0.7
67.05492	1.1
69.30011	0.6
69.30413	4.5
70.06573	0.5
78.04696	1.4
79.05499	4.3
81.03422	0.7
81.07082	2.5
85.02911	0.7
85.06557	0.6
86.09699	0.5
91.05476	3.5
93.07062	0.9
94.04190	2.4
95.04953	1.4
95.08610	1.1
96.06809	0.5
103.05467	10.3
105.07032	5.3
106.04185	1.0
107.04973	5.3
107.08591	0.8
109.06510	1.9
109.10150	0.5
115.05436	1.7
117.07004	1.1
119.04968	1.0
119.08568	1.0
121.06499	1.4
122.03635	8.2
123.04443	3.6
123.08074	1.7
124.05197	2.1
128.06218	1.0
129.06992	1.0
131.04933	13.3
133.06505	6.1
133.10101	0.6
135.08055	5.4
136.05176	0.7
137.05978	100.0
138.06331	2.2
141.07013	0.9
143.04930	1.0
144.05675	0.7
145.06482	2.0
147.04362	1.1
147.08060	1.8
149.05908	1.1
149.46791	0.5
151.03911	1.6
151.07549	8.1
152.04602	0.9
153.05515	0.8
157.06490	1.0
158.07248	0.5
159.08096	0.5
160.05196	1.3
161.06003	2.5
163.07545	34.9
164.07841	0.9
165.09172	1.0
167.07043	48.0
168.07335	0.7
171.08044	1.2
172.05119	0.6
175.07567	5.0
175.14737	0.6
175.44427	0.5
177.09108	4.4
179.07027	1.8
181.08574	1.1
187.07533	2.4
189.05336	0.5
189.09070	1.4
190.07788	0.6
193.08621	5.6
201.09058	0.7
203.10651	1.4
205.08498	0.9
207.10101	1.1
219.10185	1.8
233.09637	0.9
233.11765	0.5
265.12134	0.7
275.11020	0.5
292.22467	0.6
293.11710	2.4
295.13287	0.5
325.14459	4.0
357.13266	0.9
357.16965	3.6
364.93671	0.5
375.14395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58421	0.6
52.64462	0.5
53.44223	0.5
55.01865	0.6
55.05507	2.1
56.96561	0.5
57.01176	0.5
57.03421	0.6
58.25550	0.5
59.05005	0.6
59.48513	0.6
60.05625	0.6
61.02919	1.8
65.17242	0.5
67.05505	1.5
69.03429	1.2
69.07056	1.0
70.06588	4.5
71.04989	1.0
71.49787	1.0
72.08161	1.2
73.02888	0.9
79.05499	1.7
81.03430	2.8
81.07047	1.2
82.06567	0.9
83.04968	1.8
83.08604	1.2
84.04498	3.4
84.08152	6.6
85.02918	4.0
86.09745	0.9
90.24483	0.5
91.05473	1.5
93.07038	1.3
95.04951	1.2
96.04479	2.2
97.02876	1.5
97.06507	0.6
98.06046	0.6
98.97586	1.3
105.07067	0.6
107.04946	1.0
107.08603	1.0
109.02905	0.8
109.10130	1.3
112.11240	1.1
113.02393	0.7
114.05521	0.6
114.10316	2.7
115.08689	1.2
116.07113	1.3
116.98644	0.7
121.06516	0.7
121.10136	1.9
121.43652	0.6
124.03969	0.8
124.82134	0.6
125.02282	0.8
127.03928	1.9
128.07091	1.8
130.05006	5.9
130.08662	3.3
131.08591	0.8
135.08047	1.2
135.11592	0.6
137.05962	2.9
145.04935	0.7
147.07645	5.9
147.11301	4.5
149.09621	1.4
157.09956	0.6
158.08102	0.7
162.95602	0.6
167.07057	0.9
175.12000	1.0
179.07048	1.0
181.05020	0.7
185.04222	1.8
190.84540	0.5
193.12224	1.8
195.06551	1.0
208.09741	0.6
208.37993	0.6
211.13327	3.5
213.07359	100.0
214.07690	1.7
237.02980	0.8
242.27951	0.6
243.10861	1.8
250.14429	5.1
261.11945	0.7
268.15469	2.2
268.19046	1.0
269.88690	0.5
331.18750	3.0
357.23801	2.3
375.12619	47.9
375.18213	2.7
376.13010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1073
Annotation	Eriostemin
Peak:m/z	Relative Intensity
55.05520	0.8
58.38094	0.7
70.03996	2.6
79.05466	0.9
81.07056	0.7
93.07064	0.7
98.20860	0.9
107.08585	1.1
114.85517	0.7
133.30598	0.7
144.92102	0.7
167.03471	4.0
167.07065	0.6
201.05360	0.8
218.05653	0.7
225.29413	0.6
229.04936	1.5
231.06546	1.0
243.06519	2.5
246.05276	1.3
257.04593	1.0
257.08130	1.0
258.12598	1.6
261.07559	1.0
271.06113	5.4
274.04742	3.0
275.05429	0.7
285.04059	1.7
285.07501	1.4
286.04965	0.8
286.08261	1.0
289.07068	6.1
299.05557	3.9
300.06348	0.8
302.04227	3.0
313.03326	1.4
314.04233	15.9
314.07489	0.8
315.04913	5.6
316.05807	1.8
317.06497	6.2
327.05038	2.1
328.05511	1.0
330.03622	1.8
331.04535	1.5
331.08209	1.3
333.18982	0.8
334.19318	2.7
343.08151	1.3
344.05185	1.4
345.06042	35.4
346.06619	2.5
352.20346	3.2
359.07593	10.3
360.08380	18.8
375.10742	100.0
375.20828	3.2
376.11017	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	375.1076
Annotation	5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.05512	0.4
56.96548	0.4
57.03404	0.3
67.05506	0.6
68.68498	0.2
69.03421	0.5
69.07068	0.3
71.04989	0.3
71.59644	0.3
77.55275	0.2
78.04692	0.4
79.05498	1.1
81.03413	0.7
81.07056	1.0
85.02905	0.5
91.05492	1.1
93.07045	0.6
95.04952	0.7
95.08630	0.4
97.02906	0.4
99.04501	0.3
103.05457	1.1
105.07039	1.8
107.04948	0.9
107.08582	0.5
109.02879	0.5
109.06490	0.3
109.10135	0.5
111.04409	0.4
115.05456	0.5
117.07043	0.6
119.04964	0.6
119.08614	0.4
121.02896	0.4
121.06514	0.5
121.10145	0.5
122.03642	0.9
123.04440	0.7
123.08043	0.3
123.11667	0.4
131.04924	1.4
132.04422	0.3
133.06529	2.0
135.08093	0.7
137.02333	1.0
137.05986	7.7
145.06502	0.6
147.04440	0.6
149.05952	0.4
150.03131	0.3
151.03911	0.9
151.07539	2.2
153.01920	0.3
153.05502	0.8
161.06023	1.6
162.06660	0.3
163.07542	2.3
165.01892	0.3
165.05536	0.3
166.02612	0.4
167.03397	0.9
167.07053	6.5
167.08426	0.5
169.06584	0.4
173.05954	0.3
175.07570	0.8
175.14868	0.3
176.04605	0.3
177.05670	0.4
177.09111	14.1
178.02701	0.5
178.09610	0.3
179.06961	0.2
181.05023	0.6
187.07593	0.8
189.09070	0.4
193.08612	6.1
194.05814	0.3
195.10275	1.3
197.05966	0.9
198.06773	0.4
199.07648	0.3
200.04652	0.5
201.05399	0.5
203.07060	0.7
213.05553	0.6
215.07141	0.7
219.10068	0.4
221.11729	1.3
225.05482	1.4
226.06226	0.3
227.07054	0.3
228.04140	0.7
229.04985	1.7
237.02939	0.3
237.05435	0.5
239.07039	0.5
240.07907	0.7
241.05023	0.6
241.08235	0.3
242.05795	0.6
243.06598	1.6
247.06161	0.3
253.04889	1.9
254.05632	0.5
255.06538	1.9
256.03699	2.0
257.04449	1.9
258.05203	0.3
259.05981	0.5
259.08490	0.6
267.06473	0.4
268.03757	0.5
269.04379	1.0
270.05261	1.1
271.06036	4.0
272.06439	0.3
273.04138	0.6
274.04663	0.6
281.04651	0.5
283.06097	1.2
283.09216	0.4
284.03250	1.2
284.06375	0.3
285.03986	5.5
285.07474	0.9
286.04477	0.6
286.08365	0.6
287.05441	1.0
289.07108	0.3
296.03119	0.4
297.04086	0.6
298.04742	1.5
299.05521	3.2
299.08966	0.6
300.06171	0.3
302.04184	2.1
311.05594	0.8
313.03537	2.2
313.06961	0.6
314.04337	1.8
314.07825	22.8
315.04916	2.4
315.08337	1.5
315.11954	0.5
316.05624	0.3
317.03098	0.3
317.06567	3.7
325.10538	0.4
326.04236	0.7
327.04953	0.9
329.06540	5.0
330.03711	0.4
330.07211	0.9
331.04620	0.4
331.08133	1.5
341.06580	2.2
342.07339	6.9
343.04620	0.4
343.08118	1.7
344.05185	0.7
345.06082	11.5
346.06711	2.6
357.13211	0.5
357.17145	0.4
359.07629	10.5
360.08368	10.0
360.12976	0.3
361.08868	0.8
375.10757	100.0
375.19965	5.0
376.11090	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	375.1076
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
57.03412	0.1
67.01841	0.4
68.99780	0.2
69.03409	0.2
70.13966	0.1
76.94469	0.1
79.05460	0.2
81.03431	0.1
85.02900	0.2
91.05460	0.1
94.11813	0.2
95.01340	0.2
95.04955	0.6
98.21568	0.3
108.02084	0.2
109.02863	0.4
110.03637	0.2
111.04434	0.4
121.02905	0.3
123.04391	0.4
125.02335	1.2
125.05973	0.6
131.04892	0.2
135.04437	0.1
137.02351	0.4
137.05977	0.4
138.03137	0.2
138.06732	0.4
139.03894	0.2
140.04691	0.2
141.05434	0.2
145.02844	0.1
146.18713	0.1
149.02345	0.7
151.03932	1.0
153.05475	0.8
155.03439	0.1
161.05991	0.2
162.03117	0.3
163.03903	0.8
164.04710	0.2
165.05464	0.2
166.06261	1.6
166.86668	0.1
167.03397	19.7
168.03743	0.6
177.01848	0.1
177.05475	0.4
179.03395	1.5
180.04079	0.2
181.04958	1.3
181.08565	0.4
183.02934	0.2
184.03635	0.2
184.05190	0.2
185.05954	0.2
187.03986	0.2
189.05481	1.6
191.03349	0.5
192.03941	0.1
192.66293	0.1
193.04961	0.8
194.05757	1.7
195.02954	0.1
197.04465	0.5
199.07512	0.2
200.04486	0.1
201.05487	1.5
201.51335	0.1
202.06082	0.2
205.01350	0.2
205.04997	0.4
205.08511	0.2
209.04463	0.3
211.03958	0.1
211.07489	0.1
213.05452	0.6
215.07051	0.7
217.04961	0.4
218.05696	0.3
219.02855	0.3
219.06561	0.4
220.03693	0.2
223.02383	0.2
227.07024	0.9
228.04120	0.2
228.07736	0.2
229.04959	2.5
230.05582	0.4
231.06566	0.4
232.03740	0.2
233.04446	0.6
233.08061	0.7
235.05928	0.2
237.03844	0.2
238.04697	0.8
240.04172	0.2
241.04977	0.7
242.05737	0.3
243.06529	3.1
244.07224	0.5
245.04442	0.2
245.08240	0.2
246.05244	1.7
247.05942	0.5
253.04881	0.2
254.05721	0.1
255.06578	0.5
256.03754	0.2
256.07315	0.5
257.04495	2.6
257.08127	0.3
258.05273	0.7
259.06064	0.5
259.09711	0.5
261.03656	0.2
261.04819	0.2
261.07574	2.0
261.10071	0.2
262.07852	0.2
267.02994	0.2
269.04504	0.6
269.07947	0.1
270.05127	0.2
271.06012	4.1
272.06787	1.3
273.07504	0.5
274.04727	1.9
275.05536	0.7
282.05090	0.2
283.05994	0.4
283.09198	0.1
284.06738	0.4
285.03915	1.1
286.04645	0.2
287.05591	0.6
287.09103	3.4
288.06247	0.4
289.07056	10.0
290.07358	0.4
294.36557	0.1
297.03909	1.7
298.04584	0.3
299.05542	2.6
299.08795	0.2
300.06216	1.1
301.07077	0.9
302.04150	0.2
303.08600	0.3
310.04645	0.3
311.05490	0.3
312.06262	3.9
313.03381	0.7
313.06961	0.5
314.04199	0.4
315.05209	0.5
315.08594	9.8
316.05698	0.4
316.09067	0.3
317.06549	11.1
318.06903	0.4
327.05020	3.5
328.05692	1.3
329.06418	0.9
331.08124	3.9
332.08817	2.0
342.07425	0.1
343.08121	13.5
344.08487	0.7
345.06039	37.7
346.06390	2.1
359.07571	0.7
360.08380	12.3
361.08908	0.6
375.10730	100.0
376.11090	5.8
376.14774	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	375.1074
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
52.94399	0.5
54.11383	0.5
55.01849	0.5
67.05496	0.8
70.25703	2.3
77.43402	0.5
81.03413	0.8
112.49816	0.6
121.10076	0.6
123.04433	0.7
133.02835	0.9
146.03630	0.6
164.04688	2.4
165.05484	0.7
167.03410	7.7
181.04979	1.1
188.79451	0.6
192.04175	2.7
194.05716	0.9
201.05522	0.7
218.05647	0.8
229.04936	1.4
243.06509	2.1
245.04448	0.7
246.05125	1.1
255.09921	2.4
257.04501	1.4
261.07574	1.1
271.05981	4.6
272.06583	1.0
274.04773	3.0
283.06030	0.6
285.03879	1.6
285.07529	1.7
286.04785	0.7
287.02551	0.6
287.05624	0.6
289.07047	3.8
299.05579	3.7
300.06284	6.7
301.06863	2.2
301.10248	0.5
302.04242	2.6
313.03500	0.9
313.07065	0.9
314.04236	10.4
314.07599	0.4
315.04987	1.8
315.08609	12.3
315.12067	1.3
316.05746	1.0
316.09045	2.5
317.03302	1.1
317.06543	7.3
327.04861	0.9
329.06531	4.7
330.03653	0.6
331.04578	1.2
331.08185	1.8
332.08984	1.4
341.06393	1.5
343.08087	0.7
344.05090	1.0
345.06128	7.1
346.06848	0.6
353.16190	1.1
359.07632	5.4
360.08414	54.3
361.08664	2.7
375.10745	100.0
376.11203	6.3
389.05444	4.6
392.04007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1075
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.01859	0.2
55.05514	0.3
56.96576	0.7
57.03426	0.4
61.02916	0.2
61.60456	0.1
65.03935	0.3
67.05487	0.6
69.03413	0.4
69.07059	0.4
70.06586	0.3
71.59902	0.2
73.02914	0.4
79.05498	0.6
81.03409	0.4
81.07051	0.8
83.04984	0.2
83.20259	0.2
85.02911	1.0
90.04681	0.2
91.05489	0.6
93.03416	0.3
93.07033	0.7
95.04963	0.7
95.08625	0.3
97.02892	0.4
97.06523	0.2
98.97588	0.3
105.07006	0.3
107.04958	0.3
107.08601	0.3
109.02871	0.5
109.10096	0.2
111.04440	0.3
116.98621	0.5
118.04167	0.5
119.08648	0.3
121.02888	0.4
121.10120	0.2
123.04433	0.4
125.02361	0.3
127.03915	0.3
131.00179	0.3
131.04900	0.2
131.08566	0.2
133.02849	0.3
134.99626	0.2
135.04408	0.3
135.08127	0.2
135.11693	0.2
137.06018	0.8
139.03908	0.3
143.08600	0.2
145.06476	0.2
146.03645	0.6
146.99612	0.2
147.04373	0.2
149.01239	0.8
149.02333	0.3
151.03903	0.6
151.07552	0.2
153.05466	0.7
154.06235	0.6
156.03600	0.3
161.05954	0.3
163.07524	0.2
164.04691	2.8
165.05466	0.5
167.02376	0.4
167.03430	7.2
167.07059	1.3
174.03008	0.2
175.07564	0.5
175.11475	0.2
176.04631	0.3
177.00691	0.3
177.05460	0.2
177.09090	0.4
179.03412	0.8
181.04980	1.9
191.06970	0.2
192.04169	1.7
193.04968	0.6
193.08636	0.2
194.05779	0.5
197.04456	0.4
201.05524	0.2
213.05499	0.3
215.07033	0.5
217.04997	0.4
218.05756	0.8
219.02943	0.3
221.04459	0.2
227.07053	0.3
229.05000	0.7
231.06577	0.4
233.08070	0.4
237.08896	0.3
237.59111	0.3
241.05104	0.2
242.05722	0.2
243.06558	2.4
244.07234	0.4
244.09644	0.7
244.59769	1.3
245.04494	0.3
245.09926	0.2
246.05270	1.5
252.09108	0.2
252.59619	0.9
255.06412	0.4
256.03641	0.3
256.07190	0.2
257.04483	1.3
257.08096	0.4
258.05240	0.3
258.08850	0.3
259.06076	0.6
260.06693	0.2
261.07492	1.1
268.07446	0.2
269.04590	0.2
271.06027	3.6
272.06729	0.6
273.04111	0.2
273.07443	0.3
274.04678	2.5
275.05325	0.3
283.05942	0.5
284.03146	0.2
284.06778	0.2
285.03973	1.6
285.07605	1.7
286.04672	0.4
286.08304	0.8
287.05521	0.7
287.08936	0.3
288.06421	0.2
289.07111	4.9
290.07382	0.2
293.63470	1.1
297.07660	0.2
298.04715	0.4
299.02209	0.2
299.05502	3.0
300.02823	0.3
300.06235	1.1
301.07083	1.3
302.04248	2.6
302.07578	0.3
311.05676	0.3
313.03403	1.1
313.07181	0.8
314.04239	12.3
314.07761	1.0
315.04916	2.8
315.08542	0.7
316.05826	1.7
316.09207	0.3
317.06580	8.5
318.06851	0.4
318.61664	0.5
325.07013	0.2
325.12106	0.2
325.62469	1.1
326.04105	0.2
326.12415	0.4
327.05103	1.4
328.05670	0.4
329.06558	3.9
330.03696	1.1
330.07071	0.3
331.04489	1.3
331.08194	1.6
332.08783	1.0
333.62180	0.2
341.06586	0.9
342.07315	0.3
343.04376	0.4
343.08197	1.3
344.05075	0.9
345.06073	13.3
346.06482	0.9
357.13370	0.3
359.07626	7.6
360.08411	44.3
361.08792	2.4
374.66360	0.3
375.10760	100.0
376.11102	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	375.1073
Annotation	Eriostemin
Peak:m/z	Relative Intensity
55.05513	4.4
67.05499	3.2
69.07071	2.5
69.97948	12.9
70.06611	2.7
79.05501	2.7
81.07046	5.5
88.47099	2.2
91.05489	5.3
93.07037	4.3
94.01186	2.3
98.20768	3.5
105.07040	4.9
106.54771	2.2
107.04939	3.9
111.04331	2.1
111.53792	2.1
115.74571	2.2
116.45229	2.1
119.08611	4.0
121.10086	3.5
137.05923	4.5
153.01854	3.2
161.09691	2.8
163.11134	2.3
167.03380	2.7
167.06982	3.3
181.05075	3.1
233.04497	2.7
238.63387	2.3
257.04514	4.6
274.04739	3.6
276.24011	2.3
280.64069	2.4
285.03958	5.8
289.06921	2.8
299.05484	5.6
302.04440	2.9
313.03363	7.9
314.03906	3.6
315.05014	2.9
315.12338	5.2
317.06522	6.6
329.06442	6.4
345.06094	35.9
357.08603	6.3
357.13147	3.3
360.08405	20.5
375.10693	100.0
376.10971	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	375.1074
Annotation	8,3'-Dihydroxy-5,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
67.05498	0.8
69.67136	4.4
77.44521	0.6
79.05470	0.8
82.20769	0.5
95.04983	0.7
95.08600	0.7
98.20714	0.6
105.07027	1.0
125.02316	0.7
135.08064	0.9
137.05994	1.0
142.63162	0.7
149.02417	0.7
149.94521	0.5
153.05482	1.1
163.03963	1.2
166.06317	1.5
167.01959	0.9
167.03410	17.6
179.03432	1.4
181.04906	1.1
181.08658	0.7
189.05467	1.6
193.05029	0.7
194.05803	1.4
197.04491	0.8
201.05447	1.3
215.07054	0.7
227.07129	1.0
229.05011	2.2
241.05037	1.0
243.06480	3.9
246.05206	1.9
257.04507	2.6
258.04858	0.8
259.09644	0.7
261.07553	1.3
267.06766	0.6
269.04279	0.7
271.06055	4.0
272.06741	1.0
274.04773	1.7
285.04013	1.0
287.06006	1.2
287.09189	4.2
288.06393	0.8
289.07098	10.1
290.07410	0.7
297.03995	1.8
299.05569	2.1
300.06287	1.1
312.06296	3.8
313.03488	0.9
313.06961	0.8
314.04211	1.2
315.08615	9.3
317.06638	9.8
318.06894	1.0
319.39587	0.6
327.05054	3.0
328.05774	1.4
331.08087	4.4
332.09030	2.1
334.19382	0.9
343.08151	12.7
344.08685	0.9
345.06082	34.9
346.06677	1.4
352.19275	1.9
359.07849	0.9
360.08435	11.8
361.08688	0.7
375.10779	100.0
375.20963	1.9
376.11081	5.6
382.75629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77863	1.0
55.05506	1.4
56.81355	0.9
56.96576	1.1
57.60050	0.8
58.48022	0.9
67.05522	1.2
69.07072	2.6
71.60039	1.4
77.00909	5.6
79.05493	2.8
81.07070	2.5
83.08704	0.9
85.53867	0.8
88.83192	0.8
91.05518	2.2
93.07036	1.1
95.01950	4.3
95.04992	1.1
95.08626	1.2
105.07038	2.1
107.08615	2.1
109.10190	1.0
117.07001	2.7
119.08607	2.9
131.08603	1.1
133.10071	1.0
137.09673	1.0
143.08534	1.7
144.53632	1.1
145.10158	4.1
145.70511	0.9
147.05058	2.5
147.11760	1.0
159.05014	1.0
169.07187	1.3
171.05020	1.9
173.06328	1.2
173.94125	0.9
175.77565	1.0
179.05687	1.0
185.06728	1.1
187.08197	3.9
188.05280	1.2
199.08163	1.7
201.09685	2.2
203.09381	1.4
209.10283	1.1
213.09764	3.8
215.11319	1.6
216.10217	21.0
217.10605	1.9
218.55551	1.0
221.10269	1.6
225.06200	1.1
227.11118	2.4
239.07715	1.9
239.11398	2.3
241.12862	1.9
244.13443	4.0
251.11588	1.1
253.12622	1.9
257.12390	2.0
263.11157	1.5
265.12802	2.4
269.12531	2.1
270.14914	7.8
277.12881	3.9
283.13950	3.3
295.11057	1.0
295.13846	5.6
298.18100	3.9
302.17563	13.5
309.19119	1.7
313.16492	1.4
315.18060	27.2
316.18457	2.3
330.20612	11.4
331.21103	1.0
333.19141	57.0
334.19315	4.3
351.20209	100.0
352.20450	7.4
356.20731	9.5
374.09610	1.9
374.21982	23.2
375.10678	2.0
375.22043	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	26.0
57.02243	0.5
58.66460	0.5
70.33463	1.7
70.33861	1.2
71.95266	5.0
72.96022	1.0
74.97611	2.0
76.19329	0.6
79.55067	0.5
84.96019	2.0
92.98641	0.9
97.49390	0.5
97.96848	1.1
105.07100	0.6
107.08579	0.5
109.02406	0.5
110.97567	3.8
112.45821	0.5
115.97839	1.5
116.98651	0.8
123.01189	1.7
128.98611	9.9
129.09122	0.9
133.98836	0.9
137.02753	0.9
141.02191	0.9
143.00148	1.0
146.41481	0.6
146.99657	17.1
147.03262	1.1
152.00166	0.6
155.03790	1.1
156.24800	0.6
161.01254	2.7
161.04805	0.6
165.00742	4.5
165.05832	0.6
170.01259	2.8
171.03300	1.2
175.02740	0.6
179.02280	1.7
185.04837	0.8
188.02269	0.6
189.04321	2.5
193.03915	0.7
193.07634	0.6
195.05376	0.8
195.07056	0.7
199.06419	0.7
201.04306	0.8
203.05988	2.5
205.07411	0.8
233.31139	0.6
241.11101	2.2
245.08376	0.7
245.10606	0.9
252.10336	1.0
259.12213	1.7
263.09494	4.4
264.10242	1.0
265.10950	0.9
270.11404	1.3
277.11203	0.6
281.10538	2.4
289.10794	0.9
303.12656	2.0
304.12726	0.6
313.14697	0.8
315.16269	40.4
316.16736	1.6
317.14185	0.9
321.13583	0.7
331.15546	2.8
333.17358	100.0
334.17651	5.0
351.18420	46.1
352.18683	2.4
354.17496	0.9
356.18961	31.9
357.19293	2.4
369.19452	0.7
374.19992	12.0
375.20676	0.9
381.01318	0.7
397.21667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76198	0.6
59.20567	0.6
67.05487	1.4
70.56611	1.0
70.57013	1.1
77.00864	0.7
79.05484	1.0
81.07046	0.9
91.05486	2.7
96.08130	2.3
105.07026	2.5
114.74274	0.6
115.05440	1.4
117.07018	12.2
119.08585	8.3
121.94508	0.6
124.07555	1.1
128.06236	0.8
129.06969	1.3
130.07773	1.3
131.08569	1.4
132.78351	0.7
136.07571	1.4
143.08569	3.8
145.06500	1.8
145.08974	1.2
145.10110	13.3
147.07948	1.4
147.11708	1.6
150.77637	0.7
155.08543	5.1
157.10103	1.6
158.07228	1.1
160.11217	1.2
162.80000	0.6
169.10103	2.1
169.23029	0.6
171.08086	1.7
171.11668	1.3
172.11203	0.7
173.05962	6.6
173.08305	0.8
173.09630	3.5
181.10115	1.1
182.10878	1.3
183.11681	2.2
188.10654	3.7
192.09322	0.9
197.13275	3.9
200.10648	0.9
201.09259	1.1
203.09329	0.8
207.11613	2.2
214.08716	1.5
216.10194	100.0
217.10516	4.2
225.12749	3.7
242.15411	1.5
244.13342	24.5
245.13652	1.2
252.13939	2.2
253.12215	3.7
268.13309	0.7
270.14886	35.1
271.15106	2.4
281.15439	1.5
298.18021	18.4
298.21405	1.1
299.18243	1.3
302.17499	73.5
303.17664	3.2
315.17914	3.7
330.20627	61.2
331.20956	3.3
333.19080	5.7
351.20132	11.9
374.09543	0.9
374.19449	14.9
375.20279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01859	1.9
55.05508	3.2
56.05021	0.7
56.96553	1.4
57.03428	2.1
57.07068	1.3
59.04996	0.7
61.02906	1.7
65.03926	0.9
67.05514	3.4
69.02840	0.6
69.03436	6.9
69.07068	3.7
70.06581	2.6
71.04986	2.6
71.57952	0.8
72.08144	1.6
73.02909	1.4
77.03887	0.7
79.05494	4.2
81.03419	3.0
81.07062	11.1
83.04993	2.9
83.08610	1.1
84.04504	2.4
84.08110	1.7
85.02909	20.2
85.06525	1.1
86.09697	1.1
87.04465	1.2
89.03902	1.1
91.03941	1.1
91.05457	7.2
93.07040	7.1
95.04973	4.5
95.08610	16.1
97.02904	8.4
97.06549	0.9
98.97591	1.8
99.04444	1.9
99.08109	9.6
101.02380	0.6
103.05466	1.3
105.07039	12.2
107.04965	7.5
107.08598	11.3
109.02871	2.5
109.06508	1.7
109.10160	6.9
110.07154	0.6
111.04421	0.9
111.08095	0.6
113.09624	1.8
115.05476	0.8
115.77792	0.6
116.07063	0.7
116.98598	2.2
117.03364	2.0
117.07009	1.2
119.04925	0.5
119.08588	44.6
121.06536	1.0
121.10114	2.0
123.04410	1.7
123.08088	1.6
123.11710	2.9
125.05994	0.7
127.03914	5.2
128.98625	1.0
129.06995	0.8
130.04991	0.9
131.00154	0.6
131.08574	1.4
133.10136	66.8
134.10521	1.3
134.99634	1.1
135.04433	1.4
135.08096	3.3
135.11691	14.2
137.05980	2.2
137.09630	3.9
139.03864	1.0
140.03427	0.7
140.07063	1.1
143.02254	0.6
145.02840	7.0
145.04924	3.5
145.10100	1.4
146.99588	0.6
147.04381	1.0
147.11717	4.1
149.05988	1.8
149.13348	0.8
151.03943	1.2
151.11169	0.6
153.05455	0.9
153.09094	0.6
155.10698	1.3
156.27937	0.7
157.06480	0.8
158.99706	1.0
160.12450	0.7
161.06065	0.9
163.03896	2.8
163.07550	6.7
164.04199	1.5
165.05482	0.8
167.07065	4.4
173.13281	0.7
175.14833	100.0
176.15208	2.9
177.00723	1.6
177.05475	19.4
180.08582	0.6
182.08144	1.4
193.04965	1.8
193.08652	1.1
193.15891	16.5
194.11795	0.9
195.06570	11.2
195.10132	3.3
200.04665	0.8
200.30156	0.6
205.05074	0.8
211.09474	0.9
211.16931	11.1
212.12880	0.8
219.01709	0.9
219.06561	1.2
222.55949	3.2
223.09161	0.6
232.09573	0.7
233.04427	1.7
234.98965	0.7
237.02934	1.4
243.07350	0.8
254.00816	0.5
273.07538	0.6
283.61777	1.1
299.14954	0.7
319.02814	0.7
319.08179	0.8
334.53369	0.6
338.16168	0.6
346.03888	0.7
358.08200	2.9
364.04788	1.0
373.05511	0.8
373.14270	2.1
373.18381	34.7
373.64978	1.2
374.05698	0.7
374.18762	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51187	0.4
53.03942	0.4
55.05503	2.3
57.03418	1.3
57.07070	0.9
59.05016	0.6
61.02919	2.3
67.05499	2.5
69.03431	4.2
69.07058	3.4
71.04981	2.0
71.57436	1.0
71.98708	0.5
73.02926	0.6
79.05501	3.0
81.03420	2.2
81.07057	12.7
82.84679	0.5
83.04971	0.8
83.08618	1.2
84.08179	0.4
85.02909	15.7
85.06567	0.8
91.05474	4.8
93.07044	8.4
95.04950	1.4
95.08613	16.1
97.02903	4.5
97.06545	0.6
99.04462	0.5
99.08090	3.4
103.05476	1.0
103.50136	0.4
105.07035	12.5
107.04959	4.4
107.08596	10.0
109.02852	1.4
109.06513	1.1
109.10176	6.9
111.04447	0.6
113.09643	1.8
117.07000	1.2
119.08585	47.1
120.08860	0.5
121.10168	3.8
123.08057	1.3
123.11707	4.0
127.03908	2.3
131.08563	1.3
133.10135	58.6
133.22481	0.4
134.10455	1.3
135.08057	1.9
135.11700	14.3
137.05965	0.7
137.09630	1.6
139.11169	1.3
145.04997	2.9
145.10097	0.9
146.10847	0.5
147.11702	3.6
149.05931	0.5
149.13271	1.5
151.07552	0.6
151.11179	1.4
161.05995	0.8
163.03920	0.5
163.07530	4.3
163.14859	0.8
167.07059	2.7
173.13258	0.7
175.14833	100.0
176.15192	2.3
181.04985	0.6
181.31317	0.5
193.15901	13.3
194.16275	0.6
195.10234	3.0
195.11809	0.5
203.10744	0.4
205.10948	0.5
211.16948	9.4
267.71799	0.5
282.98260	0.5
319.06146	0.5
367.86191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26367	1.9
51.78355	1.6
52.25987	1.9
53.03950	4.2
55.01862	4.2
55.05503	8.8
56.05033	2.9
57.03434	4.7
59.04987	2.5
61.02921	4.2
67.05512	15.5
69.03415	11.5
69.07056	8.8
69.67984	15.2
70.06585	4.7
71.04992	5.7
72.08126	3.0
73.02895	4.6
74.06879	2.3
79.05493	11.0
81.03412	12.7
81.07051	16.8
83.04987	13.0
83.06089	4.0
83.08595	2.5
84.04493	7.7
84.07752	1.9
84.08151	19.7
85.02909	32.1
85.06529	4.6
86.09711	62.5
91.05466	11.9
93.07059	15.8
95.04978	22.5
95.08598	12.2
97.02889	11.0
97.06520	8.2
99.04442	3.8
103.03942	5.5
103.05468	3.3
105.07027	11.1
107.04951	8.4
107.08618	11.5
109.02880	7.1
109.06538	12.0
109.10163	24.8
111.04444	11.2
111.08064	6.9
112.80265	1.9
114.10366	2.1
117.07022	3.0
119.08573	19.4
121.06483	5.3
121.10147	18.1
123.04417	3.3
123.08046	5.8
123.11685	8.2
124.07611	2.1
125.05989	3.4
125.09632	3.2
127.03897	8.5
129.05482	3.8
129.10240	3.6
130.04999	2.0
130.06529	2.7
130.08662	3.2
131.04932	2.3
131.08583	4.0
131.11803	10.3
132.10187	4.0
133.10118	27.0
135.08096	4.2
135.11703	13.4
136.07550	4.6
137.05980	17.1
137.09595	10.0
138.09097	3.8
139.03908	2.9
139.11169	12.0
145.04971	8.1
145.10112	5.3
147.04475	2.3
147.11575	5.0
149.05984	5.5
149.09587	3.9
149.13295	6.2
151.03888	5.6
151.07562	3.5
151.11171	4.3
153.12698	4.6
157.07603	7.5
159.09268	2.5
159.11627	2.4
161.05994	3.4
162.05489	2.4
163.07504	6.9
163.11243	3.0
165.16266	2.8
167.07072	11.4
170.06047	2.1
171.11658	3.2
173.09616	2.5
173.11806	2.6
173.13193	4.5
175.07552	2.7
175.14806	17.7
176.10745	3.2
177.05443	3.5
177.09096	2.9
179.07080	3.1
181.12210	6.4
185.13165	2.3
187.14833	2.1
191.06987	2.4
191.10643	3.6
191.14336	2.7
193.08702	2.1
193.15900	10.5
194.11775	3.5
197.08035	3.4
197.12988	3.5
205.08621	2.4
211.16954	3.6
212.12891	14.1
215.09105	5.6
215.14259	2.6
217.15698	2.7
225.12279	5.4
231.17561	2.1
233.15247	4.2
235.16920	8.3
242.15050	21.9
277.18060	4.0
297.11069	2.4
309.58115	2.4
319.19333	3.5
337.20746	5.4
355.22034	13.9
367.92365	2.0
373.18292	100.0
373.23209	21.8
374.18527	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
55.01880	3.9
55.05509	18.0
57.03439	8.5
57.07073	4.5
57.27425	3.1
59.05002	4.2
61.02919	7.4
63.07172	2.3
63.34418	2.6
67.05502	28.7
68.12848	2.6
69.03439	23.3
69.07058	24.4
69.40974	9.4
69.41389	14.9
70.06596	9.1
71.04999	12.1
72.08160	4.4
73.02920	5.2
79.05488	10.1
81.03405	13.3
81.07068	32.7
83.04984	12.3
83.08616	10.5
84.04506	11.7
84.08149	5.8
85.02908	62.3
85.06540	8.4
86.09702	25.3
87.04520	3.2
91.05460	16.1
93.07055	26.8
95.04961	14.3
95.08601	48.5
97.02895	16.9
97.06554	6.9
99.04462	10.4
99.08089	56.4
103.05463	3.4
105.07031	27.7
107.04971	7.6
107.08600	38.6
109.02892	11.2
109.06515	12.2
109.10151	100.0
111.04414	3.3
111.08084	7.4
119.08581	55.0
119.09364	5.0
121.10144	51.2
123.08058	12.8
123.11704	28.4
124.07561	3.0
125.09666	8.0
127.03915	20.2
130.05019	3.6
130.06532	17.9
131.04950	7.3
131.08578	6.1
132.10275	3.3
133.10132	44.9
135.08121	3.0
135.11684	58.4
137.05939	20.2
137.09622	23.1
137.13231	3.7
137.59254	2.8
139.11221	14.1
145.04965	13.3
145.10178	2.7
147.11681	8.0
149.13272	19.3
151.03859	3.2
151.07567	4.1
151.11194	6.8
151.14828	9.3
153.05449	6.5
155.10634	9.8
157.07620	27.6
159.09180	3.5
161.06097	3.7
161.09637	4.7
163.07556	9.8
163.14825	3.4
165.16422	7.3
166.12323	4.9
167.07050	12.8
173.13306	4.0
173.99106	2.7
175.07584	8.3
175.14833	72.1
176.10747	4.9
177.05478	3.6
177.09171	7.2
179.06995	5.6
193.08635	5.3
193.15881	88.1
194.11810	8.2
195.10133	3.4
197.11664	2.9
211.16936	50.6
212.12744	5.8
214.09747	10.2
215.13885	3.8
243.13496	4.5
269.33185	2.8
283.09558	2.9
341.13812	8.4
350.89993	3.3
373.09323	13.3
373.13342	6.0
373.18472	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	373.2223
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.03944	1.8
55.01865	2.1
55.05510	13.9
57.03431	3.6
57.07083	1.1
59.05003	6.4
61.02920	2.4
65.03957	1.0
67.05175	1.1
67.05511	19.0
69.03436	13.5
69.07075	7.7
69.84884	4.3
70.06583	1.9
71.04977	4.5
73.02912	1.9
73.95324	0.8
79.05502	4.5
81.03429	5.3
81.07058	12.8
82.70204	0.9
83.04985	58.4
83.08614	2.0
84.04507	1.5
84.05327	1.1
85.02910	28.4
85.06544	2.9
86.09710	1.8
91.05473	3.6
93.07034	9.6
95.04968	11.9
95.08608	15.7
97.02914	5.3
97.06542	1.9
98.20721	1.2
99.04476	6.1
99.08083	1.7
101.06072	1.1
103.03970	0.9
105.07033	3.0
107.04933	1.5
107.08590	8.6
109.02881	2.5
109.06510	6.8
109.10162	36.6
111.08057	2.4
117.07036	1.0
119.08593	8.1
121.10133	3.5
123.08070	4.3
123.11712	3.1
124.07609	1.0
125.05989	1.3
125.09650	2.3
127.03930	8.2
133.10146	8.0
135.08051	1.4
135.11702	11.6
137.09621	100.0
137.13217	1.6
138.09961	1.8
145.04956	3.3
145.10173	1.1
147.07961	1.1
147.09962	0.9
147.11702	1.5
149.13254	1.9
151.07613	1.0
151.11183	1.6
153.05565	1.2
153.12749	1.0
155.10674	14.8
157.09999	1.0
163.06094	1.4
163.07471	1.0
165.09206	1.0
165.16356	1.3
167.07121	1.5
175.14841	7.3
177.05478	1.1
179.10716	1.0
193.15887	66.4
194.16310	1.4
195.06561	1.7
211.16922	2.4
277.10767	1.0
299.14868	3.1
333.65393	0.9
355.21347	1.1
373.18295	6.0
373.22443	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33689	0.4
55.01877	0.8
55.05510	1.5
56.96556	0.7
57.03432	0.8
61.02911	1.5
67.05520	2.3
69.03437	2.2
69.07053	1.6
70.06596	2.0
71.04981	1.0
71.57831	0.5
72.08152	1.4
73.02894	0.8
79.05484	1.6
81.03406	1.8
81.07055	2.4
83.04982	1.3
83.08640	0.4
83.95540	0.4
84.04520	0.9
84.08134	0.6
85.02911	6.8
85.06551	0.5
86.09702	1.0
87.04441	1.8
91.05476	1.6
93.07053	3.1
95.04970	3.6
95.08624	3.1
97.02885	1.8
97.06530	1.0
99.04489	0.7
99.08087	1.0
103.03939	1.0
103.05490	0.6
105.07048	2.5
107.05007	1.8
107.05602	0.4
107.08594	2.4
109.02879	1.4
109.06503	1.6
109.10154	4.7
111.04424	0.8
111.08066	0.9
113.06006	0.4
116.07073	0.6
117.07030	0.8
117.26655	0.4
119.08591	3.2
120.08099	2.1
121.06486	1.0
121.10145	3.4
123.04462	1.1
123.08069	1.2
123.11686	1.9
125.06028	0.8
125.09657	0.4
127.03960	2.2
129.05437	0.5
129.10252	0.5
130.04959	0.4
133.06447	0.5
133.08679	0.5
133.09171	0.5
133.10143	4.9
135.04440	0.4
135.08063	1.7
135.11682	2.9
136.07558	0.4
137.06004	2.2
137.09616	1.9
139.03955	0.4
139.11220	2.8
145.04984	1.4
145.06516	0.8
145.10103	0.5
147.04417	0.5
147.11707	0.8
149.05959	0.7
149.09598	0.5
149.13237	0.7
151.03915	1.2
151.07503	0.5
151.11134	0.9
153.05446	0.9
155.11816	1.0
155.62004	1.1
159.11624	0.5
161.05994	0.4
161.09564	0.7
161.13405	0.5
162.05505	3.5
163.03905	0.6
163.06256	0.4
163.07549	1.7
165.05476	0.6
166.08656	1.6
167.07042	2.5
173.13246	0.6
175.02415	0.5
175.07509	0.7
175.14838	4.8
177.05470	3.3
177.13074	1.0
177.63292	1.5
179.00383	0.5
187.14854	0.5
191.03336	0.4
191.07031	0.9
191.14386	0.6
193.04988	0.7
193.08575	0.6
193.15921	2.8
195.06561	1.3
195.10181	1.1
197.08148	0.6
201.05525	0.4
203.14005	0.4
208.06064	1.1
211.06146	0.5
211.16969	1.2
212.03748	1.1
212.12837	2.2
215.09149	1.4
217.08595	0.4
217.15892	0.4
231.17061	0.5
235.16969	0.8
237.02835	0.6
263.07263	0.4
264.10184	1.1
265.08514	0.5
276.63586	0.4
277.17889	0.6
299.14944	0.6
301.17853	0.7
307.10620	0.4
310.10696	0.8
319.19324	0.5
337.20193	0.5
355.17105	0.4
355.21152	0.6
373.18350	100.0
374.13803	0.8
374.18695	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97211	1.4
55.05513	1.6
61.02919	1.6
63.35526	1.3
64.97721	1.5
69.03432	3.2
69.07053	2.3
69.65231	6.9
69.65636	3.1
72.44466	1.3
79.05489	2.1
81.07053	8.6
85.02898	11.1
91.05501	4.6
93.07042	4.3
95.08604	10.8
97.02870	2.4
99.08080	3.1
105.07016	8.0
107.08609	8.6
109.10156	1.7
113.09635	2.8
119.08582	46.0
121.10194	2.9
123.11712	4.0
126.48883	1.4
127.03949	3.2
133.10133	53.3
135.11685	10.4
141.77071	1.2
147.11697	3.6
155.03423	2.5
175.14833	100.0
176.15167	1.6
193.15901	10.8
195.17599	1.3
211.09633	2.7
211.16917	5.1
248.84769	1.3
331.03839	1.3
337.43079	1.3
373.18457	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	373.2222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
51.65487	3.3
55.05510	9.8
64.34171	3.4
67.05509	22.1
69.03443	9.2
69.07064	19.6
70.06592	6.5
70.72898	10.9
71.04984	5.2
79.05484	7.7
81.03422	8.0
81.07060	27.7
83.04982	11.1
83.08611	5.3
85.02923	20.6
85.03354	3.8
85.06532	4.6
91.05487	10.5
93.07048	23.3
93.16846	3.3
95.04973	5.0
95.08613	46.0
96.42153	4.1
97.02869	5.4
97.10172	3.6
98.03464	3.7
99.08078	8.4
105.07032	16.6
107.08585	26.9
109.02904	9.4
109.06535	11.8
109.09459	5.6
109.10165	81.9
113.09637	4.6
119.08566	54.9
121.10143	14.5
122.87646	4.0
123.08073	10.5
123.11708	11.6
127.03895	5.9
133.10136	57.6
135.11699	94.1
137.06001	5.2
137.09595	17.5
149.13292	9.9
151.11205	9.6
151.14803	9.4
167.07103	5.7
175.07555	5.7
175.14847	95.9
193.15889	60.5
211.16943	100.0
217.09419	4.2
249.20709	4.1
373.09128	5.4
373.17294	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	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.03434	0.6
67.05491	1.3
69.03419	1.3
69.07042	1.0
69.28088	4.5
70.06583	1.5
71.04993	0.8
72.08142	0.8
73.02920	0.6
79.05478	1.3
81.03423	0.9
81.07068	2.4
83.04961	0.7
84.04491	0.8
84.08141	1.2
85.02911	4.5
86.09691	0.6
87.04459	0.9
88.56033	0.4
91.05473	1.2
93.07032	1.9
95.04984	2.1
95.08591	1.7
97.02889	1.7
97.06523	0.8
99.08099	1.1
103.05441	0.9
105.07024	1.7
107.04964	2.5
107.08616	2.2
109.02880	1.1
109.06519	0.7
109.10157	2.7
111.04440	0.5
114.10321	0.7
116.07114	0.5
117.07027	0.8
119.08584	2.6
120.08098	3.7
121.06508	0.6
121.10129	2.2
123.04420	0.5
123.08074	0.5
123.11717	1.5
127.03902	1.3
130.04990	0.5
131.04929	0.8
133.06474	0.6
133.10139	3.0
135.08087	1.2
135.11697	2.4
137.05981	1.9
137.09590	1.0
139.03882	0.5
139.11163	1.2
144.04385	0.5
145.04877	0.7
145.06522	0.8
145.10210	0.6
146.14897	0.5
147.04424	0.8
147.11665	0.6
151.07503	0.6
151.11142	0.4
153.05424	0.6
155.10698	0.6
155.61996	0.6
162.05490	6.5
163.05965	0.6
163.07542	2.4
163.09805	0.4
166.08676	1.7
167.06989	2.9
173.13263	0.5
175.14839	3.9
177.05476	2.3
177.13020	0.9
177.63313	0.5
193.15898	2.1
195.06557	0.8
195.10229	0.8
201.05489	0.5
208.06149	1.7
211.09248	0.4
211.13069	0.6
211.16962	1.1
212.03755	1.0
212.12788	1.2
213.57747	0.5
221.05534	0.5
235.16985	0.5
263.07370	0.8
264.10251	1.3
310.10736	1.1
373.18332	100.0
374.18616	2.9
379.03827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	Naphthgeranin C
Peak:m/z	Relative Intensity
55.05498	0.6
65.03947	2.9
67.05523	0.9
68.24923	0.4
69.03426	2.3
69.07058	0.8
69.38593	3.2
70.06617	0.4
71.05024	0.4
71.54220	0.4
79.05479	0.8
80.10998	0.4
81.03421	0.8
81.07057	1.9
83.04981	0.8
85.02905	2.4
85.06535	0.5
91.05484	100.0
92.05823	2.8
93.07043	1.4
95.04962	1.0
95.08618	2.4
97.02870	0.6
99.04441	0.5
105.07026	2.8
107.04932	0.8
107.08603	1.5
109.02887	0.6
109.10155	1.6
111.04444	0.6
113.09681	0.4
117.06997	0.9
119.04956	0.5
119.08601	6.0
121.06550	0.5
121.10149	0.7
123.04453	0.5
123.08115	0.5
125.06027	0.4
127.03915	0.4
131.04962	1.3
131.08618	0.5
133.06419	0.4
133.10139	5.5
135.04393	0.5
135.11694	1.3
137.05937	0.7
145.06500	0.7
147.11693	0.6
150.09346	0.4
159.04468	0.4
161.05978	0.9
163.03894	0.4
163.07550	0.6
167.03432	2.7
167.07036	1.3
173.06003	0.6
175.07547	1.2
175.14824	10.7
177.05528	0.9
181.04921	0.6
187.04021	0.5
191.07042	1.5
193.08612	1.5
193.15910	2.3
193.83206	0.4
207.08102	0.5
211.16911	0.8
226.63390	0.4
228.04283	0.7
229.04906	1.4
235.07790	0.6
237.09082	0.5
239.07069	1.3
245.04285	0.5
246.05243	1.2
247.05986	2.9
251.07080	1.0
257.08008	0.5
267.10245	0.5
269.08026	0.5
277.08527	0.5
281.07947	0.4
283.08115	0.9
293.08151	1.4
309.11075	0.8
311.09216	1.1
319.09714	2.9
327.12326	0.6
329.13864	0.6
337.10709	10.8
338.11011	0.9
341.13641	1.1
355.07925	0.8
355.11795	4.8
373.12805	3.9
373.17041	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0916
Annotation	Grewin
Peak:m/z	Relative Intensity
55.05494	1.3
56.96568	1.5
57.59420	0.7
67.05478	1.2
68.03542	0.8
69.03423	1.1
71.04995	1.2
71.60474	1.5
79.05486	1.2
81.07039	1.8
84.79559	0.7
85.02871	0.8
91.05461	1.2
93.07043	1.1
105.07050	1.4
106.33408	0.8
107.04902	0.9
107.08591	1.0
109.10178	1.4
111.04420	1.0
118.04166	1.0
133.10048	1.0
146.03633	1.1
149.05983	1.7
151.07591	1.0
153.05432	1.4
161.06100	0.8
167.03394	18.1
174.03047	0.8
179.03430	1.5
184.48918	0.7
192.04163	6.2
207.06512	4.2
219.06561	1.4
221.65729	0.8
227.06960	1.0
231.06415	0.8
241.04922	1.1
247.06049	5.3
255.06516	2.4
256.07275	2.0
269.04440	4.6
279.02917	0.8
283.05948	8.0
284.06747	1.8
285.07547	1.2
294.05371	1.1
295.06122	1.3
296.03427	1.3
297.03867	6.0
299.05438	4.0
301.06967	1.6
309.03940	1.5
311.05487	43.9
312.06207	9.8
313.06842	1.1
315.04825	1.0
326.04160	3.0
327.05035	1.9
327.08649	12.8
329.06522	7.6
330.07315	2.0
337.03494	1.2
339.05014	15.4
340.05746	10.6
345.09659	6.8
355.08118	100.0
356.08337	3.9
373.09180	42.9
373.24249	1.6
374.09335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74715	4.5
53.27839	4.8
55.01842	6.9
55.05500	11.7
56.96553	15.1
57.03428	8.7
61.02922	11.7
67.05492	20.2
69.03422	10.5
69.07066	21.0
70.06587	5.3
70.50772	17.3
71.04977	9.1
73.02906	14.2
77.85640	4.8
79.05489	15.2
81.03413	18.6
81.07057	19.9
85.02909	15.0
91.05482	14.8
93.07022	13.8
95.04933	10.7
95.08591	14.5
97.02903	8.8
97.06523	12.6
98.97591	10.0
99.04411	6.4
105.07034	7.1
107.04961	8.0
107.08587	5.8
109.10160	10.8
116.98615	7.5
119.08575	6.9
121.06546	6.1
123.04441	5.5
127.03864	4.8
131.00211	7.3
131.05022	5.4
133.10185	9.1
134.99600	7.8
137.05989	12.2
145.06413	6.6
146.99657	6.5
149.01263	10.2
149.09431	4.5
156.03580	6.9
161.05978	5.8
166.05325	4.9
167.07059	34.3
167.54457	11.7
168.07391	20.8
171.04695	5.3
175.07520	5.9
177.00781	6.2
177.05475	6.4
187.07449	5.6
219.94098	5.2
220.10442	8.2
251.08601	10.5
283.08472	6.9
285.10062	8.7
292.12482	100.0
327.12262	6.1
332.11377	8.6
340.12576	9.3
354.02319	5.6
354.14096	6.5
372.15225	22.4
373.14963	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	371.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01876	1.6
55.05507	6.7
57.03428	1.3
57.07064	1.0
61.02928	1.2
67.05495	7.6
67.12611	0.9
69.03410	1.3
69.07080	2.8
69.42561	0.9
71.08641	13.1
79.05492	4.4
81.03429	4.4
81.07053	7.1
83.04960	1.9
83.08617	3.1
85.02890	1.8
91.05440	2.7
93.07063	4.7
95.04988	2.3
95.08633	3.7
97.10162	6.7
99.08103	11.3
99.66006	1.2
101.02393	1.2
101.06007	1.3
105.07053	4.1
107.08603	3.5
109.06552	1.8
109.10168	5.1
110.06004	1.6
111.04438	3.0
111.08082	2.3
113.70815	1.0
117.07011	1.1
119.08604	4.1
121.10149	3.7
123.04423	3.2
125.09645	6.1
129.07021	1.3
131.08551	1.4
132.04466	2.5
133.10095	1.6
135.08116	1.5
135.11665	1.2
137.09622	2.1
145.10133	1.5
147.06569	2.4
147.08055	1.1
147.11691	1.7
153.09161	1.3
155.10635	1.5
163.11209	1.2
166.12245	6.1
167.07059	2.0
171.10208	1.4
173.11707	1.6
188.10664	2.8
189.11238	17.9
191.10703	1.3
192.10265	2.4
193.12256	100.0
194.12587	2.1
202.12302	3.2
211.13322	1.7
216.13768	1.2
229.40059	1.6
272.20218	1.6
273.18478	2.6
291.19568	21.5
300.19577	10.5
309.20648	12.8
318.20660	62.3
319.21167	1.7
336.17746	1.3
336.21710	19.8
349.16821	2.4
371.16052	3.1
371.25629	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	372.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.3
65.54004	0.3
68.45240	0.3
70.06576	0.4
71.57874	0.3
71.58271	0.4
71.95250	1.0
74.97604	0.4
77.00877	0.4
88.07629	0.6
91.05444	0.3
91.81728	0.3
95.08609	0.3
98.97569	0.9
109.10159	0.6
110.97563	0.5
116.98617	0.9
128.98642	2.2
134.99661	0.8
139.00684	0.3
140.00186	0.3
146.99689	3.0
149.01213	0.7
153.02238	0.4
154.07756	0.4
157.01691	0.7
161.01198	0.7
165.00691	1.1
167.03711	0.5
169.01733	0.6
171.03264	1.4
173.06535	0.3
173.11891	0.3
175.02753	0.5
179.02257	0.4
181.05281	0.4
183.03297	0.4
185.04819	2.2
189.04372	1.9
191.05902	0.3
199.06438	2.7
201.04312	0.4
202.05188	0.3
203.05913	4.9
205.07556	0.7
211.06357	1.0
213.07925	0.4
217.04263	2.2
217.07462	8.0
217.09450	0.6
221.06944	0.8
222.07988	0.6
223.02791	1.6
223.06380	0.4
223.08481	0.9
225.04321	0.5
225.08011	0.5
226.05109	1.0
226.07280	0.5
229.07487	0.6
231.06943	0.7
231.08986	0.5
237.04282	3.4
237.07996	0.6
238.05191	0.5
239.09465	0.6
240.09071	0.8
241.03754	0.9
243.08977	0.5
245.10594	0.4
246.04378	0.3
249.07983	0.6
251.05745	0.4
253.11101	1.0
255.05382	0.8
255.09055	0.5
257.10580	0.5
260.05884	0.6
262.08649	0.6
265.07419	0.3
267.09018	1.9
271.12195	0.9
280.09787	2.8
281.10455	0.9
285.09949	1.5
289.14743	0.4
297.09854	0.4
298.10843	1.8
299.11481	0.3
303.08026	0.4
303.11316	0.6
307.15961	1.7
310.31223	0.4
319.15530	0.3
325.16656	0.6
331.15698	18.7
349.16827	100.0
350.17139	2.7
354.18839	0.3
367.17935	4.5
372.18427	28.3
372.34641	1.8
373.18701	1.6
377.19699	0.3
390.19357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.4
67.05499	3.0
69.03423	6.1
69.07047	4.3
70.06556	2.9
70.15521	2.0
70.72086	4.5
70.72421	2.5
71.17723	1.9
73.02908	2.1
79.05466	5.3
81.07049	9.2
83.08621	1.9
85.02890	7.7
91.05473	6.1
93.07028	6.9
95.04977	4.2
95.08592	2.9
95.67130	2.1
97.02888	3.5
97.06517	3.0
101.06035	2.1
105.07037	9.0
107.04978	3.6
107.08597	14.8
109.06506	8.6
109.10150	6.1
110.97571	2.2
111.04408	2.9
119.08535	4.0
121.06485	2.9
121.10133	11.6
122.07301	2.6
123.04411	2.2
126.39484	1.9
130.07506	1.8
131.08540	9.3
133.10132	100.0
134.10452	2.9
135.08022	11.2
135.11702	2.7
137.05986	8.1
137.09621	50.8
145.10107	2.9
147.04378	2.4
147.11629	2.5
149.09631	3.0
149.13232	8.6
151.11099	2.8
156.05774	1.8
159.07953	2.1
163.03952	2.3
163.07510	2.3
163.14841	5.0
167.07068	22.8
173.13275	14.8
175.07565	4.2
191.14314	49.1
192.14653	2.6
209.08012	3.4
209.15306	10.4
217.08618	5.6
235.71770	2.1
277.08810	2.2
285.07730	2.4
293.11624	3.2
300.09872	2.5
321.11163	3.4
339.12259	6.0
353.13901	3.3
371.14688	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	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
51.74846	0.3
53.03947	0.5
55.01867	0.7
55.05508	0.7
57.03429	1.1
59.04996	0.3
61.02932	1.6
65.03938	0.7
67.05499	1.8
69.03436	4.0
69.07043	0.6
70.06599	0.5
70.15641	0.7
70.16039	0.6
71.04999	4.9
73.02934	0.6
79.05489	0.9
81.03407	2.0
81.07063	0.9
81.58134	0.3
83.04979	2.0
83.08614	0.6
85.02910	9.4
85.06543	1.2
87.04476	0.6
89.06023	1.6
91.05424	0.4
93.07061	1.5
95.04975	100.0
95.08614	1.0
96.05307	2.0
97.02893	3.1
97.06548	0.8
99.04461	21.8
99.08105	0.7
105.07043	1.3
107.08594	1.1
109.02895	1.2
109.06548	1.0
109.10152	1.4
111.04447	0.5
111.08089	1.2
112.33715	0.3
115.07568	0.3
119.08559	0.5
121.10145	0.7
123.08028	0.3
125.09653	0.3
127.03926	1.8
131.04938	0.3
131.08562	0.8
133.08641	0.7
133.09171	0.4
133.10139	4.7
135.08061	0.9
135.11670	0.3
137.05988	0.6
137.09641	0.6
139.11200	1.0
145.04974	1.4
145.10126	0.4
147.11749	0.4
149.09563	0.4
149.13258	0.4
151.11206	1.3
153.09117	32.2
154.09453	1.1
163.07632	0.4
163.14920	0.4
167.07027	1.9
167.14337	0.4
173.13280	3.4
174.13782	0.3
181.12231	0.4
182.09457	0.3
191.14299	2.7
193.05045	0.8
193.08566	0.3
209.04697	0.3
209.08176	0.5
209.15379	33.6
210.15736	1.2
285.01016	0.3
309.11813	0.3
335.18579	0.3
371.16696	1.1
371.21075	0.8
393.64865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91338	3.9
55.01874	8.7
55.05510	21.6
57.03433	6.0
57.07080	5.0
61.02917	6.2
67.05499	8.0
69.03429	21.9
69.07067	4.8
69.72670	25.8
71.04978	4.8
79.05491	6.7
81.03426	10.8
81.07048	14.9
83.04989	24.8
83.08613	17.1
85.02907	29.9
88.20173	3.7
91.05479	8.0
93.07031	12.3
95.04976	46.7
95.08601	6.6
97.02886	9.2
97.06538	6.5
98.09692	4.9
99.04454	13.4
100.11270	6.5
105.07030	10.9
107.04980	5.9
107.08576	22.9
109.06507	13.0
109.10156	10.9
111.08062	5.9
119.04916	3.7
119.08592	7.7
121.10155	11.0
123.08052	5.1
125.06015	4.8
127.03912	10.8
129.05421	4.4
129.07005	4.9
131.08524	5.3
133.06512	4.4
133.10133	100.0
135.08066	10.2
135.11763	7.3
137.05945	8.6
137.09612	62.7
139.11176	9.1
145.04970	4.2
147.04501	4.7
147.11667	6.8
149.13275	14.1
151.07658	4.4
151.11172	11.9
153.05486	8.8
153.09134	13.6
163.11159	7.2
167.07024	24.4
167.08353	4.6
167.14348	11.7
169.12286	5.0
173.13280	13.1
181.04900	8.0
181.12256	13.6
191.14301	54.0
207.06532	6.5
209.15372	57.6
210.14928	6.8
218.07219	4.5
219.07994	3.4
233.15434	6.7
234.06738	4.5
249.09158	6.7
261.09137	4.5
263.06891	3.6
276.07507	3.8
277.08356	18.1
309.11215	4.7
311.12759	5.4
321.11081	6.6
337.37814	4.4
339.12250	21.8
370.71545	8.1
371.14911	31.1
371.20953	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	371.2064
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
51.91338	3.9
55.01874	8.7
55.05510	21.6
57.03433	6.0
57.07080	5.0
61.02917	6.2
67.05499	8.0
69.03429	21.9
69.07067	4.8
69.72670	25.8
71.04978	4.8
79.05491	6.7
81.03426	10.8
81.07048	14.9
83.04989	24.8
83.08613	17.1
85.02907	29.9
88.20173	3.7
91.05479	8.0
93.07031	12.3
95.04976	46.7
95.08601	6.6
97.02886	9.2
97.06538	6.5
98.09692	4.9
99.04454	13.4
100.11270	6.5
105.07030	10.9
107.04980	5.9
107.08576	22.9
109.06507	13.0
109.10156	10.9
111.08062	5.9
119.04916	3.7
119.08592	7.7
121.10155	11.0
123.08052	5.1
125.06015	4.8
127.03912	10.8
129.05421	4.4
129.07005	4.9
131.08524	5.3
133.06512	4.4
133.10133	100.0
135.08066	10.2
135.11763	7.3
137.05945	8.6
137.09612	62.7
139.11176	9.1
145.04970	4.2
147.04501	4.7
147.11667	6.8
149.13275	14.1
151.07658	4.4
151.11172	11.9
153.05486	8.8
153.09134	13.6
163.11159	7.2
167.07024	24.4
167.08353	4.6
167.14348	11.7
169.12286	5.0
173.13280	13.1
181.04900	8.0
181.12256	13.6
191.14301	54.0
207.06532	6.5
209.15372	57.6
210.14928	6.8
218.07219	4.5
219.07994	3.4
233.15434	6.7
234.06738	4.5
249.09158	6.7
261.09137	4.5
263.06891	3.6
276.07507	3.8
277.08356	18.1
309.11215	4.7
311.12759	5.4
321.11081	6.6
337.37814	4.4
339.12250	21.8
370.71545	8.1
371.14911	31.1
371.20953	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03950	1.3
55.05508	4.8
57.03428	1.7
57.07068	2.7
59.04980	2.5
61.02923	2.2
61.19619	1.3
67.05492	3.8
69.03416	7.3
69.07061	4.7
70.06616	7.2
71.04984	6.1
71.24928	3.6
72.08155	1.6
73.02898	1.4
79.05481	3.2
81.03427	4.1
81.07043	5.7
83.04969	5.2
83.08624	3.6
85.02909	20.8
85.06538	3.2
87.04475	2.0
91.05848	3.2
92.25366	1.5
93.07046	10.8
95.04974	100.0
95.08607	4.4
96.05289	2.5
97.02905	7.5
97.06522	3.4
97.17969	1.4
98.78134	1.6
98.97585	2.4
99.03831	2.0
99.04459	27.5
99.08044	1.4
100.07607	1.6
100.11246	1.7
101.03503	4.5
103.03958	1.6
105.07032	5.4
107.08587	13.1
109.02892	4.1
109.06499	2.3
109.10151	4.1
111.04438	3.0
112.08781	1.7
113.05983	2.5
116.98586	1.6
119.04944	3.4
119.08598	4.2
121.06503	1.6
121.10144	31.5
121.64168	1.6
123.04440	3.3
127.03935	4.4
127.08709	1.4
128.07098	1.7
129.05501	1.7
133.10155	5.2
135.08057	3.5
135.11739	1.9
137.05983	2.6
140.07010	1.6
145.02687	1.4
145.04991	4.0
145.10170	1.5
146.08949	1.6
147.04424	13.3
149.13263	1.9
149.63066	1.3
151.03909	1.5
151.11223	2.8
153.09116	40.5
158.09322	1.5
163.14835	8.8
167.07104	1.9
167.14293	3.3
169.09799	3.3
173.13235	5.6
177.05432	2.9
181.12236	2.3
182.15392	1.2
191.06995	2.3
191.14316	8.9
193.08583	1.5
209.04446	2.7
209.08020	2.7
209.15382	58.6
210.15785	2.6
251.05760	1.4
285.01047	2.0
309.12219	1.7
327.13110	5.4
337.21143	1.7
340.11502	1.4
354.23788	2.4
371.16629	5.3
371.20508	9.4
371.26358	2.7
371.30478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
51.35786	0.5
53.03946	1.2
54.30549	0.6
55.01865	0.9
55.05509	2.1
56.96552	0.8
57.03439	1.8
58.81052	0.4
61.02922	1.6
63.39271	0.6
67.05503	3.1
69.03437	7.2
69.07060	1.5
69.28953	6.0
71.04994	5.0
73.02921	1.7
74.09159	0.6
79.05486	2.0
81.03411	2.5
81.07071	3.3
83.04964	2.8
83.08607	1.6
85.02904	13.3
85.06557	2.2
85.90034	0.6
91.03945	1.1
91.05467	1.3
93.07047	2.6
95.04973	100.0
95.08612	1.9
96.05311	2.1
97.02894	5.2
97.06533	1.5
98.21590	0.6
98.97611	1.2
99.04457	24.3
99.08110	1.3
100.04783	0.6
100.11256	4.2
101.06020	0.6
105.07039	2.6
107.04977	0.6
107.08603	5.0
109.02898	2.0
109.06535	5.4
109.10152	2.4
111.04443	1.0
111.08093	1.8
115.05450	0.8
119.08577	1.6
121.06539	0.9
121.10162	2.2
123.04457	0.7
123.08057	0.9
123.11744	1.1
125.09691	1.5
127.03928	2.8
131.08571	1.4
133.06610	0.7
133.10141	8.1
135.08022	3.0
135.11746	1.4
137.05972	1.6
137.09651	0.9
139.07552	0.9
143.08566	0.8
145.04997	1.7
145.10184	1.5
147.11678	1.3
149.09581	1.4
149.13303	1.7
151.03993	0.7
151.11209	2.6
153.09113	35.7
154.09543	0.7
163.14806	0.6
165.12820	1.6
167.07059	7.8
173.13266	6.4
177.00746	0.7
177.05544	0.8
181.04970	1.4
182.15474	1.3
187.07558	0.7
189.09154	0.6
191.07150	0.6
191.14323	14.8
191.16051	0.9
193.08644	1.0
193.15977	1.0
209.08130	3.8
209.15366	44.1
210.15508	1.0
215.02074	0.7
217.08615	0.7
232.08862	0.6
249.09200	0.6
260.08429	0.8
263.07196	0.7
276.72726	1.9
280.64514	1.4
293.11707	0.7
309.11295	0.7
311.13101	0.5
335.31091	0.6
339.12347	1.1
340.26108	0.9
343.30768	0.6
347.21234	0.6
353.14349	0.9
353.19229	0.9
362.27390	2.9
371.15207	4.6
371.20828	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01871	1.3
55.05501	1.1
56.96574	0.7
57.03436	0.9
59.04994	1.0
61.02925	1.7
65.03940	1.0
67.05499	2.4
69.03433	4.6
69.07068	0.5
69.68514	2.8
70.06582	2.0
71.04992	4.8
72.08141	0.4
73.02938	0.8
73.04756	0.7
79.05489	1.0
81.03426	3.2
81.07047	1.7
83.04986	3.0
83.71817	0.5
84.08154	0.6
85.02906	12.1
85.06542	1.9
85.07672	0.5
86.09745	0.7
87.04491	0.8
91.03953	0.6
91.05858	2.7
93.07031	2.4
95.04972	100.0
95.08601	1.2
96.05304	1.8
97.02895	5.2
97.06562	0.5
98.97591	1.4
99.04460	23.8
99.08064	0.5
100.04799	0.5
101.06034	0.8
103.03988	0.4
105.07033	1.4
107.04977	1.2
107.08609	1.7
109.02901	2.1
109.06528	1.5
109.10162	1.8
110.07249	0.5
111.04432	1.0
111.08092	1.4
114.10308	0.6
116.07088	0.5
116.98615	0.8
119.08586	1.2
121.02881	0.5
121.06557	0.5
121.10151	1.6
121.74343	0.4
123.04440	4.1
123.08072	0.5
125.04330	0.4
125.09679	0.6
127.03915	3.8
129.05507	1.1
131.08568	0.8
132.04460	4.8
133.04869	0.7
133.10132	5.9
134.99629	0.4
135.04460	0.8
135.08057	1.0
137.02368	0.6
137.05988	0.8
137.09604	0.8
139.03934	0.5
139.11185	1.6
143.03407	0.4
145.02870	0.6
145.04973	2.0
147.04414	1.2
147.06514	1.0
147.11682	0.5
149.06116	0.4
151.03914	0.6
151.11166	1.5
153.01968	0.5
153.05534	2.5
153.09109	32.7
163.03899	3.2
163.14816	0.6
167.07085	1.3
167.14343	0.5
170.09645	2.3
173.13260	3.9
175.11978	0.7
177.05521	0.5
179.03297	0.8
179.06970	0.4
180.06651	0.5
181.04950	1.5
183.06821	0.9
191.03830	0.4
191.14349	2.9
193.15901	0.6
195.06560	0.7
198.09174	5.2
203.03288	0.8
208.13310	0.4
209.04445	5.1
209.15367	34.7
210.11266	2.3
210.15686	1.6
217.08662	0.6
232.06068	0.5
237.02979	0.6
239.08148	1.3
268.97897	0.6
285.00989	1.6
326.13962	0.7
353.08768	0.5
355.06787	1.0
371.12848	0.8
371.16827	0.9
371.20782	0.6
372.20157	0.5
378.03857	0.5
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
53.03933	2.6
55.05505	3.9
57.03440	1.9
66.62090	1.3
67.05477	3.3
69.03432	7.5
69.07082	3.2
69.94553	7.7
71.04972	1.3
72.76051	1.3
77.72451	1.4
79.05483	5.2
81.03407	4.5
81.07059	8.2
83.04971	2.8
83.08600	1.8
84.83646	1.3
85.02911	7.5
87.50176	1.6
91.05481	5.8
93.07040	3.5
95.04965	2.8
95.08599	3.6
97.02892	2.0
100.11230	2.4
104.65140	1.5
105.07010	7.4
107.04948	4.5
107.08582	18.2
109.02883	2.8
109.06556	10.6
109.10138	4.3
111.04438	2.2
117.06973	2.5
119.08614	2.7
121.06519	2.5
121.10145	10.4
122.07269	2.2
123.04410	1.8
123.08094	2.1
127.03916	2.9
129.05431	1.3
131.08554	4.2
133.06470	1.7
133.10132	100.0
134.10468	3.3
135.08057	10.5
135.11671	2.4
137.05960	2.2
137.09619	50.1
138.10034	1.6
139.03923	2.0
147.04401	5.2
147.11667	2.7
149.09604	2.9
149.13260	11.6
151.03958	2.3
151.11177	5.1
163.11148	1.9
163.14783	2.0
165.12802	2.9
167.07053	52.6
168.07413	4.0
173.13231	10.1
177.05461	5.9
181.04964	1.9
191.14307	47.4
192.14603	1.7
209.08112	13.3
209.15370	17.7
339.12222	1.5
371.14984	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	371.1492
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
53.56429	0.7
55.01913	1.6
55.05552	1.2
57.03468	0.8
64.27291	0.7
65.04000	0.8
67.05563	1.8
69.03429	3.7
69.07124	2.6
70.06625	0.6
71.05045	1.1
71.57410	1.2
72.69450	0.6
77.40186	0.6
78.04786	0.9
79.05503	3.4
81.03496	2.0
81.07123	3.0
83.05054	0.9
85.02914	4.1
85.06554	1.1
88.38902	0.7
91.05569	3.7
93.07038	3.8
95.05059	2.0
95.08685	3.0
97.02948	1.8
97.06593	1.9
98.97661	0.9
99.04504	1.5
101.06045	0.8
103.05569	1.0
105.07025	5.7
107.04965	3.9
107.08598	4.9
109.02909	1.5
109.06591	1.1
109.10230	1.1
111.04515	0.9
115.05521	1.7
117.07053	1.5
119.05002	1.7
119.08601	4.8
121.06493	3.4
121.10242	2.7
122.03747	0.9
123.04517	2.3
123.08121	0.9
124.05244	0.9
125.06042	0.8
127.03997	2.2
128.06303	1.0
129.05525	0.9
129.07072	1.0
131.05006	3.0
131.08563	11.2
132.05789	0.8
133.06575	2.3
133.10219	3.0
135.04500	1.1
135.08067	3.2
135.11765	1.6
137.05937	4.6
139.07651	1.9
145.06467	1.7
145.10213	2.4
147.04453	1.7
147.06573	1.1
147.11707	5.1
149.06009	1.6
149.09677	1.8
149.13348	1.8
151.04015	1.6
151.07642	1.0
152.04730	1.0
156.05798	1.1
160.05318	0.9
161.05945	3.2
161.09752	0.8
163.07501	4.8
163.11250	1.8
163.14891	1.4
165.05730	0.8
165.07048	1.6
166.07861	0.7
167.07040	41.2
173.06032	1.7
173.13266	19.2
174.06833	1.2
175.04086	1.2
175.07553	13.0
177.05574	1.0
178.07860	2.2
179.08702	1.2
181.05029	2.1
181.06601	1.9
181.08592	0.9
187.07585	1.8
189.07079	1.4
190.07898	0.9
191.07030	16.1
191.08597	1.7
191.10677	1.1
191.14308	24.3
193.06784	1.4
193.08609	10.7
193.10271	1.0
194.07271	3.1
195.08122	1.4
196.08952	1.1
197.06073	0.7
203.08682	0.9
205.06560	1.8
205.08701	7.2
205.09998	0.7
206.07347	3.0
207.08047	3.7
208.08856	1.4
209.06215	1.6
209.08168	6.4
209.09868	1.2
209.13728	0.8
209.15353	3.3
217.08597	11.3
218.07224	1.5
219.08115	2.1
219.10184	0.8
221.06081	2.6
221.09625	1.6
222.06744	4.8
223.07420	3.2
224.08218	3.2
225.09171	1.2
227.12808	1.1
231.08015	0.9
232.08922	1.9
233.06209	1.1
233.09653	3.0
234.06834	3.5
234.10432	0.8
235.07532	6.2
236.08266	3.8
237.05493	2.3
237.09138	3.5
240.07849	1.3
243.08148	0.8
247.07567	1.1
248.08401	1.6
249.05478	1.8
249.09102	12.4
250.06116	3.5
250.09872	3.7
251.07018	4.7
251.10774	0.9
252.07816	12.1
253.08571	2.2
260.08340	1.4
261.09158	2.7
263.07104	3.8
263.09946	0.7
264.07767	6.2
265.05118	2.4
265.08603	19.0
265.12247	0.9
266.09360	12.4
267.10156	2.3
275.10666	1.9
277.08591	5.9
278.06104	1.4
278.09366	3.7
279.06622	2.2
279.10013	1.5
280.07339	11.9
280.10645	1.4
281.08105	7.3
281.11469	1.2
282.08774	0.9
283.09784	1.4
283.13370	1.4
285.07651	1.0
292.07358	1.0
293.08102	3.6
293.11746	11.6
293.14755	1.0
294.08878	1.7
294.12003	0.9
295.09674	4.7
296.10410	10.9
297.11032	1.2
306.08905	0.9
307.09601	1.6
309.11203	4.0
310.12042	0.9
311.09299	0.7
311.12750	8.4
313.10678	1.5
321.11182	7.3
324.10120	1.2
325.10672	1.6
327.12213	1.7
339.12271	100.0
340.12808	8.8
341.13824	2.2
353.13913	4.4
371.14877	64.6
372.15460	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
51.63083	1.4
52.87757	1.5
53.03949	2.4
55.01855	2.3
55.05492	2.9
56.96547	1.9
57.03425	1.7
67.05499	5.2
69.03426	6.0
69.07057	2.6
69.55733	12.1
70.06577	1.3
79.05499	7.1
81.03403	5.9
81.07045	9.0
83.04974	1.7
84.08173	1.4
85.02898	6.4
91.05428	8.8
91.69299	1.4
93.07028	6.9
95.04948	4.6
95.08604	2.7
97.02904	4.3
97.06486	2.6
99.04469	1.9
100.06864	1.3
101.05996	1.5
105.07018	5.7
107.04947	6.8
107.08611	7.5
109.02873	2.7
109.06490	3.3
109.10159	2.9
111.04409	3.4
119.04976	2.9
119.08585	3.8
119.23913	1.3
121.06475	3.5
121.10165	7.1
121.80730	1.3
123.04401	2.9
123.11700	8.0
127.03893	5.1
129.06976	1.7
131.04887	2.9
131.08568	4.6
133.10123	4.7
135.08034	2.3
135.11688	2.4
137.05975	19.7
139.03844	1.8
139.07503	2.8
141.06956	2.1
144.05766	2.1
145.02852	2.2
145.06506	2.1
145.10110	2.4
147.06537	2.9
149.05991	2.5
149.09654	2.4
151.03893	3.0
151.07556	1.6
151.11058	1.7
156.05682	4.1
159.08014	2.5
161.05966	2.3
163.07553	2.6
163.11168	4.0
163.14859	2.5
165.06967	2.9
167.07043	33.9
173.13216	4.0
175.03857	1.7
175.07533	4.8
177.05478	5.1
178.07643	2.7
178.99957	1.5
181.04982	2.0
181.06473	2.5
187.07559	4.1
190.07806	1.7
191.07022	3.5
191.08597	1.4
191.10637	2.1
191.14314	17.1
192.16808	1.4
193.08568	2.6
194.07240	3.5
195.08121	2.3
202.06351	2.3
205.06578	1.8
206.07198	1.8
207.08049	3.5
209.04309	1.6
209.08061	5.3
209.15338	3.9
211.07532	1.7
215.06952	1.9
215.08794	2.2
217.08569	15.4
218.07280	4.0
219.08173	2.5
219.10156	3.2
221.06027	1.9
221.09619	4.1
222.06718	2.8
223.07518	4.3
224.08308	3.3
231.07956	2.5
232.08842	3.9
233.09688	7.2
234.06831	7.5
235.07574	8.4
236.08289	3.5
237.05498	2.3
237.09070	3.4
239.07008	5.4
241.08699	2.5
246.06763	1.9
247.07423	2.6
247.09671	3.8
248.08205	1.8
249.09122	12.7
250.06151	4.0
250.09825	2.9
251.07059	4.1
252.07875	11.7
253.08607	3.1
257.08008	2.4
260.08255	1.9
261.09186	6.7
263.06943	5.3
263.10580	1.6
264.07904	3.9
265.08560	15.9
265.11322	2.1
266.09348	11.5
269.08127	2.2
271.06030	2.3
275.10849	1.7
277.08578	9.6
278.09363	5.4
280.07312	12.2
281.08026	6.2
281.11414	1.7
285.07663	9.4
293.08282	3.8
293.11615	17.6
294.08865	2.3
295.09573	5.2
296.10413	10.3
300.09918	15.4
301.10617	3.3
307.09451	1.9
309.11108	6.8
310.08420	1.8
311.09439	1.9
311.12753	10.2
313.10489	2.6
321.11172	11.9
323.08997	2.2
324.10342	1.8
325.10776	3.2
326.11398	4.1
339.12286	100.0
340.12650	10.4
341.13779	3.6
351.09061	1.8
353.13791	10.2
356.12469	1.7
371.07407	2.4
371.14874	70.8
372.15210	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	371.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01858	2.9
57.03437	9.6
60.04512	4.4
61.02921	9.3
69.03432	25.3
69.94795	10.6
70.06596	3.1
71.04991	3.5
73.02912	6.9
81.03422	8.0
85.02904	71.5
87.04498	4.9
91.03957	4.4
91.05862	1.8
91.08399	2.0
94.06564	3.1
95.04951	11.3
97.02906	25.2
99.04455	5.4
104.05000	3.4
109.02888	7.3
110.03635	3.1
110.06093	2.1
111.04434	4.4
118.06522	5.2
119.06085	2.3
120.04477	5.6
122.06059	2.8
123.04429	100.0
123.25820	1.8
124.04743	1.9
126.05513	8.4
127.03928	18.5
132.03455	3.9
132.04456	78.1
135.06812	2.7
135.09152	1.8
136.05301	2.1
136.07585	36.0
137.05988	7.1
137.07011	2.1
145.04991	17.7
145.07593	24.5
146.06013	17.8
146.07901	2.3
147.04387	2.3
148.03920	14.4
149.07028	3.5
150.05527	11.8
153.07915	2.3
154.08633	3.3
156.04462	2.9
158.04721	2.2
163.06078	2.9
163.07478	1.9
163.08694	8.2
164.07082	23.3
165.06570	5.1
173.07120	27.9
174.05495	8.9
181.09654	2.0
182.08154	2.2
191.06403	3.8
191.08157	75.8
192.06552	7.6
192.08307	2.5
209.09215	86.3
210.09538	2.0
371.14496	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	371.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44334	0.4
53.03944	0.7
54.56891	0.4
55.01854	0.9
56.96564	18.6
57.03415	1.6
60.04502	1.2
60.05639	0.8
61.02921	2.0
63.89584	0.4
65.03931	0.8
68.96506	0.4
69.03430	6.8
70.06591	3.0
70.96973	1.0
71.04973	0.9
71.95263	1.0
73.02897	1.4
73.04743	1.1
81.03412	2.8
83.04980	0.5
84.04502	0.6
84.08114	0.5
84.96037	6.4
85.02903	16.5
87.04446	1.4
91.03947	0.8
91.05838	5.3
94.06551	1.1
95.04974	3.3
97.02892	5.4
98.97585	39.1
99.04442	1.1
102.97048	1.2
104.04972	1.2
107.04958	0.6
108.08125	0.4
109.02883	2.4
110.05983	0.7
110.07207	0.7
110.97562	9.5
111.04468	3.0
112.99124	1.3
115.03905	0.5
116.07024	0.7
116.98622	33.8
118.06537	0.9
119.01879	0.6
119.04972	0.9
120.04443	0.7
122.06001	1.1
123.04433	20.5
124.99133	0.5
126.05507	1.0
127.03924	4.6
128.98607	24.9
129.05432	0.5
131.00180	2.8
131.59032	0.4
132.04456	16.8
133.02817	0.6
133.04802	0.7
134.06070	0.4
134.99660	20.6
136.06174	1.3
136.07585	6.3
137.02338	8.1
137.03310	0.3
137.05975	3.2
138.05453	0.4
139.03896	3.6
140.00201	1.5
140.98616	0.8
143.00171	4.4
144.98061	0.9
145.04965	3.7
145.07597	3.2
146.06032	3.2
146.99651	28.1
147.04445	2.0
147.06490	0.9
148.03934	10.2
149.01233	2.5
149.04364	0.5
149.07118	0.6
150.05516	6.9
151.03929	1.0
151.70700	0.4
152.00224	0.8
152.07031	0.6
152.98619	4.4
153.00706	2.8
153.10161	0.6
156.07709	0.6
158.01231	1.4
158.04716	0.6
158.99661	4.0
161.01228	8.3
161.02873	1.2
162.99135	1.3
163.06003	0.6
163.08688	2.0
164.07053	3.1
165.00728	4.7
168.06573	1.0
170.01282	1.0
170.99654	10.9
173.07094	5.4
174.05502	1.6
175.11902	1.2
177.00708	7.1
179.02237	1.6
179.03519	0.8
179.06934	0.5
182.08102	0.6
182.99594	0.5
185.02847	0.8
188.09030	0.6
189.00719	9.0
191.08159	11.0
192.06564	1.3
194.01237	0.6
195.01668	0.8
196.06065	3.9
201.00642	3.8
201.02011	0.4
203.02301	0.6
203.04019	0.9
207.01782	1.3
209.06839	1.1
209.09184	15.2
209.11046	0.9
212.02280	0.8
213.00679	0.5
215.02223	0.6
219.01761	34.5
220.02069	0.6
222.00890	0.5
226.98680	0.4
227.02303	2.2
237.02821	100.0
238.03162	1.0
238.41428	0.4
239.02283	0.6
242.03371	3.4
245.04971	1.0
252.99919	0.5
255.03876	11.5
257.03406	1.3
260.04410	7.1
261.02890	0.6
263.02228	2.5
268.97836	1.7
269.03345	1.1
270.02820	0.5
273.05478	0.5
278.05533	0.6
279.03854	1.0
281.03308	2.1
285.00925	2.8
298.32095	0.5
303.01956	0.8
311.04129	2.7
329.05414	35.1
330.05746	1.0
347.06485	23.5
347.24323	0.4
347.29886	0.4
348.06912	0.9
352.07031	2.7
353.13815	0.6
354.55350	0.5
355.06958	3.2
370.08026	1.8
371.06516	20.8
371.14368	5.5
371.19208	0.9
372.06854	0.6
389.07559	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05511	1.0
57.03444	2.5
57.07065	0.9
61.02921	0.9
67.05489	1.7
69.03422	2.7
69.07056	1.1
70.06592	1.0
71.00305	1.7
71.04994	19.2
79.05479	1.0
81.03414	1.4
81.07062	1.5
83.04961	1.5
83.08617	0.8
85.02902	8.0
85.06532	1.2
91.03958	0.7
91.05436	0.6
93.07065	2.5
95.04965	25.2
95.08593	1.0
97.02892	2.6
97.62158	0.6
98.97559	0.5
98.98538	0.7
99.04462	5.0
105.07041	1.4
107.08582	3.5
109.02863	1.6
109.06544	0.8
109.10168	1.1
113.06007	18.0
116.98576	0.7
119.08553	1.3
119.43121	0.5
121.06477	0.7
121.10142	6.2
123.04414	1.0
127.03930	1.7
127.07558	1.0
131.07042	33.5
133.10123	1.1
135.11646	0.9
137.05939	0.8
145.04951	2.0
145.08598	100.0
146.08911	2.7
147.04404	0.9
147.11639	0.5
151.11182	1.0
153.09111	7.2
163.14821	1.3
173.08104	15.5
177.00752	0.7
179.03348	0.6
180.08659	1.5
191.09152	19.0
191.14314	1.1
208.09692	0.7
208.11786	1.2
209.04337	0.7
209.15382	9.2
285.01123	0.5
333.12378	1.0
370.09222	1.7
370.22452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01859	1.9
55.05263	1.0
55.05517	15.4
56.99590	0.6
57.03444	10.7
57.07082	7.8
59.85279	0.6
63.12823	0.6
65.03934	1.0
67.05510	27.0
69.03429	3.1
69.06718	1.0
69.07076	15.4
69.26262	8.1
70.06608	0.8
71.05005	6.0
71.08626	2.9
73.06547	0.6
79.05498	13.6
81.03421	6.6
81.07066	30.4
83.04989	6.2
83.08624	7.3
85.02901	4.4
85.06550	4.0
85.10187	18.5
85.10609	0.4
85.10711	0.8
91.05487	14.5
93.07054	14.8
95.04979	10.9
95.08616	15.3
97.06563	4.2
97.10183	4.2
98.20743	1.0
99.04434	1.3
99.08092	2.3
103.05466	0.7
105.07040	15.1
107.04972	3.4
107.08605	15.1
109.02882	0.9
109.06529	4.5
109.10165	24.9
111.08079	2.4
113.06024	0.8
113.09649	19.4
117.06992	1.6
119.04940	2.6
119.08584	6.0
121.06515	1.3
121.10143	7.5
123.08067	3.5
123.11718	4.5
125.09612	2.8
127.07586	1.0
129.06999	2.3
131.08595	4.0
133.06493	0.7
133.10138	13.7
134.10561	0.6
135.08058	1.8
135.11719	2.8
137.06009	1.4
137.09612	1.7
141.12767	1.6
143.08594	1.3
145.10138	1.5
147.04395	2.2
147.08020	0.9
147.11679	4.7
149.05963	0.7
149.09634	4.5
149.13274	2.1
151.07610	0.7
151.11189	5.3
153.12744	1.3
155.10672	0.7
157.10147	1.4
159.11668	1.1
161.09604	1.6
161.13234	3.6
163.11223	2.5
165.12776	21.8
166.07877	0.7
166.13121	1.0
167.07072	1.1
169.12262	4.9
171.11720	2.4
173.11807	1.0
175.03909	2.5
175.11238	1.4
175.14857	0.9
177.12804	1.0
179.14365	2.5
181.12259	1.3
185.13318	1.2
189.11185	1.6
189.12791	0.8
190.95393	1.0
193.12279	0.8
193.15773	0.8
199.07893	0.7
207.06511	5.1
207.13837	1.2
208.96478	0.8
231.21234	1.2
232.96431	0.9
241.19530	0.8
249.22205	1.9
250.97665	1.2
259.20532	2.8
277.21646	51.9
278.22128	1.7
295.22705	100.0
296.23148	2.8
307.09705	0.7
351.10794	1.1
351.25174	2.5
369.13242	1.9
369.26550	34.1
370.26776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03958	4.5
55.01872	6.6
55.05513	25.8
56.96581	2.6
57.03440	23.8
57.07076	37.1
63.01331	1.6
65.03938	3.0
67.05508	50.7
69.03440	3.2
69.07073	21.2
69.71687	3.7
69.72098	10.3
71.04997	5.5
71.08644	3.1
73.02925	1.8
79.05495	35.5
81.03429	7.4
81.06582	3.3
81.07062	57.9
82.07413	2.9
83.04982	11.2
83.08619	12.8
85.02934	3.0
85.06552	2.9
85.10186	74.2
86.03959	1.5
87.85013	1.6
91.05480	35.3
91.05990	2.2
93.07046	31.7
95.02315	1.6
95.04981	19.9
95.08607	46.3
97.06501	8.5
97.10194	5.7
99.08107	4.5
105.07041	29.2
107.04958	16.0
107.05512	1.5
107.08600	23.2
109.06558	6.7
109.10170	18.3
109.64326	1.6
111.08089	3.6
113.09649	100.0
114.10263	2.2
117.07042	4.4
119.08585	19.5
121.10136	12.3
123.08070	21.6
123.11770	4.5
125.09665	4.3
127.03850	1.8
128.06294	2.1
129.05518	2.4
129.07054	6.6
130.79118	1.9
131.08588	15.5
133.06503	1.9
133.10127	17.6
135.08067	1.8
135.11665	8.2
137.09674	5.4
141.12837	2.2
143.08611	3.8
145.10182	7.1
147.08156	2.7
147.11685	20.7
149.09619	28.9
149.10681	1.5
149.13322	4.5
151.11237	7.3
155.10744	5.1
157.10162	4.3
159.11716	1.7
161.09666	3.2
161.13332	6.2
163.11174	12.8
165.12767	85.9
166.13324	2.0
171.11789	4.3
173.11786	5.2
175.11272	6.5
175.14903	3.4
179.14391	6.3
181.12265	1.8
185.13284	2.7
187.13451	4.6
189.12833	3.1
193.15994	4.4
197.11826	3.0
205.02002	2.0
207.13828	3.4
208.13438	2.0
209.13737	2.2
231.21127	3.9
241.19635	4.0
249.22250	3.5
250.97549	1.8
259.20557	13.5
265.85205	1.6
277.21643	64.0
295.22760	17.8
351.18887	2.9
351.25375	41.2
351.29553	2.8
352.25726	2.4
367.17987	3.5
369.15747	2.9
369.26523	61.8
370.26788	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	369.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.4
54.14133	6.3
55.01870	12.6
55.05515	64.4
57.03436	33.9
57.07064	12.3
60.05620	6.4
61.56527	8.1
65.22746	7.2
67.05510	90.8
69.03441	7.4
69.07070	31.1
70.06583	20.5
70.56211	14.9
70.56577	14.3
71.08629	46.7
72.15295	7.3
79.05504	49.1
81.03429	11.4
81.07065	100.0
83.04988	17.5
83.08628	46.8
85.06542	8.4
85.10207	6.9
91.05491	57.6
93.07052	51.9
95.04960	19.2
95.08599	43.8
97.06538	15.3
97.10197	12.3
99.08083	33.2
99.42451	7.2
105.07030	39.9
107.08581	45.5
109.10161	31.5
111.08084	18.5
113.09654	11.9
117.07063	9.1
119.08568	23.5
121.10114	25.5
121.37009	6.2
123.08079	8.5
123.11729	13.7
131.08571	15.4
133.10170	29.0
135.11711	14.4
139.11252	12.2
143.08606	8.0
143.71175	6.8
145.10123	11.8
147.11688	37.9
149.13269	25.0
151.11209	11.0
158.30927	7.3
159.11644	11.8
161.13251	11.2
163.11235	12.6
165.12773	27.1
173.11688	11.7
175.11906	11.4
179.14304	23.1
190.95357	13.1
207.06537	15.0
208.96446	14.8
232.96536	26.5
247.08502	11.1
250.97539	18.7
259.20572	14.2
277.21652	86.0
295.22784	16.0
349.17029	13.1
351.25354	26.6
369.26563	92.9
378.46930	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.8
55.05519	35.3
56.96563	4.8
57.03448	19.6
57.07074	15.3
65.03953	2.5
67.05173	4.2
67.05506	60.7
69.03413	3.5
69.07072	32.2
69.45184	22.4
71.04987	10.5
71.08624	12.2
79.05500	39.8
81.03445	12.4
81.07062	67.5
82.07376	3.2
83.04974	12.2
83.08627	15.8
85.02901	7.2
85.06529	6.2
85.10178	24.1
91.05476	31.2
93.07051	39.9
95.04977	20.1
95.08619	34.8
97.06525	8.6
97.10162	10.3
99.08100	9.3
103.05541	3.1
105.07048	28.0
107.04950	6.1
107.08598	33.3
109.06523	9.5
109.10165	38.0
111.08112	6.4
113.09650	26.1
113.17736	2.6
117.06959	4.5
119.05020	3.4
119.08583	16.5
121.10149	16.4
123.08093	6.6
123.11726	9.1
125.09628	8.3
129.06926	3.8
131.08580	9.1
133.01950	2.6
133.10138	21.2
135.08032	4.2
135.11707	7.6
137.09660	3.6
145.10170	5.2
145.19981	2.8
147.11685	8.9
149.09615	8.6
149.13318	6.3
150.86737	2.6
151.11203	19.6
157.10086	3.2
161.13266	7.1
163.11191	7.0
165.12750	29.7
169.12221	5.6
173.11794	7.0
175.03928	3.1
175.14836	5.6
177.05453	7.1
178.06253	4.8
179.14310	7.3
189.11220	5.6
190.95430	4.8
195.13869	5.3
207.06480	6.3
232.96472	5.2
233.11694	8.8
250.97548	6.7
259.20551	4.8
269.17572	9.7
277.21637	70.2
278.21783	2.9
295.22705	100.0
296.22980	6.1
300.06436	12.6
300.09335	2.8
315.08585	21.8
345.64185	2.8
349.16864	5.9
351.25418	16.6
367.17923	7.3
369.12921	3.3
369.20792	2.4
369.21613	3.1
369.26462	40.7
370.26239	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	369.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01857	2.1
55.05515	1.3
56.33926	1.2
56.96574	2.7
57.03429	1.6
60.04530	3.8
61.02924	3.8
65.03943	1.6
67.05497	1.5
68.05029	1.2
68.56194	1.1
69.03432	15.4
69.94386	7.1
70.06618	2.6
71.04996	2.5
73.02917	4.0
77.49935	1.3
79.05520	1.3
79.61187	1.2
81.03410	7.4
82.09700	1.3
83.04984	2.6
85.02911	33.9
85.80943	1.3
86.06080	1.6
87.04459	1.8
88.16730	1.2
91.03967	1.5
93.03403	1.3
94.06539	1.7
95.04974	4.7
97.02896	13.7
98.06085	2.7
98.20805	1.7
99.04446	1.7
102.33961	1.5
106.06532	1.9
107.04977	8.6
109.02899	4.5
110.06045	2.6
110.07166	1.9
111.04446	8.9
113.02386	1.7
116.05018	2.1
116.98621	2.6
117.03451	1.5
118.06517	1.4
119.01944	1.4
120.04448	2.5
122.06065	1.5
123.04478	6.2
123.49574	1.3
125.02365	1.3
126.05531	3.5
127.03942	8.0
129.05487	1.8
132.04472	14.8
133.02872	1.7
134.03618	1.4
134.06035	3.7
135.04448	2.9
136.03966	1.5
137.02373	2.6
137.05992	1.8
138.05504	1.6
139.03903	8.9
143.01918	1.8
143.03391	2.9
143.06055	3.6
144.04454	2.0
144.06599	2.1
145.04991	6.9
146.06024	2.8
148.03940	39.8
148.07516	1.3
149.02403	1.9
149.04823	1.5
149.05959	1.7
150.03130	2.9
150.80348	1.3
151.06305	13.0
152.07098	18.0
152.34735	1.2
155.62575	1.2
161.02972	4.1
161.07103	4.7
162.05536	22.0
163.03926	3.5
164.06993	1.9
167.03308	2.2
171.05516	6.5
172.03914	7.6
173.07198	2.1
174.04297	3.2
177.01913	2.6
177.05498	3.2
178.05002	1.3
179.03461	3.4
180.06601	7.9
186.07637	4.0
187.06085	1.8
189.06615	100.0
190.04982	15.7
190.06822	1.9
191.08195	2.0
192.06578	1.9
195.02980	2.5
203.04054	2.0
204.08707	10.4
207.05196	3.8
207.07666	72.0
208.06102	2.2
208.07944	2.5
249.06047	1.7
261.06097	1.3
369.13205	23.5
369.17618	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	369.1185
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
50.73645	0.6
54.87449	0.6
55.05499	0.9
58.68548	0.8
67.05496	1.3
69.03421	2.1
69.07046	0.8
70.06591	2.7
71.05006	1.1
71.41414	1.0
72.08147	0.8
81.03404	1.6
81.07056	1.5
84.08170	0.7
85.02907	2.3
86.09673	0.8
87.04448	0.9
89.03912	5.9
91.05517	1.6
93.07035	1.1
95.04976	1.7
95.08623	1.0
97.02895	2.0
97.06520	0.9
98.97579	1.4
99.04457	0.7
105.07050	0.8
107.04930	0.7
107.08605	1.2
109.02924	1.4
117.03381	19.2
117.76755	0.6
119.04952	0.8
123.04436	1.1
127.03934	1.6
131.04987	1.0
132.04430	0.9
133.06490	0.7
133.10141	0.7
134.03662	1.4
135.04411	2.3
137.05968	1.2
145.02855	50.5
145.08592	1.3
147.04411	1.9
149.05992	7.6
151.03862	0.8
153.12796	0.8
161.05972	1.1
163.03905	1.3
175.03879	1.2
177.05481	100.0
178.05806	2.7
179.03409	3.2
186.05443	1.3
189.12773	1.2
207.06555	2.6
207.10193	0.7
207.13838	1.2
208.96373	0.8
228.04555	0.7
234.66226	0.7
237.02896	0.9
279.13513	0.8
368.64932	0.7
369.11084	1.5
370.09219	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.03939	1.9
53.95755	0.5
55.01871	1.3
55.05503	1.1
57.03424	1.0
65.03928	1.6
67.05498	1.5
69.03423	6.7
69.07062	0.9
69.81020	2.9
70.06567	1.8
71.04988	1.8
79.05492	1.4
81.03420	13.8
81.07053	1.9
85.02916	6.9
89.03907	0.9
91.05482	25.2
92.05836	0.8
93.07041	1.8
95.04980	1.3
95.08604	1.5
97.02880	2.1
97.06483	0.6
98.20714	0.7
99.04456	2.7
103.05461	0.8
105.03403	0.9
105.07037	3.9
107.04939	1.4
107.08588	1.2
109.02885	5.9
109.10159	1.1
118.04152	0.7
119.04946	33.7
119.08611	2.0
121.10091	1.3
127.03905	2.2
131.08607	0.7
132.02048	1.9
133.06531	0.8
133.10107	1.9
135.04422	0.6
135.11703	0.6
136.05238	0.8
137.05972	1.8
143.08583	0.6
145.02808	1.7
145.06422	0.6
145.10094	0.7
147.04417	30.6
149.02328	1.1
151.03912	0.7
157.03961	2.5
159.08070	0.8
161.05975	1.0
161.09621	2.3
163.03868	0.6
163.11176	1.3
164.04733	1.2
165.14125	0.6
165.15460	0.6
167.06989	0.7
175.03915	51.0
176.04367	2.1
177.05502	1.9
179.07082	3.5
179.10661	1.4
190.95473	1.0
191.14389	0.5
192.04173	2.9
207.06535	100.0
208.06874	3.6
213.02190	0.5
225.07596	1.8
247.07559	0.7
249.09140	0.7
250.97426	0.8
254.74973	0.6
279.06406	0.5
280.07227	0.6
281.07965	0.5
293.08258	0.6
315.08560	1.1
320.09933	0.6
333.13348	0.6
337.10703	1.3
339.12448	0.7
351.10712	16.1
352.11218	0.9
369.12088	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	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02360	1.1
51.75391	0.6
53.03949	3.1
53.24078	0.5
55.05505	1.1
56.96552	1.0
57.03426	2.1
61.02911	0.9
62.69806	0.5
65.03932	1.6
67.05495	1.5
69.03072	0.8
69.03428	9.1
69.07063	1.4
69.87746	2.7
70.06602	1.0
71.04977	2.4
73.02898	1.5
77.03911	0.8
77.83253	0.6
79.05486	1.3
81.03421	22.1
81.07040	2.6
83.04981	0.6
83.08627	0.6
85.02421	0.9
85.02903	9.5
89.03939	0.9
91.05484	26.5
93.07039	1.9
95.04956	1.6
95.08598	2.5
97.02881	2.8
98.97591	0.9
99.04457	3.4
103.05455	0.8
105.07043	2.8
107.04951	1.2
107.08564	1.6
109.02879	7.6
109.06477	0.9
109.10132	2.2
111.04446	0.8
116.98633	0.7
119.04949	31.6
119.08579	2.1
120.05316	0.8
121.02832	1.3
121.10135	1.5
121.12592	0.5
123.08082	0.6
123.11731	0.9
127.03921	3.3
129.03342	0.6
129.07051	1.2
131.04855	0.9
131.08562	0.9
132.02072	1.6
133.02817	0.9
133.06480	0.9
133.10115	1.8
134.99634	0.7
135.04353	0.9
135.11723	0.9
137.05960	2.1
145.02820	1.1
145.04947	0.8
145.10155	0.7
147.04414	32.4
147.11674	0.6
148.04822	1.0
149.02327	0.9
151.11220	0.7
157.03976	2.9
161.05969	0.7
161.09692	1.3
164.04674	1.0
167.07050	1.1
175.03918	52.4
176.04192	1.2
177.05414	0.9
179.07014	2.2
189.09050	0.8
189.12737	0.8
190.95351	0.8
192.04158	3.2
207.06532	100.0
208.06882	1.9
225.07568	2.3
231.10223	0.8
269.08240	0.7
290.66904	0.6
305.77832	0.6
327.14804	0.7
337.10760	1.1
351.10812	30.4
352.11108	1.3
369.11871	5.4
369.20181	1.5
369.24448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.01865	1.4
55.05491	0.6
57.03433	1.1
60.66503	0.6
63.02689	0.6
64.92621	0.5
65.03936	1.0
67.05509	2.6
69.03072	0.7
69.03429	8.4
69.37990	0.5
70.06575	0.5
71.04974	1.8
71.60356	0.7
73.02901	1.6
77.43548	0.5
79.05473	1.4
81.03419	22.8
81.07055	1.7
82.45046	0.6
83.04942	0.5
85.02908	8.3
89.03932	0.5
89.06027	1.5
91.05480	27.2
93.07036	2.0
94.06558	1.8
95.01342	0.5
95.04966	1.7
95.08606	1.2
97.02882	2.7
97.10170	1.3
99.04478	2.9
101.02403	0.6
102.05498	0.5
103.05470	1.1
103.70754	0.5
103.98996	0.6
105.03438	0.6
105.07038	1.8
107.04967	0.7
107.08588	1.6
108.08111	1.0
109.02872	7.1
109.10139	1.4
114.05480	0.5
117.06999	0.6
118.04176	0.7
119.04943	36.0
119.08572	1.1
121.02880	0.7
121.06532	0.6
121.10186	0.6
123.04452	1.1
127.03936	2.6
131.04921	1.0
131.08539	0.5
132.02083	1.6
133.06488	0.7
133.08603	0.9
133.10110	1.8
135.04414	1.4
135.11710	0.7
137.05960	2.0
138.05473	0.7
139.03970	1.0
139.05016	3.0
145.02853	0.8
147.04413	31.5
147.08038	0.6
149.02388	1.2
149.05954	0.8
150.12769	1.0
151.03918	0.9
151.07527	0.7
151.13591	0.6
157.03979	2.4
157.06462	0.9
157.10086	0.6
161.05980	1.3
161.09633	1.1
161.13260	0.6
163.03947	0.7
164.04672	1.7
167.07065	0.7
173.11739	0.9
175.03906	56.7
176.04320	1.2
177.05507	1.0
179.07042	2.9
187.02679	0.6
192.04195	2.8
192.17493	2.3
193.12233	1.1
207.06528	100.0
208.06818	1.8
211.07414	0.5
225.07614	2.2
235.18082	3.6
236.16435	10.0
236.20148	2.0
269.91632	0.5
279.13300	0.5
279.16861	0.8
280.19064	7.2
280.21768	0.8
287.12808	1.8
305.13937	0.7
307.20135	12.1
315.12210	1.0
323.04257	0.6
333.13379	2.9
345.67178	0.5
351.10748	28.0
351.14526	1.7
369.11856	4.4
369.18710	1.8
369.22229	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1181
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.49763	0.4
53.03945	2.9
55.01858	1.2
55.05502	1.7
56.96538	0.5
57.03423	2.0
61.02916	0.7
65.03929	1.7
67.05491	1.6
68.93597	0.4
68.99785	0.4
69.03430	7.9
69.04500	0.5
69.07063	1.0
70.97368	1.2
71.01352	0.6
71.04977	1.5
73.02905	1.7
77.03926	1.1
79.05503	2.4
81.03419	21.1
81.07052	1.6
82.03747	0.5
83.04993	0.6
83.08589	0.6
85.02908	7.9
89.06045	0.7
91.05482	24.8
93.04498	0.4
93.07027	1.6
94.06545	2.2
95.04961	2.0
95.06105	1.0
95.08614	1.1
97.02881	2.8
99.04459	2.8
102.05543	1.0
103.05444	0.8
105.03387	0.6
105.07050	2.3
107.04949	1.3
107.08576	1.1
108.08124	0.6
109.02882	6.9
109.10162	1.9
115.05479	0.4
117.07020	0.5
119.04947	37.7
119.08582	1.2
120.05264	0.5
121.06483	0.8
121.10133	0.7
123.04416	1.2
127.03937	2.8
129.03372	0.7
129.06938	0.7
131.04895	0.8
132.02032	1.5
133.02898	0.9
133.06473	0.6
133.10110	1.5
135.04420	1.1
135.11703	1.2
136.05206	0.8
137.05959	1.8
137.09561	0.6
138.05492	0.5
139.04036	0.9
139.05032	2.7
143.08601	0.6
145.02815	0.7
145.10152	0.6
147.04411	30.1
147.11668	0.6
148.04752	0.5
149.02342	1.2
150.12775	2.1
151.03903	1.2
151.07526	0.9
151.13589	0.7
153.05489	0.6
157.03966	2.4
161.05986	0.7
161.09663	0.9
161.13258	0.5
163.03915	1.0
164.04686	1.6
165.05482	0.6
171.08125	0.4
173.11732	0.5
175.03908	52.7
176.04303	1.5
177.05443	1.0
179.03323	0.9
179.07039	2.2
189.09026	0.6
192.04161	3.6
192.17459	3.1
207.06531	100.0
207.54800	0.4
208.06912	2.6
217.16995	0.8
225.07544	1.9
227.10861	0.5
235.18060	4.2
236.16454	10.2
236.20203	1.6
245.11482	0.5
246.30222	0.4
279.17029	0.9
280.19077	8.7
287.12662	1.7
288.14020	0.6
305.13858	0.8
307.20172	12.7
309.09744	1.2
315.12207	2.5
323.14682	0.6
330.58279	0.4
333.13425	2.5
351.10748	28.8
351.14096	1.3
352.11130	1.0
369.11682	4.5
369.18384	1.0
369.22156	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05265	0.5
55.05513	8.5
57.07076	2.9
61.33581	0.4
64.78314	0.5
65.03942	0.6
67.05500	2.0
69.07069	8.4
69.91960	1.9
71.08611	1.9
78.27316	0.5
79.05482	2.3
81.07041	2.2
83.08621	3.7
85.10174	1.2
91.05473	1.3
95.04962	1.8
95.08578	1.4
97.06528	1.2
97.10182	2.7
98.96265	0.5
105.03396	1.1
105.07075	0.7
107.04952	1.2
107.08618	0.7
108.99390	0.4
109.06523	3.2
111.04455	0.5
112.26500	0.5
117.07034	0.8
121.06477	0.8
123.04443	5.6
123.08036	0.7
125.05995	31.6
126.03146	1.5
126.06348	1.0
126.70946	0.4
131.08525	0.9
133.10089	0.4
135.08049	0.9
137.05986	25.5
139.07565	1.7
141.05441	2.5
145.10075	0.8
149.09619	1.8
151.07571	2.2
153.05467	100.0
154.05878	1.6
155.05992	0.6
155.52489	0.4
163.07532	7.2
167.07027	6.0
177.09096	9.2
178.09502	0.5
191.10661	0.9
275.20157	1.1
303.26993	0.8
331.26346	7.9
344.44485	0.5
349.27359	16.9
367.28458	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	368.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
53.15688	1.2
55.01864	4.2
55.05508	18.7
55.25529	1.3
56.96554	2.0
57.03435	8.6
58.06602	32.1
59.04979	1.8
60.04525	38.7
65.03906	1.8
67.04259	1.8
67.05507	25.9
68.05029	15.2
68.05833	3.1
69.03414	3.8
69.06721	2.1
69.07065	30.4
70.06583	4.6
71.04974	5.3
71.08615	3.4
79.05493	27.5
80.05030	1.4
80.05825	2.8
81.03407	4.1
81.05808	1.6
81.07056	37.5
82.06576	5.8
82.07369	4.3
83.04978	8.2
83.08614	9.6
84.08126	6.7
85.02904	1.8
85.06541	3.0
86.09212	2.4
86.09708	23.4
86.49013	1.5
88.07630	3.1
91.04966	2.0
91.05484	27.0
93.07043	24.2
94.07370	2.8
95.04955	6.6
95.08601	16.9
96.08129	100.0
97.02876	1.7
97.06526	24.0
97.08896	5.7
97.10146	3.6
98.09669	2.9
99.08070	2.6
100.07608	16.2
105.07023	19.1
106.07344	1.7
106.59949	1.6
107.04937	6.4
107.08598	15.7
108.08132	1.5
108.08871	2.6
109.06516	6.9
109.10146	13.8
110.09718	1.6
111.08068	4.7
112.07582	3.2
114.09169	23.8
115.07548	3.3
116.07103	1.5
117.07045	7.5
119.04926	3.4
119.08588	13.2
121.06483	6.6
121.10152	11.5
122.09657	1.7
123.08058	5.1
123.11673	3.1
124.07616	1.8
125.09593	1.9
128.10703	13.0
128.72537	1.4
129.06970	3.9
130.08629	2.6
131.08563	10.3
132.08890	1.5
133.06511	1.9
133.10155	10.9
135.08047	12.6
135.11679	5.5
136.08369	1.7
137.09596	6.3
138.09142	11.2
143.08542	4.3
145.06424	1.8
145.10110	9.0
146.10439	1.6
147.04407	3.5
147.08054	6.8
147.11668	7.0
148.11113	1.9
148.12137	2.1
149.09660	7.2
149.13258	2.1
151.11130	3.5
156.10199	64.9
157.10204	5.2
159.11703	5.1
161.09558	5.6
161.13242	1.7
163.11183	4.2
165.12679	2.6
165.16591	1.3
171.11707	3.7
173.09587	2.7
173.13275	2.2
175.03862	4.2
175.11211	2.7
177.12770	2.5
185.13258	1.5
189.12758	2.7
207.06512	8.8
217.15836	1.9
227.17976	3.6
237.16391	1.8
245.19006	4.7
255.17464	7.8
258.19281	1.8
263.20026	4.0
272.20175	3.0
273.18503	74.3
274.18842	4.0
275.20193	2.2
276.20364	9.7
277.21558	3.8
280.22937	2.4
290.21146	10.8
291.19540	26.8
292.19763	2.1
294.21228	1.9
295.22693	3.3
308.22128	11.2
332.22089	3.3
350.23370	12.5
368.24423	54.8
369.13580	1.9
369.25754	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.05514	21.4
57.03431	2.8
57.07067	9.3
59.04987	2.1
65.03944	4.9
67.05508	40.3
67.93714	1.6
69.03428	8.8
69.06718	1.9
69.07069	24.7
69.87916	9.4
69.89786	1.5
71.04985	7.0
79.05492	33.6
81.06576	2.6
81.07058	57.6
83.04982	6.8
83.08610	10.7
85.06537	5.4
91.05480	54.3
93.07043	86.9
95.04974	37.8
95.08608	64.0
95.09231	3.0
97.06548	14.0
99.08072	1.7
102.39047	1.5
103.05466	2.9
105.07033	90.9
106.07285	1.7
107.04983	2.5
107.08591	65.8
109.06521	15.8
109.10159	40.5
111.08071	7.3
115.05481	4.8
116.06255	4.2
117.07028	19.5
119.05019	2.9
119.06073	3.3
119.08583	100.0
120.08913	2.3
121.06491	11.8
121.10145	57.7
123.08079	7.2
123.11699	18.6
125.09613	2.6
128.06232	10.8
129.07021	16.2
130.07799	10.7
131.08568	60.2
133.06490	3.0
133.07526	1.8
133.10132	65.9
135.08063	16.5
135.11696	23.2
137.09650	5.0
137.13246	1.8
139.11162	3.6
141.07018	5.0
142.07780	24.2
143.08563	35.7
144.09338	10.3
145.06493	4.8
145.10124	66.8
146.07306	5.5
146.10854	1.8
147.08025	12.3
147.11693	22.8
149.09650	17.9
149.13300	3.0
151.11224	2.3
153.06992	2.8
154.07863	2.1
155.08543	14.7
156.09351	15.6
157.10136	55.2
158.07208	1.9
158.10921	9.5
159.08084	7.8
159.11702	44.2
160.12469	2.4
161.09630	44.5
161.10925	3.1
161.13219	9.3
163.11215	4.9
165.07028	5.1
166.07780	1.8
167.08592	8.6
168.09370	3.6
169.10129	23.1
170.10884	7.3
171.08051	2.5
171.11707	25.8
172.08910	2.1
172.12508	4.9
173.09656	8.1
173.13261	26.5
175.11206	10.1
175.14848	19.8
177.12685	2.1
179.08545	9.4
180.09341	3.4
181.10091	9.6
182.10934	8.5
183.11708	23.8
184.12442	5.5
185.09633	2.3
185.13257	21.6
187.11099	3.6
187.14850	16.4
189.12794	3.7
191.14339	3.0
192.09340	2.0
193.10164	4.2
193.15935	1.7
194.10924	9.2
195.11694	12.5
196.12421	5.6
197.09578	1.8
197.13268	19.3
198.10522	2.8
198.13983	4.2
199.11163	3.0
199.14821	17.2
201.12750	6.3
201.16348	8.7
205.15947	2.6
207.11676	5.8
208.12466	2.1
209.13257	26.6
210.13956	5.6
211.11308	2.5
211.14780	11.1
212.15477	2.5
213.12759	5.8
213.16408	6.2
215.14331	3.3
217.15901	4.4
221.13243	3.5
223.14787	5.0
224.15587	2.0
225.12715	3.9
225.16388	5.1
227.14273	22.6
229.15987	2.9
234.14107	1.6
235.14755	2.0
237.16483	3.6
239.17941	9.6
240.18599	2.4
241.19536	2.9
245.13309	1.6
248.47459	1.7
249.16481	1.8
251.17934	3.9
253.15823	1.9
253.19504	3.8
255.17476	6.5
257.18997	4.1
261.16290	2.0
265.19516	7.1
267.17484	4.5
269.18948	4.5
271.20609	2.0
275.17633	1.9
275.20248	2.1
283.20499	2.6
284.83347	1.8
293.18909	3.3
311.19958	1.6
349.25082	10.5
367.26324	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92159	2.0
53.03946	4.4
55.01875	16.2
55.05514	45.2
56.96551	2.7
57.03437	23.0
57.07072	3.3
58.93654	2.1
59.04989	2.3
65.03941	3.9
67.05510	70.2
68.05813	3.1
69.03436	7.7
69.07079	42.5
70.06596	7.2
71.04993	7.0
71.59898	4.3
71.60320	2.5
72.08155	2.7
72.14356	2.3
73.02934	4.0
79.05500	61.7
81.03419	8.7
81.07060	100.0
82.07384	2.5
83.05002	13.9
83.08617	28.3
85.02909	4.9
85.06544	6.7
91.04624	2.6
91.05478	44.1
93.07044	50.6
95.04967	28.2
95.08617	42.6
97.06531	24.6
97.10175	14.3
99.04434	3.6
99.08097	4.1
101.06010	2.8
103.05511	2.7
105.07037	47.1
107.04976	17.1
107.08598	45.4
109.02918	2.5
109.06520	16.2
109.10174	23.9
110.07146	3.1
111.04462	5.6
111.08059	10.1
117.07056	15.3
119.08588	30.1
121.06528	12.7
121.10155	21.9
123.08057	6.6
123.11697	12.1
125.09654	8.4
127.03961	3.0
127.07564	2.5
129.07014	5.8
131.08562	20.6
133.10146	27.3
135.08081	9.1
135.11723	12.3
137.09605	7.5
139.11160	2.5
141.07062	3.4
143.08601	4.9
145.06454	3.2
145.10120	23.4
147.08055	3.0
147.11687	26.8
149.02344	3.5
149.06000	3.2
149.09619	26.2
149.13261	7.4
151.11201	8.9
157.10179	5.5
159.08040	3.2
159.11720	15.8
161.09738	3.0
161.13264	6.9
163.11241	15.2
165.12782	7.5
170.76308	2.5
171.10248	2.9
172.15759	2.4
173.13269	9.4
175.11169	2.6
175.14787	3.3
177.05438	3.2
177.09146	3.1
177.12752	5.8
185.13280	3.4
187.11221	4.5
189.11243	8.2
195.13824	3.1
197.13293	5.4
207.09996	10.0
213.16318	2.8
219.17508	3.6
223.13336	10.0
227.12819	5.8
229.14322	3.0
229.19614	5.0
236.10733	2.9
236.24173	2.8
239.17786	5.7
245.13905	3.3
247.20580	5.2
255.13907	3.0
257.19012	13.8
269.17502	3.2
275.20071	81.0
276.20377	5.0
293.21201	12.9
295.74899	2.3
308.22055	3.0
335.09131	5.3
349.20511	2.7
349.23865	37.1
367.11655	9.1
367.25278	50.1
368.25018	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87052	1.9
53.03928	7.1
55.01876	32.9
55.05263	3.8
55.05516	73.6
56.96572	6.5
57.03443	29.6
57.07064	3.0
65.03939	5.2
67.05511	100.0
69.03426	6.9
69.07076	27.7
69.76719	10.7
69.77126	4.5
71.04993	5.9
71.08647	2.9
79.05056	4.8
79.05500	69.1
79.05963	3.3
80.50567	2.1
81.03423	9.7
81.07064	91.5
83.04998	21.4
83.08625	54.3
85.02921	2.3
85.06532	6.3
85.88711	2.1
91.05483	63.7
93.07047	69.8
95.04983	45.4
95.08617	65.0
96.08945	2.5
97.02892	3.9
97.06532	15.9
97.10162	11.6
99.08105	2.5
105.07040	46.3
105.07680	4.0
107.04970	24.2
107.08613	50.3
109.06534	9.9
109.10168	34.8
111.04432	5.1
111.08089	35.0
113.06018	2.3
115.05524	2.5
116.98506	6.4
117.07040	21.1
119.08607	36.9
121.06520	14.9
121.10148	35.5
123.08080	17.3
123.11702	5.7
125.09630	12.5
128.98524	2.7
129.06998	5.7
131.00026	12.0
131.08583	32.3
133.06468	3.7
133.10143	43.5
135.08060	11.0
135.11690	18.4
137.09601	11.0
139.11212	4.6
140.98419	4.2
141.07042	2.6
143.00046	6.7
143.08575	7.9
145.06427	3.0
145.10149	33.8
146.99461	4.1
147.08051	5.6
147.11678	17.5
149.01073	3.1
149.09639	36.3
149.13268	5.4
151.11154	11.3
155.08577	5.7
157.01599	3.6
157.10159	5.7
159.11717	17.9
161.01044	2.4
161.09564	3.4
161.13280	8.4
163.11192	41.7
165.12741	10.9
169.10155	5.3
170.99545	5.1
171.11740	3.1
173.01059	4.6
173.09653	5.0
173.13249	11.9
174.99005	14.2
175.11232	4.9
177.00607	7.8
177.12787	7.3
183.11768	5.6
185.01175	5.0
185.13264	3.0
187.02682	3.4
189.00575	26.8
189.11311	4.1
189.12900	3.4
191.02184	4.4
191.10765	3.6
191.14445	3.0
197.11674	2.6
197.13306	3.9
199.02629	3.0
201.04251	11.7
203.02115	3.6
205.12239	3.3
207.13962	4.2
212.02281	3.0
223.13327	8.5
229.03777	2.5
229.19594	8.4
239.18005	15.8
247.20703	8.8
257.19095	16.5
275.07886	3.0
275.20099	86.7
281.06924	2.4
293.10437	3.0
293.21130	20.4
349.13217	3.9
349.16968	15.5
349.23663	21.3
367.14352	20.8
367.18054	5.7
367.24850	74.6
368.14273	3.3
368.25055	6.4
372.18921	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01872	27.1
55.05512	38.3
56.96567	4.8
57.03450	17.6
67.05512	60.1
68.16494	2.8
69.03427	6.5
69.07070	38.2
69.34206	9.3
69.34625	19.4
70.06579	5.6
71.04999	6.6
79.05492	54.0
81.03400	8.9
81.07061	76.4
83.04984	14.9
83.08626	18.7
85.02904	7.7
85.06517	6.8
91.03955	3.3
91.05486	48.1
93.07052	48.3
95.04977	21.2
95.08611	33.2
97.02877	4.3
97.06548	33.4
97.10178	17.8
98.21471	4.8
100.91703	2.9
105.07035	43.9
107.04954	18.0
107.08601	65.1
109.06499	10.7
109.10152	20.1
111.04450	10.0
111.08073	10.3
116.06248	3.3
117.07030	15.7
119.08578	32.3
121.06530	9.0
121.10143	21.2
123.08096	7.9
123.11726	7.6
125.09644	18.5
129.07016	6.4
131.08578	21.9
133.10132	25.0
135.08105	6.8
135.11707	10.5
137.09607	5.8
137.13327	2.8
143.08568	5.8
145.06511	4.3
145.10133	29.7
147.11719	21.5
149.09636	34.7
149.13277	5.7
151.11218	6.0
153.12708	2.9
157.10080	6.5
159.11684	15.8
161.09615	5.3
161.13239	6.6
163.11162	15.0
165.12633	3.6
166.69020	3.5
171.05258	3.1
171.10188	3.8
171.11661	6.2
173.11844	3.8
173.13283	7.5
177.12790	5.1
183.11725	4.1
187.11156	3.7
189.11256	15.6
189.12773	3.6
195.13782	5.3
197.13446	4.1
203.14268	4.1
205.12260	4.1
223.13329	10.1
227.12758	11.4
238.12135	3.0
239.17975	7.8
245.13838	8.5
247.08542	3.0
256.10550	3.3
257.19003	20.8
269.17596	8.4
275.20087	100.0
276.20383	5.9
293.21185	13.5
349.23782	43.9
350.24173	4.1
367.11777	7.9
367.25217	31.6
368.25433	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74119	2.5
51.42652	2.7
53.03939	5.6
53.14519	2.8
54.68756	2.8
55.01874	16.6
55.05512	35.7
56.96574	5.8
57.03440	16.6
57.07072	4.7
57.63984	2.5
65.03944	3.2
67.05169	4.9
67.05507	64.3
69.03436	8.8
69.07073	31.7
69.97210	14.8
71.05000	4.9
71.08624	10.4
79.05498	53.9
81.03416	5.6
81.07060	100.0
83.04985	11.8
83.08616	18.9
85.06554	3.3
91.05482	44.6
93.07050	43.6
94.07452	2.8
95.04971	16.1
95.08614	44.4
97.06546	17.0
97.10181	9.4
99.08098	8.3
105.07037	41.9
107.04938	13.7
107.08600	36.8
109.06546	16.9
109.10169	21.2
111.04471	3.8
111.08102	7.5
115.05462	2.6
117.07025	14.9
119.07786	4.9
119.08581	39.3
121.06526	5.9
121.10136	21.5
122.26271	2.4
123.08051	8.5
123.11725	12.1
125.09627	9.8
129.07011	4.8
131.08560	19.0
133.06430	2.5
133.10136	24.0
135.08080	6.2
135.11723	13.7
137.09639	7.8
137.13216	2.6
143.08614	3.6
145.10133	17.8
147.08073	5.5
147.11688	24.4
149.09612	14.7
149.13280	8.8
151.11229	5.9
156.61786	2.4
157.10159	6.6
159.08083	3.2
159.11703	10.4
161.09575	4.4
161.13274	4.9
163.11203	11.0
165.09090	3.0
165.12776	9.1
170.88422	2.5
171.10249	2.9
171.11653	5.5
173.09595	3.4
173.13287	7.9
175.11270	2.7
177.12788	4.2
187.11238	3.6
189.11221	5.8
193.12149	3.0
199.06569	2.6
207.09978	35.3
217.07419	3.9
223.13242	3.6
229.19492	3.5
231.17482	3.6
239.18011	6.0
247.20462	7.8
255.09045	5.1
257.19083	8.4
269.17590	6.1
273.10104	8.8
275.20050	60.1
278.10785	3.4
285.10233	4.1
285.63861	5.2
293.21100	33.9
349.23883	25.4
358.16589	6.9
367.20901	29.7
367.24838	52.8
368.24689	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01875	21.7
55.05262	5.2
55.05513	65.1
57.03438	34.0
57.07076	5.3
61.02916	2.8
65.03942	3.2
67.05509	88.7
69.03427	6.6
69.06722	3.9
69.07069	43.0
69.38181	12.1
69.38615	13.3
70.06608	2.8
71.04979	11.7
71.08634	6.0
73.25986	2.7
79.05495	70.9
81.03405	12.0
81.07060	79.0
83.04985	39.4
83.08627	42.9
85.02901	9.7
85.06550	6.4
91.05486	41.8
92.05804	2.7
93.07049	67.0
95.04975	72.8
95.08610	41.1
97.02911	4.1
97.06527	17.9
97.10172	20.4
99.04454	17.8
99.08079	6.6
105.07040	38.7
107.04965	18.2
107.08596	61.1
109.06531	13.8
109.10177	21.3
109.26384	3.1
111.04444	41.4
111.08069	16.4
117.07016	16.2
119.08573	33.8
121.06514	13.1
121.10143	35.3
123.08062	10.7
123.11680	6.7
123.36213	2.6
125.05993	3.2
125.09618	22.6
129.07014	5.8
131.08560	27.6
133.10141	24.4
135.08022	12.5
135.11716	20.2
137.09570	3.6
139.11172	6.6
143.08545	3.5
145.10144	25.8
147.08096	6.8
147.11694	15.4
149.09613	41.5
149.13283	11.3
151.11182	5.0
153.12762	5.3
157.10130	6.8
159.08055	3.5
159.11703	16.1
161.09624	4.0
161.13246	3.4
163.11189	35.8
165.12781	10.5
167.10693	2.4
169.10172	3.3
171.11705	3.1
173.11829	4.6
173.13292	9.2
177.12796	8.1
181.12233	5.6
183.11781	4.9
187.11096	4.7
189.11244	16.3
191.10625	2.8
193.12271	4.1
195.13774	5.4
197.13298	3.4
201.12881	2.8
205.12292	10.6
207.13795	3.4
223.13289	60.0
227.12820	5.2
229.19624	5.2
233.15501	2.9
237.14719	3.5
239.17929	4.9
247.20604	7.3
257.19000	12.4
269.17358	16.0
275.20081	100.0
276.20490	3.1
286.15240	5.6
293.21152	51.6
349.23642	7.7
353.21558	4.2
367.11801	3.2
367.24829	83.8
368.24991	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49213	1.3
53.03946	4.1
55.01875	12.6
55.05512	29.1
56.96568	3.4
57.03181	1.8
57.03441	17.8
57.07065	1.9
58.06589	4.7
59.04996	2.3
60.04513	4.8
64.87316	1.3
65.03938	2.0
65.91617	1.3
67.05508	55.3
68.05013	2.8
68.05824	1.5
69.03428	7.1
69.07071	39.7
70.06583	2.4
70.66018	4.2
71.04990	7.8
71.08627	1.8
71.64124	1.3
79.05500	54.3
80.05822	1.9
81.03428	9.2
81.07064	100.0
82.06602	1.8
82.07397	2.1
82.67808	1.5
83.04992	11.3
83.08625	16.0
84.08171	1.5
85.02883	3.8
85.06528	3.6
86.09692	2.1
91.05483	38.4
93.07052	52.9
95.04976	18.5
95.08613	37.8
95.25937	1.5
96.08134	11.2
97.02906	1.8
97.06534	20.3
97.10171	7.8
98.98473	3.2
99.04453	2.5
99.08099	5.5
100.07625	2.0
105.07037	41.0
107.04958	12.8
107.08604	34.5
108.08947	2.0
109.06518	15.5
109.10170	19.2
110.07146	1.6
111.04457	5.3
111.08077	6.3
112.20344	1.4
113.06013	1.5
114.09207	3.3
117.07026	12.6
119.08590	27.8
121.06517	8.7
121.10149	20.2
123.08073	9.8
123.11713	9.5
125.09618	7.6
127.07566	2.4
129.07007	4.5
130.69066	1.3
131.04868	1.4
131.08580	19.5
133.06552	3.5
133.10136	23.9
135.08080	9.3
135.11707	10.2
137.09628	6.3
143.08586	3.5
145.10124	16.9
147.08093	5.3
147.11688	23.4
149.09628	18.8
149.13261	10.3
151.11183	6.1
153.07033	1.5
155.01114	2.1
155.08557	2.2
156.10234	7.7
157.10170	5.7
159.08026	3.0
159.11739	11.8
161.09663	4.1
161.13287	5.9
163.11172	12.6
163.14877	1.8
165.12782	5.9
169.10165	4.0
169.12209	1.4
171.10347	2.3
171.11748	4.4
173.09637	2.3
173.11818	2.8
173.13289	5.8
175.11201	2.1
175.14861	1.6
177.12712	9.2
179.14305	2.0
183.55687	1.5
185.13287	2.8
187.11226	2.1
187.14890	2.2
189.11211	3.6
189.12737	1.6
191.14378	2.2
193.12299	3.4
195.13826	4.8
197.13295	2.8
201.12886	2.2
205.12393	3.5
207.13841	4.0
213.16278	1.7
216.59683	1.5
219.13861	2.4
223.13298	9.0
229.19604	4.1
239.18025	4.2
247.20520	7.7
257.18985	10.2
265.21744	1.5
269.17465	13.6
273.18451	9.1
275.20093	89.7
276.20367	3.4
286.15204	2.5
291.19598	4.3
293.21097	16.6
349.23752	35.5
350.23669	2.3
367.11996	3.4
367.17358	3.9
367.24847	59.0
368.24637	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.2
55.01871	13.7
55.05255	4.0
55.05510	41.3
56.96553	3.5
57.03435	19.8
57.07062	2.4
57.69236	2.9
59.04992	5.9
65.03931	5.2
67.05506	94.3
69.03409	10.2
69.07066	33.3
70.06585	5.9
71.04985	8.7
71.59887	4.7
72.08150	2.5
72.69865	2.3
74.08228	2.6
79.05059	3.8
79.05495	54.1
81.03416	10.9
81.07061	93.2
83.04971	11.2
83.08614	21.8
84.08125	3.2
85.02909	7.5
85.06513	4.6
91.04973	3.2
91.05489	41.5
93.07051	48.5
94.35252	2.6
95.01330	3.4
95.04980	13.9
95.08608	49.6
97.02872	4.2
97.06532	19.0
97.10176	15.3
99.08051	5.1
100.11237	7.2
101.06014	2.5
103.05471	3.5
105.07034	38.6
107.04932	15.6
107.07954	3.3
107.08609	30.3
108.29996	2.2
109.02880	6.2
109.06511	10.6
109.10163	34.4
111.04459	2.4
111.08090	8.1
114.10265	4.5
115.05447	2.8
117.07003	15.5
119.08581	29.9
121.06488	7.9
121.10130	21.7
123.04411	3.1
123.08084	8.4
123.11718	10.3
124.68879	2.5
125.09632	15.2
127.03854	3.2
129.06982	8.7
131.08568	22.8
133.02835	5.8
133.06500	4.2
133.10126	23.7
135.04387	4.6
135.08061	7.3
135.11697	5.9
137.02411	2.6
137.05983	9.0
137.09648	6.1
139.03880	2.7
139.07591	2.6
139.11166	3.1
143.08551	6.0
145.10141	18.4
147.04390	5.8
147.11665	23.1
149.02327	2.8
149.06050	4.0
149.09608	16.3
149.13225	5.0
151.11145	2.7
153.05461	3.7
159.08109	4.0
159.11697	11.2
161.09593	3.7
161.13287	3.4
163.03940	3.1
163.11134	6.9
165.12741	4.3
169.10187	3.5
171.10176	3.2
171.11656	6.4
173.11754	5.1
173.13278	6.7
175.11124	3.8
177.05495	4.1
177.12700	6.2
181.08620	3.4
181.12390	3.2
183.11647	4.8
187.14725	3.4
189.11191	8.5
194.86040	2.7
196.90207	2.7
203.12889	3.0
207.13753	3.3
210.14909	3.3
229.14326	2.9
239.17776	3.5
247.20509	4.9
257.18985	10.3
275.20068	52.6
285.10190	2.9
293.21103	7.8
303.73236	2.9
316.21082	2.8
331.12012	3.5
349.12762	5.8
349.23782	17.4
354.16757	2.6
367.11780	6.1
367.20840	100.0
367.24850	55.4
368.20993	6.2
368.25192	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63869	2.2
53.03934	7.8
53.17946	2.0
55.01665	1.9
55.01872	20.3
55.05267	2.4
55.05514	37.7
56.04338	1.8
56.59627	2.2
57.03443	28.1
57.07068	8.5
57.18602	2.0
60.27079	2.1
65.03932	5.0
67.05508	100.0
69.03432	7.0
69.07069	28.7
69.40689	2.0
69.93720	8.7
69.94125	4.9
70.06615	2.0
71.04986	9.3
71.08634	10.9
79.05058	3.3
79.05498	50.9
81.03416	13.8
81.07060	93.4
82.07409	2.9
83.04995	18.9
83.08607	14.7
85.06536	7.9
85.10168	2.8
89.57413	1.9
91.05486	80.0
93.07043	53.0
95.04973	23.9
95.08606	45.9
97.02896	2.8
97.06531	10.3
97.10154	7.3
98.21455	2.7
99.04457	2.7
99.08070	9.8
104.03506	2.5
105.07037	64.1
106.07288	2.3
107.04972	18.1
107.08602	46.2
109.02966	2.7
109.06525	13.9
109.10157	59.5
111.04420	4.2
111.08100	5.9
113.06017	3.2
113.09615	2.8
117.07012	7.9
119.08590	24.6
121.06508	6.5
121.10148	16.0
123.04388	2.6
123.07251	2.6
123.08051	12.1
123.11716	13.7
125.09625	15.1
129.06931	2.3
131.08578	12.7
133.10133	92.2
135.08058	4.0
135.11713	12.1
137.09637	14.3
137.21428	2.1
143.43190	2.2
145.10170	13.8
147.11687	10.2
149.09625	10.0
149.13226	6.3
151.11186	55.7
155.41139	2.5
159.08018	2.6
159.11678	5.4
161.09657	4.0
161.13277	3.7
163.11121	13.8
163.14856	4.6
165.09174	4.1
165.12856	2.8
169.12305	12.0
173.09644	4.1
173.13272	6.1
175.11201	2.8
177.12793	4.2
179.10661	3.7
183.10219	3.3
191.10617	4.0
195.13855	3.4
199.77228	2.6
209.11818	3.8
223.13309	3.4
229.19542	3.3
247.20560	7.0
253.14322	9.1
257.19037	6.3
267.15802	4.7
275.20084	49.0
293.21161	20.9
309.36282	2.4
349.23666	6.8
367.17657	3.4
367.24820	63.9
368.24939	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.01869	7.3
55.05514	19.1
56.49660	1.7
57.03437	16.9
65.03912	2.2
67.05170	3.1
67.05512	48.1
67.05875	2.4
69.03425	2.2
69.07076	33.2
69.27765	22.2
71.04996	3.7
79.05497	36.8
81.03426	3.4
81.07063	100.0
83.04987	7.1
83.08613	12.9
85.06569	3.5
91.05482	27.2
93.07047	27.8
95.04980	9.3
95.08599	26.1
97.06536	10.2
97.10184	4.5
99.08102	7.4
103.08950	1.8
105.07039	25.3
107.04974	4.5
107.08615	14.7
107.10796	2.0
109.06518	16.1
109.10149	11.9
111.08088	5.0
117.07027	7.9
119.08597	16.2
121.06531	4.4
121.10161	14.3
123.08085	6.8
123.11740	7.3
125.09600	2.3
129.06989	3.8
131.08574	8.4
133.10135	14.3
135.08087	5.2
135.11732	5.5
137.09608	3.5
138.40126	1.9
145.10135	6.4
147.11690	23.3
149.09619	7.8
149.13280	9.0
157.10153	3.9
159.11703	7.7
161.13277	3.1
163.11214	5.9
165.12761	6.4
167.14392	1.7
173.13277	5.0
175.11206	4.2
177.12689	3.5
179.14311	2.1
183.11797	2.0
193.12225	2.8
199.11037	1.7
215.17931	2.7
225.28156	1.7
239.17973	2.3
247.20757	4.1
257.18967	6.5
275.20123	34.6
293.21078	16.9
311.56403	1.7
349.23560	11.0
350.83438	1.8
367.24808	55.7
368.25064	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10329	3.3
53.03936	8.3
55.01881	8.3
55.05307	3.0
55.05512	38.9
56.96564	5.7
57.03435	22.6
57.07092	4.4
57.29446	3.0
64.81273	3.1
65.65295	3.3
67.05508	67.6
69.03420	9.3
69.07070	35.7
70.06579	6.3
70.39403	15.0
71.04998	6.3
71.08617	12.7
79.05495	50.5
81.03401	10.0
81.07059	100.0
83.04978	11.7
83.08614	22.3
84.04517	3.7
85.02910	6.4
85.06559	5.8
91.03951	3.7
91.05492	36.5
93.07040	50.5
95.04989	18.2
95.08610	44.2
96.08122	7.5
97.02905	6.8
97.06536	20.5
97.10172	7.8
98.98467	8.1
99.08101	13.0
105.07037	31.4
107.04972	9.3
107.08590	35.5
109.06503	12.0
109.10133	20.0
111.08109	6.5
114.09295	3.6
117.07018	17.5
119.08579	29.8
121.06503	7.2
121.10145	21.9
123.08076	7.5
123.11732	8.5
125.09646	8.9
129.07040	4.9
131.08560	13.2
133.10095	20.1
135.08099	5.3
135.11693	12.6
137.09595	5.1
145.10118	16.4
147.07999	4.3
147.11685	20.0
149.09631	13.1
149.13271	16.6
151.11154	8.6
155.08525	4.7
157.10109	6.1
159.11713	17.2
161.09651	6.8
163.11172	15.5
165.12793	10.3
169.06125	3.9
169.10030	4.4
173.13318	8.7
177.12695	10.6
179.14336	4.2
183.11725	4.1
189.12761	3.4
195.13925	6.7
247.20412	6.2
257.18997	10.1
267.15860	7.2
269.10446	4.7
269.17456	34.1
275.20068	58.6
276.20416	5.1
293.21188	24.8
335.09082	6.2
349.23682	15.7
367.11789	5.8
367.20547	7.4
367.24817	56.3
368.24649	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
55.01868	18.0
55.05509	49.5
56.96555	9.7
57.03432	19.9
67.05174	6.5
67.05508	82.8
69.03427	15.1
69.07075	41.4
69.50861	10.4
69.51291	31.0
71.04984	7.2
71.08620	22.8
79.05493	55.2
81.03422	19.3
81.07055	78.5
83.04982	23.4
83.08614	30.2
85.02904	9.4
85.06548	6.9
91.05467	36.1
93.07056	53.2
95.04981	39.5
95.08611	46.5
97.02902	8.7
97.06496	13.3
97.10161	17.3
99.04448	12.5
99.08111	21.3
104.98730	4.5
105.07042	37.9
107.04967	14.6
107.08603	45.2
109.06525	12.6
109.10160	25.5
111.04441	18.7
111.08083	10.3
116.98616	5.0
117.07013	12.5
119.08584	27.0
121.06493	9.0
121.10146	28.3
123.08083	6.2
123.11729	9.8
125.09621	14.1
126.09808	4.8
129.07047	5.6
131.08592	22.9
133.10129	22.9
135.08093	7.1
135.11691	19.8
139.11185	5.0
143.08536	5.4
145.10153	20.9
147.11705	12.2
149.09645	18.8
149.13269	5.7
151.11223	13.5
151.36372	4.0
155.08646	4.3
157.59094	4.5
159.11691	10.5
161.09692	5.5
163.11171	16.1
173.13254	5.3
177.12766	12.1
189.11211	12.5
195.13826	5.7
199.73586	5.2
223.13277	28.6
229.19443	8.4
247.20523	8.3
257.19043	7.4
270.98782	4.6
275.20099	70.4
293.21106	55.2
349.24084	5.0
367.11588	5.0
367.24887	100.0
368.24356	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	367.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
54.94755	3.2
55.01873	6.1
55.05522	6.0
56.96558	7.5
57.03435	8.0
59.04998	2.9
61.02922	5.6
62.86773	3.0
63.81157	3.0
67.05511	8.1
69.03431	14.1
69.07061	11.9
69.71961	13.3
69.72374	6.4
70.06598	85.4
71.04993	24.0
72.08166	31.2
73.02950	3.1
79.05487	11.3
81.03433	8.8
81.07061	61.8
82.22337	2.8
83.04983	8.9
84.04514	4.3
84.08149	5.5
85.02914	25.9
86.09689	3.9
87.04447	3.0
89.07168	4.9
91.05491	4.1
93.07046	6.5
93.30698	2.8
95.04954	7.4
95.08591	4.8
97.02886	13.2
97.06548	7.2
97.07650	20.0
98.97586	15.1
99.04483	6.8
99.08060	5.6
102.47082	2.8
103.05489	4.0
105.07056	3.9
107.04970	3.0
107.08591	12.1
107.61306	2.7
109.02884	4.9
109.06509	5.5
109.10158	12.3
111.08061	4.5
111.11740	5.3
112.08741	23.7
114.10294	79.7
116.07072	4.7
116.98596	7.3
119.08629	3.8
120.08100	3.3
121.10130	5.8
123.11701	16.5
124.07616	3.0
125.05972	7.8
127.03915	9.1
128.98598	5.4
131.04976	4.3
133.10089	3.9
134.99629	4.7
136.07568	4.0
137.06001	8.4
139.03917	4.4
139.11171	8.2
146.99693	7.4
147.04347	3.5
147.09186	8.8
151.03905	3.9
151.11206	27.9
153.05476	17.6
153.30803	3.3
154.06004	4.1
155.03355	3.9
157.12254	16.5
158.99660	4.0
161.01378	3.9
161.05984	4.3
163.03879	7.3
167.07022	6.1
169.12257	30.1
177.00758	3.9
177.05527	3.1
177.09232	4.7
185.08113	33.9
186.08466	10.7
187.13301	100.0
191.07108	5.0
192.07872	3.7
205.14410	4.7
219.01704	5.4
229.07301	5.0
237.02858	10.1
269.85480	3.6
281.14981	14.6
285.58304	3.1
287.22354	7.0
323.11478	4.1
350.13443	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42189	0.6
55.01851	2.2
55.05521	4.7
56.96570	19.6
57.03420	2.2
59.04987	0.8
65.03938	0.9
67.05508	8.1
69.03423	0.9
69.06767	0.5
69.07073	4.5
70.06564	1.1
71.04968	1.2
71.60083	0.9
71.95248	2.4
72.40074	0.8
72.96034	1.2
79.05499	8.7
81.03415	1.5
81.06583	0.7
81.07060	13.2
83.04967	2.0
83.08606	2.4
84.96014	1.0
85.02892	1.3
91.05475	5.7
93.07055	5.8
95.04984	4.9
95.08620	4.9
95.66747	0.6
97.02836	0.7
97.06503	2.5
97.10146	2.4
103.05421	1.1
105.07036	5.6
107.04948	2.1
107.08604	5.4
109.02853	1.2
109.06491	1.5
109.10174	3.2
110.97513	1.0
111.04436	0.7
116.98603	0.8
117.06998	1.2
119.08598	3.9
121.06505	2.3
121.10119	2.8
123.01163	0.9
123.08031	0.8
125.09583	1.2
127.03876	0.8
128.98613	3.3
129.07005	0.9
131.08594	3.0
133.01701	1.1
133.10153	3.4
135.08055	0.8
135.11658	1.8
137.05988	0.7
143.08621	1.0
145.01685	1.2
145.10098	2.8
146.99648	4.8
147.03300	0.8
147.04376	1.1
147.08015	0.8
147.11665	1.8
149.01192	0.7
149.09637	4.7
151.11211	0.8
153.09059	0.8
155.03757	1.4
155.61327	0.6
159.03314	0.7
159.07857	0.7
159.11703	1.6
161.01212	1.5
161.06012	0.8
163.11154	2.4
165.09119	0.7
173.04903	1.2
177.05748	0.6
177.12692	0.6
178.44049	0.7
181.05382	0.7
183.03291	0.7
185.04837	1.5
189.04276	0.8
189.11246	1.2
191.05937	1.2
195.06920	1.3
199.06393	3.9
199.14752	0.8
201.04385	0.8
201.07973	1.4
203.05841	2.7
205.07318	1.2
205.12267	1.6
211.06393	2.2
211.13239	0.7
213.07968	6.2
215.02248	0.7
217.07545	5.7
219.09065	1.7
223.08467	1.5
223.13208	1.2
225.07918	3.7
227.05835	0.7
229.07474	13.3
230.07863	0.7
231.09048	13.1
237.07846	1.2
239.09523	2.6
241.11150	2.8
243.08917	5.1
245.10495	0.6
247.08542	14.0
251.09654	3.4
252.09108	1.7
255.09082	4.2
257.10565	2.6
257.19031	1.3
259.12189	3.9
261.10211	0.9
267.08951	1.0
269.10629	23.2
269.17456	1.7
270.10498	1.4
273.10196	3.4
275.20114	13.7
279.09024	2.2
280.09650	1.5
285.10089	1.2
287.11658	14.5
292.12268	3.7
293.21051	1.9
297.10013	1.6
298.10913	1.3
310.13150	1.1
315.11078	1.5
316.11823	0.8
331.15811	7.8
335.08646	0.8
340.24838	1.7
349.16827	14.2
349.23792	2.5
350.16956	1.1
367.17850	100.0
367.24258	4.5
368.18225	5.8
372.18466	2.6
385.18948	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	367.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51578	0.8
51.76712	0.9
55.01873	1.8
55.05514	4.0
56.96565	1.5
61.19637	0.8
65.03931	1.0
67.05506	3.5
68.99785	5.8
69.03414	1.4
70.06599	1.1
70.89788	2.2
72.93775	1.1
79.05505	1.8
81.03416	1.5
81.07053	1.0
83.04987	2.7
83.08632	1.6
85.02902	2.8
91.05491	3.8
93.07075	1.1
95.01338	3.0
95.05001	5.4
95.08622	1.7
97.02865	1.8
97.10169	1.4
100.11256	2.0
103.05529	1.0
105.07038	2.1
107.04992	1.4
109.02879	2.3
111.04442	9.7
111.08086	1.0
115.05465	1.1
117.07025	1.2
119.08561	1.5
121.02865	1.3
123.00797	6.3
123.04433	63.6
124.04796	1.4
127.03901	2.8
128.06230	1.1
129.06999	2.6
131.04942	1.1
135.04410	2.0
135.08096	2.3
137.05991	2.3
139.03906	56.3
140.04335	1.2
145.02852	1.8
145.06490	3.2
145.10110	1.0
147.04436	2.2
149.02341	1.3
151.03909	100.0
152.04280	2.4
153.01968	1.0
153.05467	1.4
155.03398	5.1
155.04623	0.8
157.06485	1.6
159.11687	0.9
160.05267	1.3
161.05977	5.2
163.03903	8.0
165.01833	1.3
167.03459	1.4
169.05009	3.4
171.06563	3.7
172.87267	0.7
173.05989	1.6
175.07582	1.6
177.05452	1.8
179.03409	4.7
181.05002	2.1
183.02878	1.6
183.04405	1.1
185.05998	1.5
185.09430	0.9
187.03917	3.1
188.04660	1.4
189.05463	1.6
191.03392	2.0
199.01743	1.3
199.06023	23.4
199.07765	1.8
201.05467	13.7
202.06166	1.4
203.07036	10.7
205.04987	3.4
211.04018	0.9
213.05492	2.5
215.03459	4.4
229.04984	33.6
229.07320	1.6
230.05478	1.8
231.06570	4.3
233.04416	1.9
233.08116	1.9
234.99092	2.1
239.03322	1.0
241.04924	1.6
245.13046	0.9
247.06070	1.6
249.13702	0.9
257.01743	1.8
257.04477	31.3
258.00522	1.2
258.04971	1.9
261.07611	7.0
267.03027	1.1
271.06091	7.9
275.05554	1.2
285.03983	1.3
289.07089	18.5
289.10190	1.7
299.05588	3.8
309.07001	0.8
317.02863	1.2
317.06561	22.0
318.06769	1.1
331.08194	5.6
331.11557	1.5
335.07703	3.2
349.09213	17.5
349.13214	1.7
350.09329	1.1
358.21518	1.1
367.11264	1.5
367.21960	14.0
367.72189	4.6
369.71558	1.0
387.25211	0.9
392.54254	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12043	1.1
53.03943	1.1
55.01867	1.5
55.05500	1.4
55.10794	0.9
59.04996	1.4
65.03925	2.2
67.05499	2.7
68.99785	8.2
69.03434	1.5
69.87862	6.6
70.06563	1.3
71.04971	1.1
79.05466	1.4
80.05286	1.0
81.03404	1.9
81.07066	2.2
83.04985	2.3
83.07397	1.0
85.02895	1.7
91.05476	3.6
93.03423	2.2
95.04970	1.7
95.08624	2.1
105.07021	1.8
107.04959	1.3
107.08562	1.6
109.02882	3.8
109.10129	1.1
111.00807	1.6
111.04443	4.5
111.75932	1.0
114.10287	1.3
115.05378	1.0
116.29384	1.2
117.06992	1.5
119.04942	2.6
119.08553	1.4
121.02879	2.7
123.04426	2.9
127.03896	2.2
128.06226	1.4
129.06978	2.3
130.06525	1.0
131.04935	2.8
133.06506	1.9
135.04402	2.5
137.02357	7.8
137.06007	3.5
138.12640	1.0
139.03906	100.0
140.04198	2.5
141.12737	1.6
142.13106	2.1
144.08078	1.7
145.02853	1.2
145.06470	2.5
147.04420	1.7
149.02370	2.5
151.03862	6.3
151.07515	1.2
155.04897	2.6
157.06470	3.3
159.04483	2.9
161.05989	10.4
161.09599	1.2
163.03926	17.7
163.07527	1.4
165.01860	1.3
169.04944	3.0
169.12213	1.2
173.05977	6.4
175.07568	1.3
177.05440	2.2
179.03433	1.6
183.04382	2.1
185.05905	2.0
187.03906	9.0
188.04584	2.6
188.07109	1.8
189.05476	2.8
191.03384	4.4
197.04436	1.4
199.05960	1.0
201.05478	28.9
202.06219	5.8
203.07011	12.5
205.04968	4.1
211.03929	2.9
213.05458	2.9
215.03442	7.9
215.05176	1.3
223.05978	1.2
224.09117	1.6
227.03377	1.4
229.04967	67.4
230.05521	5.0
231.06473	5.9
233.04466	2.6
233.08116	4.5
239.03418	4.0
241.04852	3.0
243.06558	2.1
247.06116	5.3
257.04468	59.9
258.04831	4.2
261.07590	15.1
265.04608	1.1
267.02890	4.5
271.06018	21.9
272.06363	1.6
275.05542	4.9
285.03940	2.2
289.07095	39.8
290.07458	1.5
299.05499	12.8
317.06552	46.1
318.06924	2.4
331.08096	17.6
335.07669	2.5
349.09119	14.7
349.12793	1.7
362.02429	5.8
367.10358	4.4
367.16852	2.7
367.20905	2.4
380.03528	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63894	1.5
53.03946	2.2
53.78751	1.6
55.01881	3.8
56.96568	2.9
57.03428	4.1
67.05486	2.3
69.03408	6.8
69.07051	2.2
69.31824	1.4
69.75674	10.9
70.06598	9.8
71.01341	1.9
71.04987	3.5
72.08138	1.9
77.54221	1.4
79.05474	2.7
81.03414	4.3
81.07059	5.6
83.04959	2.1
84.04514	2.8
84.08131	2.6
85.02904	9.4
86.09700	6.0
91.05473	4.2
93.07066	1.6
95.01333	27.7
95.04974	3.7
95.08595	2.1
97.02888	4.0
98.21401	2.5
98.97590	3.4
100.02205	1.6
103.05453	2.5
105.07030	7.9
107.04987	3.0
107.08569	1.5
109.02889	1.8
109.10149	2.1
113.02344	9.9
114.10292	2.9
115.05466	4.5
116.06332	1.5
116.07109	3.1
116.98665	2.0
117.06992	3.9
120.08090	1.5
123.04432	6.1
127.03912	2.0
128.06226	2.7
131.04941	9.7
131.06848	1.4
132.04457	3.4
133.06476	6.4
133.10181	2.5
134.99675	2.3
137.06015	2.9
139.03911	2.4
140.07005	1.5
141.06999	2.4
143.08617	2.1
145.06441	8.3
147.04446	2.5
147.08112	3.2
147.09177	19.4
148.05124	1.8
151.03880	1.8
152.06192	1.8
153.07014	2.8
156.05714	4.7
157.06503	3.1
159.04471	4.6
160.05162	2.3
161.05986	10.2
163.03909	3.9
165.05516	1.6
167.07016	18.3
171.08058	7.4
173.05995	3.7
175.07498	1.9
176.04700	3.6
177.00648	1.6
177.05487	6.7
177.07271	2.0
178.06274	2.8
181.06461	3.6
181.08650	2.1
184.05243	4.3
185.05916	2.3
187.09552	1.7
187.13293	4.7
189.05431	1.8
190.06160	2.6
191.07018	7.0
192.07895	2.7
193.04936	2.4
193.08621	17.2
194.05814	3.7
195.06416	1.9
198.06815	3.6
198.12004	1.6
199.07527	9.0
201.05493	3.3
203.07047	1.9
205.08453	3.5
207.06638	2.7
209.08083	8.6
212.04591	4.2
217.08580	2.6
218.05678	1.6
219.06541	3.4
221.08173	2.9
223.06081	2.2
227.07002	12.2
229.05084	2.1
231.06607	3.2
231.10223	3.5
233.08052	6.3
235.09787	1.7
244.07243	2.3
245.04521	3.7
245.07970	2.5
251.09128	3.6
259.09650	4.4
261.07574	8.0
275.09207	2.1
277.10733	3.6
281.14960	32.7
287.08929	2.8
289.07138	1.7
293.10220	2.0
305.10141	10.6
307.07941	2.8
321.09607	1.9
323.11264	100.0
324.11563	6.5
324.15341	2.2
339.10675	5.8
344.11823	3.7
350.13385	8.6
367.09781	11.5
367.16562	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90445	0.7
55.05506	2.0
57.03448	1.7
59.04999	1.6
60.04518	1.8
67.05499	9.3
69.03429	3.2
69.07072	3.5
69.27363	8.9
69.56082	0.8
71.04996	20.4
79.05495	1.6
81.03437	1.3
81.07059	10.0
83.04959	2.1
83.08646	1.2
85.02911	7.3
85.06547	33.8
86.09702	4.2
91.05478	9.8
93.07056	6.5
95.08637	1.9
97.02875	1.4
105.07037	7.7
106.18682	0.7
107.08595	10.8
109.06535	2.0
109.10162	19.4
110.10504	0.9
111.08087	2.1
113.05992	1.6
120.08105	1.8
120.51474	0.8
123.11719	4.4
125.09655	1.3
127.03909	1.4
130.06546	2.6
133.10138	35.2
134.10559	0.9
139.03929	1.0
139.11165	0.9
145.04921	1.3
151.11185	31.3
161.05882	0.9
166.08672	1.4
169.12254	35.6
171.30046	0.9
173.12907	1.1
176.07025	4.4
187.13300	100.0
188.13698	2.2
192.07758	0.9
201.12401	1.2
205.58852	0.8
222.94637	0.9
227.11803	2.7
245.12823	3.4
253.11804	1.4
340.62177	0.9
366.15018	1.3
383.32813	0.8
385.89011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
55.05504	2.9
55.26027	0.8
55.64922	0.8
56.96554	1.6
57.03445	1.1
59.05005	4.6
61.02901	1.3
67.05501	7.9
69.03419	1.7
69.07067	44.9
69.46152	9.1
70.06578	3.1
71.04993	4.7
71.93439	0.9
72.01828	1.0
72.08154	2.0
79.05470	2.0
80.05025	1.0
81.07056	7.4
83.08607	1.2
84.04527	0.9
84.70174	0.9
85.02905	4.5
91.05469	4.9
93.07026	3.1
95.04963	1.9
95.08573	4.5
97.02892	1.4
97.06548	1.3
105.07031	2.7
107.08612	8.1
109.02896	1.3
109.06541	1.6
109.10159	100.0
110.10486	1.3
111.08075	1.2
113.05985	3.4
113.09622	1.3
114.10360	1.9
116.30553	1.1
117.09164	1.5
117.80074	0.9
119.08583	1.2
121.10138	1.7
123.11710	16.4
125.09628	1.0
127.03934	1.8
127.11201	24.6
133.02867	1.3
133.10118	2.6
134.09618	2.1
136.06232	5.0
137.05977	1.7
145.10170	1.0
147.04419	1.2
151.11188	11.6
155.37579	1.0
163.03870	2.0
169.12247	28.9
180.08664	1.8
187.13300	25.7
195.14218	1.0
229.04889	1.7
257.04431	1.6
264.19717	3.0
275.20102	1.4
304.56604	0.9
306.21707	1.1
307.20343	1.0
323.24387	6.7
339.22861	1.1
349.23737	1.3
366.21524	2.0
367.15421	2.3
367.23474	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	366.0589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.8
60.04507	0.8
67.17313	0.8
69.03421	1.8
70.06596	2.1
71.57676	1.3
79.52190	0.7
81.03449	0.9
81.07063	0.7
83.04998	0.9
83.84113	0.7
84.04540	0.7
85.02899	4.3
95.04961	1.4
97.02892	1.2
98.97600	10.0
109.02820	0.8
109.06518	0.8
111.04420	1.0
116.07158	0.7
116.98634	11.5
121.02812	0.9
123.04414	1.8
123.08013	1.0
126.05463	0.7
127.03921	1.7
132.04457	0.9
134.91895	0.8
134.99670	6.2
136.84407	0.9
139.03897	0.9
140.05307	1.3
144.36516	0.8
145.05013	0.7
146.06009	0.9
148.03947	4.3
153.00679	1.1
158.99626	2.6
162.05515	1.0
169.08620	1.1
173.62543	0.7
175.11957	0.8
176.00200	2.1
177.00725	5.8
185.04262	1.0
185.98532	4.5
186.05968	3.7
194.01213	5.1
203.05328	3.3
203.99670	7.8
204.06898	3.1
222.00754	100.0
223.01070	3.0
237.02705	0.8
240.01816	82.6
241.02199	2.1
245.02382	5.1
246.00688	9.9
263.03534	3.5
264.01794	64.2
265.02206	2.2
282.02899	12.9
287.03418	8.9
304.13580	0.9
306.02832	5.8
324.04019	2.6
366.07706	2.3
366.11319	8.4
367.10660	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	366.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00714	0.5
69.95742	2.8
87.52023	0.6
90.80812	0.5
110.39622	0.5
116.98677	0.8
119.01900	2.0
127.25214	0.6
137.02925	1.1
177.00960	9.0
178.01115	0.5
179.00687	0.6
183.06137	1.0
193.15646	0.5
201.00951	0.8
201.07231	1.6
201.60507	0.5
217.04007	0.5
219.02003	14.2
220.02155	0.9
221.01862	1.5
222.98000	0.7
225.00955	0.8
235.00008	7.1
236.00162	0.8
240.98976	1.7
242.03568	0.6
243.02007	1.4
253.01117	3.9
259.00006	16.0
260.00089	1.3
260.04596	1.3
261.00061	2.2
261.03058	32.8
263.02917	1.0
264.98972	2.3
276.97855	0.7
277.01050	31.5
278.01205	1.9
279.00739	3.1
282.99991	37.2
283.06268	1.9
284.00113	2.9
284.04749	1.9
285.00082	0.7
291.99722	0.8
301.01053	100.0
302.01160	7.7
303.00986	2.0
319.02127	8.5
320.02020	0.9
324.02826	4.5
325.01007	5.3
341.02188	1.1
342.01886	5.2
343.02112	49.3
343.08646	1.5
344.02225	2.1
360.03088	1.0
361.03174	21.2
362.03375	1.1
366.03574	3.3
384.03287	4.1
385.03271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05506	5.1
56.55086	1.0
57.07071	2.1
57.96820	1.1
65.03933	1.2
65.57422	1.1
67.05499	6.3
69.07072	7.3
69.43765	5.4
69.44183	3.5
71.08624	1.2
79.05485	2.3
81.07059	4.5
83.04974	0.9
83.08618	3.5
91.05484	1.9
93.07039	1.8
95.04958	1.7
95.08611	4.5
97.06537	3.7
97.10177	2.4
107.04983	1.0
107.08603	1.7
109.06522	1.0
109.10208	1.7
110.03652	1.1
111.04442	1.6
113.53249	1.2
117.06981	1.5
119.08604	1.5
119.59550	1.0
121.10194	1.1
123.04449	2.7
123.08074	1.4
124.28741	1.0
125.05993	60.7
131.08578	1.1
133.06514	2.1
137.06000	3.7
139.03899	4.3
141.25549	1.1
145.10205	0.9
147.08128	1.2
153.05472	100.0
154.05836	1.9
163.07564	4.1
167.07059	1.6
169.10121	1.1
173.09557	1.1
175.07552	1.4
177.09138	3.9
179.07039	6.8
182.25951	1.0
186.00217	0.9
193.08588	9.1
199.84793	0.9
203.05360	2.2
231.02859	1.1
273.18533	1.8
329.24829	2.8
347.25778	6.3
365.10635	10.3
365.26920	3.8
387.21399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.3052
Annotation	noladin ether
Peak:m/z	Relative Intensity
51.67704	0.4
51.86665	0.3
53.03945	0.5
55.01863	0.3
55.05269	0.5
55.05513	7.3
57.07081	1.9
61.31981	0.3
67.05507	0.7
69.07072	5.4
70.31396	1.0
71.08624	0.8
79.05487	0.7
81.07046	0.8
83.08624	3.0
88.87212	0.4
89.23602	0.4
89.99876	0.4
91.05475	3.2
93.07049	1.7
95.04972	0.6
95.08605	0.8
97.10165	1.1
100.87574	0.4
105.07062	0.4
107.04946	1.5
108.05720	0.7
110.23929	0.4
121.06493	3.0
121.10144	0.4
123.08080	2.0
124.05196	1.9
135.08009	0.4
136.05182	1.2
137.05939	0.9
139.07556	5.4
147.07930	0.4
151.07544	100.0
152.07874	0.9
165.09103	1.0
205.30743	0.3
263.20074	1.7
303.34912	0.4
347.26178	0.8
347.29453	18.9
348.29932	0.4
362.87708	0.4
365.10464	1.4
365.26971	1.2
365.30548	20.3
366.30682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Methyl 15-isobutyloxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.41676	1.0
51.88688	0.8
55.05518	3.9
57.07067	2.9
67.05513	3.5
69.03429	1.5
69.07068	4.3
69.36414	4.0
69.36846	4.5
71.08620	2.3
79.05492	2.9
81.07056	5.6
83.08616	2.9
85.10200	1.6
87.67516	0.8
91.05470	1.3
93.07043	1.0
95.04970	1.1
95.08612	4.6
97.06531	1.8
97.10174	1.0
101.50543	1.0
105.07012	2.0
107.04985	1.3
107.71172	0.9
109.06570	1.4
109.10165	2.1
112.37888	1.0
118.27824	0.9
119.08591	1.5
121.06516	1.8
121.10140	1.0
123.04459	1.1
125.06001	31.0
129.07024	1.4
133.06570	0.9
135.08124	0.9
137.06006	2.9
145.10046	1.3
147.08047	2.9
153.05472	100.0
154.05800	2.2
159.08067	2.2
161.06000	3.9
161.09686	1.8
163.07591	2.0
167.07089	2.9
175.07573	4.3
177.09100	3.5
179.07045	6.7
189.09160	2.1
190.37094	1.0
191.10579	1.3
193.08629	11.1
203.10680	1.3
207.10117	2.6
287.86200	0.9
291.19617	1.0
301.25131	1.4
311.36176	1.0
319.26306	1.4
329.25043	5.3
347.25735	4.5
365.10681	1.8
365.27008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95074	1.8
53.03936	8.7
55.01875	19.5
55.05513	31.1
56.54600	1.9
56.96568	2.3
57.03437	24.9
57.07071	4.1
59.05006	12.6
62.07304	2.0
65.03928	4.5
67.05507	100.0
69.03432	11.3
69.07072	29.9
70.06223	2.1
71.04982	8.1
79.05068	4.0
79.05499	64.8
81.03439	11.2
81.07059	99.6
83.01338	3.9
83.04982	24.3
83.08628	13.1
83.98537	1.9
84.39787	2.0
85.02906	3.0
85.06543	7.8
91.05483	96.4
93.07047	65.8
95.04976	29.4
95.08612	34.7
97.02883	4.5
97.06525	13.6
97.10165	4.4
103.03935	2.5
105.07032	71.3
107.04951	24.4
107.08599	58.0
109.02866	3.6
109.06531	13.0
109.10155	63.6
111.04423	4.5
111.08073	12.9
113.06017	2.5
115.05428	2.8
117.07014	15.3
119.04930	2.0
119.08590	21.1
121.06532	13.1
121.10138	18.2
123.04408	3.0
123.08067	8.3
123.11724	15.0
125.05926	2.3
125.09582	3.8
127.07540	2.6
128.06229	3.0
129.06958	6.9
131.04933	2.8
131.08585	27.0
133.06526	19.3
133.10130	96.9
135.08054	20.3
135.11673	7.5
137.05984	6.8
137.09618	6.3
139.07555	3.0
143.08553	8.8
145.10152	14.6
147.08055	9.1
147.11687	5.3
149.09622	20.6
151.11186	54.5
157.10132	6.7
159.08040	8.6
159.11659	5.9
161.09636	17.5
161.13290	5.1
162.58394	2.0
163.11249	6.0
165.09108	2.0
167.10649	2.2
169.10083	2.7
169.12288	10.8
169.13490	1.9
171.11714	6.7
173.13177	2.5
173.15276	3.1
175.11180	7.6
177.09116	10.9
177.12708	3.3
179.10677	5.8
185.09532	2.5
185.13303	3.6
189.12727	3.9
195.11725	2.4
197.13419	2.6
207.13893	2.4
215.12785	5.8
217.15894	2.2
223.13264	3.9
227.17993	5.7
229.29150	2.3
235.13225	2.3
245.18962	10.5
251.12910	2.5
253.14346	72.3
263.20071	11.1
269.13907	6.7
273.18484	42.8
291.19565	34.1
328.43234	2.0
334.06519	2.2
347.22302	11.5
365.23236	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.5
54.09584	1.4
55.01873	7.4
55.05266	1.8
55.05510	25.2
56.96551	5.4
57.03434	10.9
59.04981	2.3
67.05504	35.0
69.03431	13.3
69.06733	2.0
69.07070	35.7
69.55096	3.6
69.55526	6.8
69.58915	1.1
71.04988	3.7
73.02916	2.2
79.05492	29.4
81.03421	8.2
81.07056	29.2
83.04985	6.0
83.08611	10.3
85.02888	3.7
91.04956	1.9
91.05480	17.8
93.07050	19.2
95.04964	12.0
95.08141	1.3
95.08617	13.5
97.02893	14.3
97.06522	5.2
97.10165	13.7
98.00595	1.1
98.19530	1.2
105.07033	14.6
107.04943	7.8
107.08591	15.2
109.02905	3.0
109.06506	4.5
109.10149	12.6
111.04417	2.9
111.08073	3.7
117.07024	5.9
119.04967	1.7
119.08582	14.1
121.06491	4.2
121.10142	7.9
122.21252	1.2
123.04449	2.9
123.08087	7.0
125.09621	11.4
129.07001	3.8
131.08585	7.2
133.06480	2.7
133.10106	8.3
135.08043	4.8
135.11682	3.5
137.09590	4.8
143.08559	4.5
145.10121	6.9
147.08012	7.5
147.11630	4.0
149.09625	2.9
149.13219	2.2
153.09044	2.9
157.10124	4.1
159.08031	2.0
159.11690	3.5
161.09608	5.1
163.11197	1.8
164.45375	1.2
165.09071	2.9
171.11671	2.7
175.11121	3.7
177.12648	1.8
189.08585	1.4
189.11211	9.1
193.12247	8.5
195.13779	2.9
203.05513	1.3
205.12202	2.1
223.13271	25.8
227.12749	2.9
231.08961	1.5
243.09109	1.6
245.19000	3.2
255.09000	8.0
255.17377	1.7
263.20065	3.4
267.09091	4.0
269.10596	3.4
273.10123	8.2
273.18463	23.5
278.10483	2.7
284.12732	3.4
285.10095	5.6
287.11609	2.4
291.19537	100.0
292.19788	4.3
296.60626	1.5
317.12445	1.8
340.15485	1.4
347.22128	4.1
348.42944	1.2
365.16373	8.1
365.23209	79.3
366.15811	1.4
366.23276	2.1
383.17743	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03929	4.0
55.01875	11.5
55.05511	29.3
56.96559	6.5
57.03441	14.1
57.07086	2.3
59.04998	1.8
59.41521	1.2
60.64167	1.2
63.61309	1.6
65.03952	2.7
67.05505	52.6
69.03429	12.0
69.07069	35.2
69.50525	4.3
69.50941	6.6
70.02337	1.4
71.04966	5.0
79.02216	1.6
79.05054	2.7
79.05495	39.7
81.03416	8.6
81.06578	2.4
81.07058	46.8
83.04998	11.5
83.08625	12.1
84.04507	1.5
85.02935	2.0
85.06548	3.4
85.86132	1.2
86.09677	1.4
91.05480	41.4
93.07047	35.0
95.04972	14.8
95.08614	23.6
97.02879	9.8
97.06521	6.0
97.10171	13.3
98.21596	1.6
102.07876	1.4
105.07024	31.2
107.04940	12.1
107.08595	30.7
109.02893	2.2
109.06510	6.6
109.10152	22.0
111.04446	3.6
111.08089	4.7
113.06015	1.5
117.07015	12.7
119.08594	17.5
121.06496	7.7
121.10162	10.1
123.04453	2.2
123.08078	6.3
123.11711	4.6
125.05994	2.0
125.09624	12.3
129.06996	5.8
131.08559	16.1
133.06476	9.2
133.10132	28.3
135.08069	10.0
135.11678	5.4
137.09633	8.0
142.07803	1.6
143.08562	5.4
145.10100	8.1
147.08073	7.6
147.11693	4.9
149.09654	12.0
149.13263	2.6
151.11172	18.3
153.09091	2.4
153.12692	1.6
157.10176	4.3
159.08032	4.4
159.11687	5.1
161.09616	7.0
161.13319	2.7
163.11189	3.7
165.09151	3.1
169.12268	2.0
171.11705	3.8
175.11229	4.4
177.09105	3.8
177.12836	2.4
179.10733	2.4
185.13213	2.0
189.11237	6.8
189.12770	2.4
193.12286	2.3
195.13850	2.0
205.12277	3.6
215.12706	1.9
223.13304	22.2
227.12834	2.5
227.17906	2.2
245.19008	5.9
253.14325	9.7
255.17416	2.0
263.20035	6.2
269.13895	2.7
273.18478	31.5
274.18619	1.7
276.19614	1.6
285.09982	2.0
291.19547	78.7
292.19913	2.2
309.17349	1.8
309.20731	1.9
347.22202	5.0
365.10687	3.2
365.16025	2.6
365.23206	100.0
366.23529	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	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01875	21.6
55.05508	32.8
56.96561	5.1
57.03437	29.0
57.07070	5.5
61.02940	4.9
65.03931	4.4
65.17052	1.9
67.05502	93.0
67.94820	1.9
69.03434	13.6
69.07064	27.6
71.04976	8.6
71.60091	2.0
71.60489	2.5
73.02892	2.6
79.05491	73.1
79.05959	3.5
81.03427	15.2
81.07056	96.3
83.01352	2.3
83.04989	24.2
83.08619	16.5
85.02908	5.1
85.06551	11.5
91.05481	89.6
93.06465	4.2
93.07045	71.8
95.04968	25.8
95.08610	37.3
97.02872	6.3
97.06523	13.8
97.10157	5.3
99.04476	5.4
103.05433	2.5
105.07031	65.8
107.04959	21.2
107.08598	56.1
109.02886	2.6
109.06523	16.1
109.10153	53.9
111.04452	3.7
111.08086	10.2
113.06038	2.6
113.51830	2.2
113.73946	2.5
116.98661	2.7
117.07013	18.1
119.08565	24.5
121.06491	11.3
121.10154	17.2
123.04444	5.2
123.08076	10.1
123.11720	15.7
125.09645	2.4
127.07563	2.7
129.07016	8.8
131.08578	24.8
133.06502	17.2
133.10130	100.0
134.10487	3.2
135.08044	19.6
135.11708	8.3
137.05986	4.6
137.09621	5.3
139.07556	7.7
143.08569	9.8
145.06493	2.9
145.10144	13.6
147.07997	12.1
147.11699	9.3
149.09624	20.6
151.07515	2.7
151.11179	52.8
153.12737	2.4
157.10168	7.0
158.99594	2.2
159.08083	5.4
159.11703	7.2
161.09624	15.4
161.13243	4.0
163.11201	7.1
169.12274	9.0
171.11703	5.8
175.11197	8.9
177.00757	3.0
177.09074	10.4
179.10591	2.8
179.14360	2.3
185.13255	4.0
189.12732	5.8
193.12334	2.6
199.11232	2.3
203.14230	2.2
215.12845	5.3
217.12224	2.9
223.13512	2.3
245.19125	11.6
253.14334	57.6
255.17488	4.7
263.20126	9.2
267.09161	3.7
269.10712	5.3
269.13849	5.7
273.18472	49.5
273.21191	4.2
285.10156	6.5
285.13480	5.2
291.19559	34.6
301.29178	2.5
347.22192	8.4
365.10739	2.7
365.15778	5.8
365.23242	95.7
365.33331	16.7
366.16284	3.9
366.23270	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	365.2306
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
54.38511	0.9
55.01870	1.9
55.05503	3.1
56.96575	1.7
57.03436	2.7
67.05499	4.7
69.07063	2.6
71.04992	1.8
71.21143	1.6
71.21455	1.3
79.05485	5.7
81.03422	2.0
81.07076	10.7
82.00301	1.2
83.04980	2.8
83.08619	2.4
91.05490	3.9
93.07044	4.4
94.53743	1.1
95.01113	1.4
95.04971	3.2
95.08618	2.7
97.02927	1.1
97.06548	1.8
97.10175	1.0
99.87608	1.1
105.07021	3.5
107.04977	1.6
107.08609	3.8
109.06544	2.6
109.10189	3.4
111.04445	2.7
117.05420	1.3
117.07041	1.2
119.08593	3.2
121.02647	2.5
123.08068	1.5
129.07007	1.3
130.50668	1.0
133.10117	5.2
135.08090	2.2
145.10114	1.6
147.08109	1.8
151.11211	2.4
163.11205	1.7
164.08073	2.3
177.08899	1.5
179.42894	1.2
185.96696	1.2
191.10556	1.2
193.08209	1.3
200.23160	1.1
205.08366	65.0
206.08846	1.4
207.09927	3.4
221.11456	5.8
223.09546	1.4
246.10997	2.1
249.11050	1.4
253.14413	3.0
259.95749	1.1
263.12418	2.4
273.18552	5.9
277.14136	1.8
279.12024	3.1
284.12827	2.0
289.17871	1.8
291.19604	8.1
295.15189	1.2
319.18842	2.5
331.18185	1.1
347.18478	2.0
365.19275	58.1
365.23080	100.0
366.19647	3.6
366.23505	3.3
386.42941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01868	15.5
55.05515	46.5
56.96570	38.5
57.03428	19.3
61.02924	9.9
63.21110	4.2
67.05507	74.3
68.86292	4.5
68.89455	4.9
69.03429	12.3
69.07077	27.0
71.04967	4.4
71.59003	5.8
79.05494	55.3
81.03417	21.5
81.07058	72.9
83.04984	10.6
83.08625	22.9
84.08149	5.4
85.02908	5.5
91.05486	50.3
93.07053	57.4
93.90120	4.7
95.04986	28.6
95.08617	29.5
97.02902	14.0
97.06532	8.8
97.10191	12.8
98.97584	5.8
105.07040	36.2
107.04962	14.7
107.08605	44.9
109.02897	7.9
109.06541	14.4
109.10157	32.3
111.08067	12.0
117.07018	19.2
119.08609	31.1
121.06533	15.5
121.10151	23.6
123.04451	5.3
123.08067	12.0
125.09618	14.4
129.06995	8.4
131.08588	20.5
133.06508	6.8
133.10147	46.9
135.08063	14.6
135.11679	13.5
136.11269	5.8
137.09619	15.5
143.08551	7.5
145.10135	15.3
147.08061	14.9
147.11688	10.0
149.01219	7.3
149.09608	10.1
149.13300	5.6
151.11200	17.9
155.08643	4.2
159.11664	8.8
161.09619	13.2
163.11189	8.3
165.09099	11.5
171.11696	7.6
173.13295	5.0
187.11218	4.9
189.04427	7.4
189.11276	8.9
193.12257	10.5
199.06281	9.9
203.05740	7.5
211.06424	7.9
217.07506	24.8
218.91646	4.8
223.13319	21.0
229.07541	9.2
237.08084	4.6
237.14903	11.6
243.08986	9.6
245.19095	7.1
253.14412	13.8
255.09055	57.2
263.20270	5.8
267.09091	29.3
273.10153	62.6
273.18488	43.0
278.10754	15.6
284.12750	36.2
284.62921	5.5
285.10126	58.0
288.19656	4.9
291.19537	54.8
292.19916	4.7
296.11765	12.8
303.11115	9.9
308.11545	10.0
319.14352	5.5
334.32346	4.4
347.22525	4.8
348.21603	6.9
365.15622	26.9
365.23193	100.0
365.65625	13.0
366.22787	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06814	1.0
51.10268	0.9
52.00338	0.9
53.03939	4.7
53.46361	0.9
55.01876	16.1
55.05259	1.5
55.05513	20.1
57.03440	14.0
57.07067	1.2
59.04999	1.5
61.02919	1.3
65.03929	1.8
67.05508	38.5
69.03424	3.3
69.07065	7.7
70.26761	1.0
70.75999	2.9
71.04980	4.3
73.02917	1.5
75.45856	1.0
79.05500	46.9
79.55663	1.1
80.05821	1.5
81.03420	6.8
81.07062	100.0
82.07384	1.0
83.04987	27.6
83.08621	9.1
85.02922	14.4
85.06535	2.3
91.03983	1.9
91.05484	28.0
93.06470	1.8
93.07050	33.9
94.04200	1.0
95.04977	13.8
95.08608	15.4
97.02895	2.0
97.06554	6.1
97.10176	9.2
99.04475	6.6
99.08102	1.7
105.07038	19.2
107.04977	9.6
107.08602	16.4
109.06529	44.1
109.10154	12.9
111.04448	39.5
111.08081	11.0
111.95544	1.1
115.05433	2.0
117.07034	12.8
118.52420	1.1
119.04939	1.5
119.08587	32.0
121.06516	10.7
121.10146	16.4
123.08076	13.6
125.05992	2.9
125.08865	1.0
125.09649	8.4
128.06212	2.2
129.05536	2.1
129.07027	6.6
131.08572	12.4
133.06493	3.1
133.10112	7.5
135.08072	7.3
135.11705	10.6
137.09624	7.4
143.08525	4.8
145.06511	2.0
145.10133	22.9
145.41336	1.0
147.08058	16.1
147.11662	4.3
149.09586	6.7
151.11176	1.1
153.12753	11.6
155.08612	2.5
157.10094	5.1
157.67084	1.1
159.08078	1.9
159.11664	4.7
161.09615	7.1
161.13242	1.7
163.11205	19.3
165.09137	9.7
171.11723	3.0
173.09637	4.2
173.11815	1.2
175.11203	3.0
181.12238	14.6
183.11630	1.5
185.09697	1.0
185.13240	2.4
189.11258	6.4
191.10706	9.4
193.12297	2.1
209.11746	2.8
213.12830	1.5
215.11311	1.1
223.13231	5.2
227.12755	7.8
227.17886	2.2
229.14427	1.6
245.18872	2.3
249.14943	6.0
255.17450	3.4
269.12375	2.4
273.18515	42.9
283.15567	1.4
291.19559	87.2
292.19760	2.0
321.16638	1.3
347.22043	3.9
365.10724	1.4
365.19241	8.2
365.23276	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01862	7.4
55.05510	21.7
56.96571	11.7
57.03439	9.6
57.07067	1.1
57.56321	0.9
59.32979	1.0
61.02917	4.2
65.03934	1.9
67.05177	1.3
67.05508	26.1
69.03438	9.7
69.07072	32.2
69.99238	3.6
69.99642	1.8
70.06600	2.1
71.04960	1.4
72.03503	0.9
73.02901	1.5
73.27333	0.9
79.05067	1.4
79.05495	24.6
81.03411	7.7
81.07059	35.1
83.04974	5.2
83.08614	11.6
85.02899	4.0
85.06565	1.3
90.60291	1.1
91.03941	2.3
91.05479	17.2
93.07053	18.1
95.04973	11.6
95.08607	13.9
97.02893	13.7
97.06514	4.0
97.10193	9.9
98.21454	2.1
99.08009	0.9
105.07039	12.9
107.04940	6.6
107.08587	13.9
109.02892	1.7
109.06522	19.2
109.10146	10.1
111.04425	1.1
111.08081	4.0
114.82581	1.0
116.56409	1.1
117.07002	7.4
119.08571	12.0
121.06502	3.6
121.10147	5.3
123.04423	1.8
123.08071	4.4
123.11676	1.2
125.05986	1.2
125.09600	9.1
127.03916	1.7
129.07027	2.7
131.08574	6.8
131.09384	1.0
133.06439	2.8
133.10121	6.3
135.08054	4.6
135.11708	4.4
137.09604	3.1
143.08531	3.6
145.10114	5.7
147.04390	1.7
147.08043	4.9
147.11659	4.0
149.09616	3.4
149.13266	2.6
151.07407	1.3
151.11250	1.2
153.01804	1.6
153.09154	1.3
157.10158	2.6
159.08054	1.8
159.11655	2.5
161.09616	4.5
163.11168	3.1
164.25822	1.2
165.09016	1.4
166.91029	1.1
171.11655	1.5
173.11754	1.5
175.11168	3.8
177.12756	4.0
183.10184	1.1
185.13394	1.5
189.04430	1.4
189.11220	5.4
189.12708	1.6
191.10634	1.1
193.12260	2.7
195.10014	1.5
195.13800	3.0
199.06383	2.3
203.14349	1.3
205.08427	2.8
205.12212	2.8
209.11421	2.7
217.07458	3.4
222.00713	1.4
223.13304	19.0
227.12755	3.5
227.18002	2.2
229.07306	1.5
231.08914	1.7
237.10910	2.1
243.08925	2.1
245.18958	3.7
249.14758	1.4
251.09569	2.1
255.09009	3.9
255.17531	1.7
263.20074	2.6
267.08948	2.1
269.10519	10.7
271.13809	1.3
273.10110	4.4
273.18521	18.8
277.90448	1.3
278.10443	1.2
284.13571	3.1
285.10074	6.6
285.12891	1.3
287.11642	9.3
291.19556	66.0
292.12137	2.4
292.19894	1.2
318.32919	1.2
333.16864	2.4
347.18665	1.2
347.22302	4.5
365.19257	100.0
365.23337	49.2
366.19913	5.2
383.17480	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03933	1.4
54.89793	0.7
55.01873	6.3
55.05272	1.6
55.05515	25.8
57.03444	9.6
59.04989	1.2
65.03925	0.9
67.05508	29.0
69.03439	12.6
69.07071	38.9
70.99020	2.0
71.04987	2.3
73.35847	0.8
75.31608	0.7
78.07967	0.7
79.05494	25.1
81.03431	5.4
81.07059	21.1
83.04998	4.3
83.08631	9.4
85.02907	0.9
85.06540	1.5
91.05482	11.9
93.07043	16.2
95.01352	0.9
95.04981	8.5
95.08608	11.6
97.02901	16.5
97.06504	3.7
97.10174	15.3
105.03413	0.8
105.07032	11.2
107.04945	7.0
107.08595	12.2
109.06502	2.5
109.10160	10.2
111.04478	0.9
111.08088	2.7
115.05418	1.2
116.27345	0.8
117.07021	6.3
119.08585	10.4
121.06503	2.7
121.10160	3.6
123.04399	1.0
123.08049	4.5
123.11686	0.9
125.09639	13.2
129.05403	1.0
129.07002	2.7
131.08563	7.7
133.06502	2.1
133.10126	5.6
135.08047	4.2
135.11697	2.1
137.09631	2.9
143.08524	2.9
145.10120	3.6
147.08083	3.9
147.11691	2.2
149.09598	1.2
149.13274	3.0
153.09082	1.1
157.10138	2.4
159.11714	3.5
161.09619	2.1
161.13039	0.8
163.11198	2.2
165.09161	3.1
169.10136	0.8
171.10223	1.4
173.13216	0.8
175.11165	1.5
177.12764	2.0
179.10728	0.9
189.11295	8.3
195.13824	1.7
205.12251	3.1
217.12227	0.7
223.13298	28.9
223.15443	1.8
227.12813	2.2
227.17972	1.3
245.19028	2.2
261.49063	0.9
273.18500	12.8
291.19547	100.0
292.19772	4.0
306.92505	0.8
313.98651	0.8
347.22101	1.3
365.23187	71.9
366.23349	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.01871	5.1
55.05512	15.6
56.96564	12.2
57.03436	8.8
58.06600	3.6
58.30238	2.0
58.30568	1.9
62.11103	2.2
64.01649	2.1
67.05511	22.1
69.03423	7.5
69.07078	15.1
70.06087	9.8
70.06528	3.6
71.08602	2.4
72.99545	2.4
79.05505	24.4
81.03410	8.1
81.07066	34.4
83.04980	9.9
83.08616	6.1
84.08143	6.2
85.02908	6.9
91.05492	17.0
93.07048	20.8
93.26299	2.6
95.04975	11.1
95.05480	2.0
95.08595	11.8
97.02892	3.5
97.06550	4.4
97.10165	6.1
98.21414	2.9
98.97594	3.9
99.04488	2.2
105.07034	12.3
107.04868	8.7
107.08609	14.2
109.02862	2.8
109.06544	12.8
109.10153	7.0
111.04449	5.0
111.08112	2.6
112.07604	3.9
116.98602	2.1
117.07018	6.5
119.08568	12.8
121.06506	15.0
121.10133	7.7
123.08057	4.9
125.09625	7.0
129.07031	3.3
131.08594	8.3
133.06487	2.8
133.10112	8.3
135.08060	5.3
135.11678	5.4
137.05830	3.8
137.09612	2.6
143.08578	3.9
145.10153	5.3
147.08076	5.5
147.11656	3.4
149.05753	4.4
149.09741	4.3
150.06502	6.4
151.11133	2.2
157.10124	4.1
159.11581	2.1
161.09665	3.9
163.11136	5.5
165.09055	3.6
179.06786	9.8
179.10669	2.5
181.12148	2.5
181.73320	2.1
189.11266	5.2
191.10463	4.5
193.12209	8.3
195.06960	2.0
203.05443	2.6
205.08334	13.8
217.07480	3.5
219.09962	4.2
221.11505	37.2
222.12274	6.9
223.13281	7.4
233.11559	6.1
251.12431	2.7
254.00803	2.3
255.09007	11.7
263.12491	15.1
267.09024	4.4
273.10153	14.4
273.18625	17.1
284.12805	10.1
284.48364	2.5
285.10141	8.9
289.17935	9.2
291.19562	37.2
319.15121	15.5
321.17355	10.2
331.18759	10.2
344.18893	5.3
347.18234	7.3
347.22137	4.1
348.18909	5.1
365.10202	5.2
365.15268	8.0
365.19244	41.1
365.23077	100.0
366.22919	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	365.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01860	3.7
55.05256	1.0
55.05513	10.9
56.96569	5.5
57.03439	6.6
57.07074	1.0
59.05003	1.0
61.02911	2.6
61.29628	0.9
65.63245	0.8
67.05167	1.6
67.05506	18.6
69.03429	7.5
69.06719	1.6
69.07069	22.5
70.06831	2.8
70.07244	1.4
71.04990	1.1
73.02910	1.7
79.05493	15.9
81.03429	5.3
81.07056	19.7
83.04982	3.2
83.08623	7.4
85.02905	3.3
85.06544	1.6
90.78343	0.9
91.03951	2.3
91.05483	10.6
93.07045	13.1
95.04964	6.3
95.08620	7.8
97.02887	7.9
97.06522	2.6
97.10176	6.3
98.31325	0.9
105.07030	8.3
107.04945	5.0
107.08589	8.6
109.06525	8.7
109.10154	6.5
111.08113	1.2
117.07018	3.7
119.08575	8.4
121.06477	2.3
121.10148	3.2
123.08055	3.7
125.09619	7.5
126.71572	0.9
129.06973	2.4
131.08571	4.2
133.03499	1.3
133.06451	2.2
133.10127	5.2
135.08051	2.9
135.11691	3.9
137.05748	2.7
137.09662	2.3
137.13316	0.9
139.07495	1.0
143.08565	1.0
145.10097	4.2
147.08043	3.0
147.11688	2.0
149.09566	2.5
149.13255	2.0
151.11165	1.2
153.05563	0.9
157.10103	1.8
159.08121	0.9
159.11674	2.1
161.09613	2.8
163.11145	1.3
165.05251	1.0
165.09067	1.7
171.11716	1.6
175.04501	1.3
175.09743	0.8
175.11246	2.5
175.14806	0.9
177.00740	1.1
177.12900	1.2
179.10825	0.8
189.11292	4.6
189.12729	1.2
193.12206	2.9
195.09967	2.2
195.13737	1.2
205.08353	19.8
205.12360	1.1
209.11562	2.9
213.07980	1.1
217.07492	2.0
223.13277	11.2
223.55132	0.9
227.12802	1.3
227.18008	1.0
229.07503	1.4
231.08984	2.4
237.10970	2.4
243.09198	1.1
245.19061	2.4
249.14931	1.1
255.08836	1.5
255.11029	1.4
255.17508	1.1
259.08621	1.4
263.12561	9.7
263.20068	1.3
267.09039	2.1
269.10281	5.1
273.10156	2.7
273.18478	11.5
284.13046	1.7
285.10083	4.8
287.11682	3.2
291.19537	45.3
292.19806	1.5
333.16904	1.4
347.18332	2.0
347.22217	2.9
365.19299	100.0
365.23352	30.9
365.65851	0.8
366.19730	3.3
372.42950	0.9
383.17410	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90368	1.2
55.01149	1.4
57.03444	2.1
67.05479	3.1
69.03430	1.6
69.07087	1.6
70.06596	7.2
70.97262	1.6
70.97582	2.5
72.08158	1.7
76.15520	1.2
79.05502	2.8
81.03436	1.7
81.07062	3.7
83.04990	3.7
84.32672	1.2
85.02901	5.3
85.06561	1.6
91.05495	3.8
93.07059	2.9
95.06088	2.7
95.08613	2.5
97.02916	2.0
105.07042	2.9
107.08617	2.9
109.02877	1.7
109.10188	2.0
113.89124	1.4
116.98618	2.1
120.08031	2.0
121.10203	2.4
127.03973	2.2
133.10129	1.6
135.08089	1.8
136.07547	1.8
139.03799	1.6
140.10686	2.3
145.10075	1.7
149.13341	1.6
161.06001	3.1
162.05508	1.8
184.89206	1.5
185.04126	7.3
197.12801	1.8
203.03165	100.0
203.05110	3.8
204.03598	1.8
207.07719	1.9
210.08818	2.2
217.09871	2.2
227.08105	2.0
244.05840	1.8
245.09203	5.5
259.10721	1.8
260.18332	1.3
263.10217	5.7
287.10257	3.9
294.21814	4.9
305.11304	10.2
323.12460	3.2
333.10721	2.2
365.08511	50.0
365.13553	17.7
365.20837	3.3
366.10025	1.8
387.49600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36670	0.4
60.79504	0.3
68.73467	0.3
70.16746	0.3
70.74199	1.3
88.66536	0.4
96.93765	0.4
129.66385	0.4
185.04243	14.3
203.05290	34.8
221.06471	0.4
245.05109	0.9
310.96460	0.4
365.10583	100.0
365.87164	0.4
366.10843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.6
54.19003	3.4
54.59742	3.3
55.01874	8.0
55.05514	26.3
56.96568	40.9
57.03434	12.2
60.02489	3.2
61.02922	5.4
67.05508	30.9
69.03432	13.4
69.07074	31.7
70.19818	5.8
70.20228	12.0
73.02927	5.3
79.05502	28.9
81.03428	10.1
81.07066	39.8
83.04966	6.3
83.08615	10.8
83.93800	3.6
85.02910	8.5
91.05495	27.8
93.07044	23.4
95.04976	13.5
95.08613	14.5
97.02896	11.8
97.10184	8.7
105.07071	18.6
107.04971	9.2
107.08593	20.2
109.02890	4.7
109.06538	11.2
109.10174	14.6
109.75783	3.5
111.08057	5.6
116.98606	3.7
117.07050	6.0
119.08615	12.8
121.06535	9.6
121.10148	16.4
123.08063	9.7
125.09636	11.0
127.03920	4.0
129.07011	5.0
131.00113	3.5
131.08600	11.6
133.06496	5.7
133.10133	11.9
135.08107	6.6
135.11726	5.9
137.06000	4.6
145.01729	3.3
145.10159	9.8
146.99667	4.2
147.08054	7.4
147.11682	7.5
149.09645	4.1
153.28372	3.9
157.10176	4.2
159.11752	4.8
161.09659	5.7
163.11263	5.4
171.11702	3.3
189.11259	6.8
193.12262	8.6
199.06415	7.7
211.06477	4.8
213.16298	4.4
217.07524	15.8
223.13374	12.4
229.07416	6.4
229.14436	4.2
251.09465	4.3
255.09021	15.2
263.20313	3.8
267.08908	6.5
269.10614	49.4
273.10083	16.1
273.18484	16.4
278.10788	4.7
285.10144	15.1
287.11655	23.4
291.19598	56.5
292.12320	11.7
322.15198	4.2
365.17166	100.0
365.23334	44.0
383.17474	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	363.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87718	5.5
53.03913	7.8
53.56860	6.0
55.01861	6.6
55.05498	23.8
56.96558	8.0
57.07080	10.0
60.05647	5.9
65.77090	4.9
67.05497	40.8
69.03413	15.3
69.07063	48.5
69.40516	48.5
70.06559	7.2
71.04993	9.2
72.04522	6.5
72.08124	5.1
78.49949	5.1
79.05483	24.5
81.03419	16.0
81.07060	94.5
83.08609	23.6
85.02901	14.2
85.06542	11.2
89.03909	16.2
91.05463	20.1
93.07054	27.0
94.07368	6.9
95.04964	9.4
95.08604	75.1
97.02890	7.8
97.06518	9.3
97.10187	6.1
99.04460	8.0
99.08075	8.4
103.05462	5.7
105.07026	18.9
107.04962	6.6
107.08590	39.3
109.02867	17.1
109.06526	9.0
109.10159	49.4
111.08068	6.3
111.11709	7.4
114.10241	5.7
115.05451	5.7
117.03376	17.3
117.07077	8.0
119.08599	11.4
121.06479	9.2
121.10140	19.3
123.04385	9.7
123.11726	27.3
125.09655	5.2
127.03894	9.4
131.08537	11.0
133.10118	7.1
135.08061	12.7
135.11665	22.0
137.05966	16.4
145.02831	26.3
145.10115	8.3
147.11662	5.9
149.13269	29.3
152.04726	5.6
153.05421	14.1
155.07094	5.5
157.10162	6.7
159.08090	5.3
163.14772	12.0
167.03419	13.7
167.07054	76.6
168.03621	8.6
168.07422	9.0
168.38272	5.8
169.03926	10.7
173.13188	5.9
177.05449	62.0
178.05899	14.1
197.01190	6.0
202.10774	12.6
233.03430	5.1
272.64664	10.0
273.14801	9.0
273.25800	9.3
281.65302	6.8
291.26788	15.3
309.27866	20.7
316.04785	6.9
318.10907	11.9
331.07129	16.6
336.18085	9.5
348.07446	14.6
363.05640	8.7
363.09784	100.0
363.17661	26.2
363.21802	11.8
364.15891	6.4
364.25482	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	363.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	9.5
55.05504	15.7
56.96568	8.3
57.03421	6.4
57.07069	10.2
67.05507	22.5
69.03426	10.6
69.07065	44.9
70.06608	8.7
71.04981	7.3
71.14746	13.1
73.02886	5.9
79.05495	19.7
81.03416	8.1
81.07056	100.0
83.01333	7.2
83.04955	5.1
83.08616	16.7
85.06547	15.4
88.62746	4.6
90.05574	5.1
91.05487	16.8
93.07056	39.9
94.06566	6.0
94.69715	5.1
95.04955	11.4
95.08601	51.7
97.02886	6.5
97.06561	9.2
97.10176	9.3
98.97571	11.7
99.08105	12.9
103.05511	8.4
105.07056	18.1
107.08599	30.7
109.02894	9.2
109.06531	5.8
109.10149	34.5
111.08092	12.4
111.11735	10.5
119.08597	6.4
121.06512	32.5
121.10156	15.7
123.04450	7.1
123.11688	26.6
127.03887	5.1
133.04993	17.5
133.10179	6.0
135.11684	19.2
137.06007	17.4
137.13249	18.3
147.04411	10.3
147.11749	6.9
149.05978	10.2
149.13283	19.1
151.03938	5.9
153.05489	10.4
153.12743	19.5
155.14308	7.6
161.05969	6.0
163.07710	5.6
163.14813	6.6
165.12798	14.4
167.07089	22.7
177.05469	33.5
177.16354	5.6
181.05031	17.9
181.08588	79.3
182.05760	10.9
182.08983	8.8
183.06526	7.2
193.08499	5.4
197.08098	9.2
202.10693	5.2
209.07983	7.8
215.10065	4.8
216.04961	4.7
217.19469	5.6
220.11821	5.6
263.64188	6.8
272.14368	7.3
272.64737	15.6
273.13324	7.6
273.25729	9.5
278.43134	4.9
279.26706	8.2
281.65021	7.6
291.26859	19.4
309.27945	11.2
345.13406	7.4
348.07300	4.6
362.67844	15.4
363.09683	8.2
363.17978	10.0
364.15927	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	363.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96850	2.1
53.03936	6.3
55.01876	18.8
55.05517	39.3
56.96573	2.3
57.03439	21.5
59.04996	2.2
61.02926	4.1
65.03938	7.1
67.05171	2.9
67.05510	41.2
69.03433	7.3
69.07072	11.7
70.06594	3.4
70.26439	3.6
70.26796	10.1
71.04989	4.1
79.05500	54.8
81.03413	7.3
81.06574	4.8
81.07063	100.0
83.01363	2.6
83.04985	9.4
83.08623	12.1
85.02916	5.2
85.06558	2.4
91.05488	38.8
93.07063	25.4
95.04971	14.4
95.08625	16.8
97.02904	6.1
97.06547	2.7
97.10177	15.4
101.52431	2.1
105.07038	27.1
107.04961	32.2
107.08598	32.8
109.02890	20.1
109.06528	44.0
109.10180	13.9
111.08102	5.6
115.05455	5.1
117.07035	22.0
119.04937	4.3
119.08605	28.4
121.02892	6.4
121.06513	10.5
121.10175	6.6
123.04459	8.6
123.08060	9.7
123.11729	2.9
125.09641	12.4
128.06221	2.5
129.07033	6.6
131.08548	11.3
133.06493	5.3
133.10138	14.9
135.04425	2.4
135.08081	35.5
135.11688	5.3
137.09639	11.9
142.07790	2.9
143.08575	9.8
145.06506	11.7
145.10077	11.8
147.08078	6.7
147.11734	5.3
149.09651	5.6
151.07605	2.7
151.11232	4.0
153.09084	5.1
155.08583	2.3
157.10152	4.9
159.08098	13.4
159.11682	6.9
161.09619	17.8
163.07541	19.0
163.11189	5.4
165.09166	4.4
167.07051	30.9
168.07411	2.2
169.10179	3.4
171.08102	6.0
173.09647	8.5
173.13368	2.3
179.10689	21.9
185.09741	3.4
189.09166	10.7
189.11247	9.7
191.10703	4.4
201.12724	2.5
201.31044	2.2
207.10199	6.1
215.17981	4.1
225.11139	4.2
225.16475	5.9
237.22453	2.2
243.17442	19.3
253.15921	3.3
261.18539	17.9
271.16855	19.4
289.17987	62.9
290.18289	3.6
318.11096	8.1
348.07205	3.0
363.09711	3.5
363.17432	5.1
363.21664	70.6
364.22025	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	363.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	1.3
60.05651	23.1
70.06594	48.0
70.74649	1.7
71.04710	0.5
71.05001	4.4
71.24944	0.5
72.08156	4.6
73.47303	0.5
74.02431	0.9
76.03996	0.6
81.07037	1.2
85.02874	0.8
85.06533	1.6
85.07659	1.0
87.36481	0.5
88.07625	2.2
95.06078	2.3
97.06552	0.8
97.07634	0.6
98.06053	1.1
109.06528	0.7
112.08731	8.1
113.07164	1.3
114.05526	1.0
114.10275	1.9
115.08713	4.8
116.07098	21.8
128.07062	0.9
130.08800	1.2
130.09763	10.2
131.12880	0.9
138.06657	0.6
140.08319	0.5
148.03943	0.8
149.72902	0.5
157.10863	2.1
158.09254	11.0
160.09723	1.4
161.76889	0.5
174.07594	1.6
175.11914	100.0
176.12248	1.2
180.30107	0.5
180.83243	0.4
201.09851	5.4
212.12842	0.7
228.12160	0.9
230.14005	0.6
231.10872	1.4
233.12474	0.9
240.12402	0.7
258.13367	2.1
287.17026	3.1
289.18713	2.0
301.18655	0.7
304.13818	1.0
317.18274	2.7
345.17697	1.0
363.18750	64.2
364.19006	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43007	0.5
53.03937	0.8
54.35809	0.5
55.01860	1.0
56.05023	0.6
56.96562	5.2
57.03436	1.8
57.07074	0.8
58.06630	0.5
58.31218	0.6
60.04507	1.6
60.05651	27.0
60.13704	0.6
61.02934	0.9
67.05501	0.7
68.05029	0.7
69.03431	3.5
70.06593	69.9
71.01902	0.6
71.05000	6.4
71.06939	0.6
71.58064	0.9
72.08156	4.8
73.02910	1.8
74.02452	0.9
74.06105	0.6
76.04022	0.6
81.03417	2.9
81.07068	1.3
82.06583	0.9
83.01334	0.8
83.04992	0.7
84.04505	1.0
84.08133	2.9
84.96031	1.6
85.02912	8.4
85.06520	0.6
85.07662	1.0
86.06068	0.6
86.09721	0.7
88.03978	0.9
88.07630	1.8
88.70441	0.6
95.04975	10.2
95.06082	2.6
96.04500	0.8
97.02913	3.7
97.06557	1.2
97.07661	1.2
98.06067	3.1
98.97584	13.4
99.04426	1.5
100.07659	0.6
101.00909	0.6
101.02349	1.1
104.04929	0.7
107.04923	1.3
109.02864	1.3
109.06512	0.9
110.97575	1.9
111.04443	1.7
112.08727	10.3
113.07148	1.6
114.05534	2.6
114.10310	1.6
115.03925	0.9
115.08714	5.4
116.07097	21.8
116.98624	9.4
119.01869	0.9
119.04940	0.9
123.04436	24.9
124.04781	1.3
125.06023	1.0
126.05492	0.8
127.03901	1.9
128.07100	1.9
128.98633	4.0
129.01845	0.6
130.08650	6.4
130.09761	17.6
131.00221	0.7
131.01924	1.0
131.04958	0.7
131.12926	1.4
132.04459	36.7
133.04861	4.6
134.99672	5.5
135.04381	0.6
136.06137	0.8
137.02322	12.4
137.05969	0.9
138.05501	1.1
139.03897	2.2
141.06564	1.1
143.00198	1.1
143.01921	0.6
145.04947	1.9
146.99644	4.7
147.04384	1.3
148.03946	4.6
149.01163	0.9
152.05687	15.1
153.00664	0.7
153.04050	1.4
153.22118	0.8
155.08145	1.3
157.10832	2.1
158.09271	9.5
158.99640	3.8
159.07692	0.9
160.09682	1.2
161.01210	1.7
161.02907	2.5
162.99101	0.7
163.03960	1.0
164.03400	1.3
165.00722	1.5
167.07024	1.4
168.06538	2.0
170.99686	1.3
172.10835	4.3
173.09225	1.6
173.97183	1.0
174.07655	2.3
175.11909	100.0
176.12228	1.0
177.00708	6.3
177.04193	0.9
181.00307	0.6
182.89493	0.6
183.07729	3.1
189.00693	1.6
189.13467	16.9
191.02246	0.9
191.03903	1.0
193.00230	1.8
195.01680	1.2
196.06052	9.0
197.06445	0.7
200.04443	1.5
201.00784	1.5
201.04317	0.9
201.06049	0.7
201.10150	6.0
203.04031	0.8
207.01785	0.9
210.08929	0.6
210.99155	1.7
217.00313	0.7
219.01750	7.5
221.05061	0.8
226.07167	0.7
231.10889	2.4
233.12553	1.6
233.99319	1.7
234.98976	0.8
237.02779	11.3
253.07642	0.8
255.03818	1.4
258.13306	2.0
261.02896	1.7
269.05496	0.9
270.02905	2.1
273.08560	0.7
279.03955	1.6
280.07034	0.7
287.17282	1.3
288.03915	0.8
289.18866	0.8
301.18747	1.5
303.07236	0.8
312.03909	1.9
314.92416	0.6
317.18085	3.1
321.08337	3.8
330.05225	0.7
345.10583	0.9
345.17819	1.0
347.06357	0.6
363.14972	17.3
363.18756	61.6
364.15585	0.8
368.06436	0.7
382.04507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1803
Annotation	Humirianthol
Peak:m/z	Relative Intensity
55.01870	2.5
55.05499	3.0
55.51905	0.6
56.96572	0.6
57.03416	1.3
57.07049	0.7
65.03915	1.3
67.05504	6.9
69.03423	1.3
69.07057	2.8
71.04988	1.3
71.60304	0.9
79.05495	8.3
81.03407	1.3
81.07063	8.3
83.05022	0.8
83.08613	1.6
85.02890	1.7
90.04675	0.8
91.05482	8.8
93.03405	1.3
93.07053	3.7
95.04951	2.8
95.08609	4.0
97.06518	0.9
97.10139	1.2
99.18707	0.6
103.05457	3.0
105.07038	23.2
107.04965	10.7
107.08585	3.1
109.06499	1.8
109.10156	2.6
115.05466	5.1
117.07017	3.0
118.04153	1.5
119.04918	3.5
119.08590	3.4
121.02941	0.8
121.06512	1.3
121.10132	1.6
123.04437	5.3
123.08092	1.0
124.05226	1.7
125.05994	1.1
127.03989	0.8
128.06221	0.7
129.07008	1.3
131.04929	2.7
131.08540	2.7
133.02864	0.9
133.06500	22.9
133.10100	2.6
135.04398	1.5
135.08015	2.1
137.05983	1.9
137.09514	0.7
141.06978	1.3
143.04930	1.5
143.08527	1.0
145.06470	4.2
145.10114	1.6
146.03639	28.2
147.04417	18.1
147.08054	2.5
147.11710	1.1
149.09569	0.7
151.03868	0.9
151.11200	1.2
153.05431	2.2
157.06467	1.2
157.10123	0.9
159.04430	2.5
159.08040	1.8
160.05194	1.7
161.05977	12.9
161.07249	1.0
161.09663	1.0
161.48616	0.7
162.03099	0.7
163.03897	4.7
163.07582	1.1
163.11227	0.9
164.04758	1.4
164.55936	0.6
165.05655	0.8
165.06989	0.7
165.09087	0.7
167.07051	18.5
169.05090	1.0
169.06522	0.9
171.04439	0.7
172.05232	0.8
173.05995	3.1
174.03125	13.2
175.03938	4.7
175.07542	3.4
177.05457	2.9
179.07043	1.2
180.04175	0.7
181.04935	1.4
183.06537	7.2
187.07539	2.3
189.05479	8.7
189.09129	1.1
191.03441	1.1
191.07033	1.9
192.04176	28.3
193.04868	2.0
193.08592	2.4
195.06537	1.2
197.05984	1.3
199.07613	0.9
201.09171	0.9
203.07025	2.7
205.05013	2.0
205.08597	1.3
207.06538	100.0
208.06827	1.3
213.05423	0.8
214.06247	0.8
215.06999	2.1
217.08601	1.2
218.05733	0.8
219.06566	1.3
219.10184	0.9
220.07185	1.3
221.08159	1.6
227.07057	1.1
229.08682	0.9
233.08136	8.1
235.06081	2.0
247.09772	5.3
261.11206	2.9
261.18515	0.8
265.03452	1.1
267.13757	1.1
271.16849	0.8
285.14941	1.8
289.18039	2.0
295.13211	0.8
299.16638	0.8
303.15894	1.0
313.14343	2.2
317.17444	5.1
318.11050	5.0
327.15985	2.5
331.15411	14.8
332.15762	0.9
335.18762	0.8
345.16989	61.8
346.17401	2.0
363.18015	60.9
363.21582	2.6
364.18399	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45055	0.6
55.05500	1.2
56.96560	1.1
67.05494	1.2
69.07056	0.9
69.32047	1.0
69.32442	5.7
70.06577	2.0
72.08145	0.9
74.06068	1.5
79.05492	1.8
81.07062	2.4
85.02886	1.0
86.74638	0.6
91.05476	2.0
92.07108	2.5
93.07001	0.9
93.18951	0.6
95.08627	1.0
98.21558	0.8
98.97602	2.0
103.05471	5.0
107.04951	1.1
107.08598	1.0
109.06494	0.6
109.10163	1.5
112.08780	0.8
114.10300	4.0
115.05453	0.7
116.98653	1.3
117.07014	2.3
117.43546	0.6
121.06522	2.1
122.03645	2.0
123.08046	1.1
123.11687	1.5
131.04010	1.0
131.04932	12.6
131.08665	0.7
137.05984	37.8
138.06334	0.9
143.08549	0.9
145.06494	0.9
147.04350	0.6
149.05949	0.6
149.09578	0.6
151.07550	10.1
161.06075	0.8
162.06638	1.3
163.07549	45.5
164.07896	0.9
167.06984	1.7
171.08025	1.0
171.69356	0.5
173.82292	0.6
175.07529	3.5
176.11453	1.2
177.00760	1.0
177.09108	100.0
178.09450	1.1
182.11369	1.5
185.11949	3.8
185.62100	0.6
191.11964	0.8
195.10190	8.0
203.10692	1.6
221.11723	23.6
263.14087	1.8
272.14523	11.6
272.64725	2.0
281.15134	4.6
281.65042	1.6
292.65900	0.6
299.12619	1.4
308.25912	1.5
326.26944	2.2
344.12643	0.7
362.09439	1.0
362.17758	4.4
362.67963	2.1
363.12009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
55.05513	15.0
57.03432	1.9
57.07072	6.5
67.05509	52.2
69.03419	3.4
69.07062	7.2
70.06598	12.3
70.34862	6.2
71.04998	88.2
71.08623	8.3
72.08168	1.8
79.05492	9.0
79.94044	1.4
81.03437	1.6
81.07064	34.3
83.08632	11.4
85.02877	1.5
85.06533	2.3
86.06065	1.9
88.07630	9.9
88.29838	1.7
91.05507	8.0
93.07048	9.2
95.04979	2.7
95.08621	10.3
97.10166	16.5
99.08101	6.4
105.07066	3.5
107.04952	2.1
107.08601	6.5
109.10164	29.8
114.09159	6.3
117.07044	1.9
119.08562	4.5
121.06480	2.0
121.10159	2.1
123.08063	1.9
123.11721	13.0
125.09669	9.5
129.06932	2.0
132.10222	22.4
133.10101	4.1
135.08093	1.5
135.11664	4.0
137.09612	2.7
149.13324	2.2
151.11133	3.1
155.10710	7.1
155.14319	55.1
155.15564	3.2
156.14677	1.8
159.11737	1.9
161.13263	5.0
163.03972	2.3
167.07083	4.5
173.11742	67.5
176.12852	4.1
179.14320	2.1
189.11267	15.9
190.14305	2.1
194.13887	4.8
195.13826	2.1
227.16379	8.5
235.06047	2.4
241.19438	2.1
256.26392	7.0
274.27487	4.2
277.21600	15.4
295.22769	2.9
318.30087	2.0
345.13446	5.1
350.92844	1.8
362.32718	100.0
363.14474	5.2
363.21509	2.7
363.32993	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	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01858	2.1
56.96560	9.2
57.03416	2.3
60.05653	3.5
61.02907	2.3
64.72264	0.6
65.03944	0.7
67.05501	1.1
67.47221	0.6
69.03077	0.8
69.03424	8.1
70.06288	0.6
70.06591	6.8
71.04990	1.3
71.09665	1.6
72.08146	1.5
73.02915	1.6
74.97610	0.8
78.26661	0.7
79.05478	1.3
79.44398	0.6
81.03401	2.3
81.07036	1.2
82.17538	0.6
82.59574	0.6
83.04983	1.0
84.04477	0.8
84.08115	2.1
84.96016	3.4
85.02901	21.3
86.03580	5.6
86.09697	1.8
86.99115	0.6
87.04485	1.6
88.04009	0.8
89.60385	0.6
90.65104	0.6
91.03915	0.8
91.05466	2.6
93.07037	1.1
94.06566	3.6
95.04951	2.0
95.76006	0.7
96.04453	1.3
97.02898	6.8
97.06528	0.9
98.97582	19.5
99.04449	2.1
107.04932	1.1
108.08113	4.8
109.02869	3.1
109.06530	0.7
110.06042	3.3
110.97549	3.6
111.04431	1.0
112.04000	0.8
112.07584	1.6
112.99140	0.9
116.07083	2.4
116.98623	13.8
118.06512	1.0
119.01861	1.0
119.04935	1.9
119.07299	1.8
120.08078	0.7
121.02858	0.7
122.06036	18.5
123.04425	7.7
124.07608	1.2
127.03933	5.8
128.98607	9.2
130.09715	0.9
131.00192	1.9
132.04453	5.4
133.04750	1.1
134.99661	7.8
135.04373	1.1
136.07578	13.7
137.05960	5.6
138.05455	0.9
138.09137	1.7
139.03934	1.6
139.07596	1.2
140.07069	21.4
141.02209	1.5
141.10287	0.8
143.00114	1.6
144.98061	0.7
145.04956	5.0
146.99631	9.9
147.04375	1.0
148.03958	2.1
149.01225	2.2
149.04341	1.3
152.06984	0.8
152.98589	1.3
153.05417	1.2
154.08624	14.5
156.06497	2.1
158.01231	0.8
158.08029	0.9
158.99646	3.5
159.03334	5.6
161.01176	2.9
162.99129	1.2
164.07079	4.9
165.00717	2.1
165.05498	5.4
170.99693	4.5
175.11935	6.7
177.00713	8.3
177.04297	3.8
182.08122	21.9
183.03194	0.9
183.06529	2.3
183.08124	1.0
189.00708	4.3
191.03822	0.9
195.01790	1.3
200.09181	100.0
201.00793	1.9
201.04283	2.4
201.09575	2.6
201.12354	0.9
207.01686	1.0
213.04352	0.8
219.01762	12.6
219.05362	1.6
236.07837	0.8
237.02808	36.8
242.03394	1.2
243.05417	1.8
251.04404	2.4
253.10522	1.3
255.03754	3.2
260.04349	1.7
261.06516	0.6
269.05508	1.4
278.11374	3.9
303.07480	15.4
304.09122	1.7
316.11844	2.2
321.08566	56.3
344.10004	4.6
344.13455	1.6
345.10339	1.0
362.14731	4.1
363.09576	9.3
363.13885	1.0
363.18637	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	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01870	3.9
55.05495	2.2
56.96551	4.9
57.03436	5.2
59.04940	2.6
61.02915	7.3
66.52414	2.4
67.05517	4.4
69.03426	18.5
69.07065	3.8
70.06589	12.9
71.04984	5.8
71.50961	2.3
72.08163	3.8
73.02908	3.0
74.37823	1.9
75.08646	1.9
79.05489	2.6
81.03424	11.3
81.07037	4.8
83.04916	2.3
84.04509	3.9
84.08150	3.1
85.02906	51.3
86.09706	14.0
91.03963	3.2
91.05461	7.4
91.05999	2.0
93.07021	2.9
95.04980	3.2
95.08617	3.7
97.02883	18.7
98.97572	5.7
99.04435	6.6
105.07026	6.0
107.04951	4.7
107.08578	2.7
109.02880	9.0
111.04457	2.2
112.03944	2.7
114.99570	2.6
116.07092	2.5
116.98588	6.0
119.04931	2.1
121.06519	2.8
123.04430	100.0
124.07578	3.2
127.03925	17.2
133.06494	6.1
136.07552	5.1
137.02303	8.4
137.05995	27.4
138.09094	2.9
139.03867	2.3
145.04948	14.2
147.04407	4.2
151.03879	5.1
154.08655	2.8
158.99721	2.6
163.03859	3.6
163.06052	3.1
165.05482	82.1
165.06879	5.1
165.09123	8.9
166.05923	3.5
167.07069	10.9
172.09666	16.9
175.11932	3.5
177.00873	2.6
180.08704	8.7
183.06580	18.9
183.10179	10.0
192.13829	2.3
199.35649	2.2
200.09164	9.3
200.12802	3.8
207.08044	4.8
211.13312	3.6
218.10123	3.7
219.01683	4.6
235.07536	7.9
237.02818	6.4
239.06970	3.9
253.08572	8.0
254.13876	4.1
270.11221	4.0
316.11859	6.5
329.49228	2.0
345.10428	2.0
362.11862	10.2
363.12024	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	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
56.96558	2.9
57.03424	1.3
57.07063	0.9
60.05649	2.0
60.09424	0.7
61.02920	1.4
67.05510	0.8
68.99805	0.7
69.03442	5.0
69.07043	0.9
70.06598	5.3
70.38581	1.2
72.08152	0.8
73.02911	1.3
81.03409	2.1
81.07056	2.3
84.08134	0.9
85.02902	9.9
85.06516	0.7
88.89696	0.8
91.05478	1.1
95.04979	1.7
97.02900	5.8
98.97556	2.8
109.02863	2.2
109.06510	3.2
116.07093	2.0
116.98648	2.3
117.06965	0.8
119.07296	0.8
123.04420	19.8
127.03927	3.7
132.04466	7.8
134.99652	1.7
137.02359	9.1
137.05975	55.7
138.05457	1.1
145.04967	2.7
148.03886	1.4
150.99100	0.9
158.99641	1.1
161.01149	0.9
163.03975	1.0
165.05476	100.0
166.05946	1.2
168.06618	1.3
170.99762	0.8
174.00804	0.8
175.11882	7.5
177.00703	0.9
180.08669	1.2
182.08212	0.8
183.06528	63.0
184.06900	1.1
189.00748	1.0
192.01837	1.3
200.09196	1.0
208.05981	1.2
211.07469	0.8
219.01730	1.2
229.00180	1.2
233.98755	0.7
235.07492	1.2
237.02811	3.0
253.08505	0.9
263.04413	0.8
297.75653	0.8
303.05472	0.8
316.11990	1.3
345.10474	0.8
363.18665	6.1
373.14383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72749	0.9
55.01859	1.3
59.44878	0.9
60.04516	3.1
69.03438	1.4
70.06590	2.4
70.20545	1.9
70.20940	1.8
79.05490	1.4
81.03422	1.7
81.07069	1.6
85.02898	4.0
91.05479	1.2
91.25542	1.0
95.08598	1.2
98.97580	1.9
116.22947	1.0
116.98639	1.4
123.08028	1.0
124.07570	2.0
126.09116	1.4
128.98775	0.9
137.02328	1.7
137.05988	2.0
138.09138	1.6
147.04370	1.1
155.08568	1.5
158.99632	1.2
165.06958	5.1
165.09109	2.2
167.07083	1.4
167.08542	1.3
169.06496	1.8
177.00737	1.6
178.07750	2.1
179.08548	8.3
181.06502	1.8
183.08086	22.5
187.07538	1.0
189.06993	4.0
190.07715	1.1
191.08466	1.2
193.06506	3.8
193.12364	0.9
194.07266	2.1
195.08119	1.6
196.08914	0.9
197.06003	1.1
200.12834	13.2
206.07076	1.0
207.08058	60.9
208.08394	1.7
209.09703	2.1
210.06712	1.5
211.07574	13.5
217.06499	7.4
219.01753	1.4
219.08046	1.3
221.05974	9.2
223.07568	9.6
225.09091	2.0
231.89459	0.9
235.07547	100.0
236.07932	2.8
237.02888	1.6
237.09102	2.8
239.07039	35.1
248.67653	0.9
253.08617	85.2
254.13837	1.0
257.08078	4.6
263.06992	6.8
270.11298	2.1
271.09552	1.4
281.08072	20.3
298.10852	2.5
299.09140	34.8
316.11801	25.4
326.06805	1.0
344.11212	2.2
344.15509	1.3
345.09729	8.8
348.38654	1.0
362.12329	88.6
363.12628	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01860	1.9
55.05510	1.5
55.67802	1.2
56.96559	1.9
57.03437	2.0
61.02932	1.6
65.58817	1.3
67.05495	3.4
69.03443	6.7
69.07076	1.3
70.06587	3.6
71.04993	2.1
71.60276	1.2
79.05507	2.9
81.03442	2.8
81.07042	1.7
84.08142	2.0
85.02911	16.8
86.09695	3.1
87.04461	1.5
91.05499	6.6
93.07063	1.8
94.04175	3.0
95.04955	3.2
95.08616	1.3
97.02886	6.3
98.97589	2.7
105.93378	1.1
107.04967	12.4
109.02875	2.5
109.10137	3.5
116.98608	3.3
118.06546	7.6
119.04951	6.8
119.07331	47.2
119.08594	2.0
120.05737	2.7
120.08124	1.4
121.06459	1.7
122.02733	2.0
123.04419	5.3
123.08062	1.8
124.07552	1.1
127.03899	4.8
131.04932	1.9
131.08536	1.3
132.04410	3.6
132.78987	1.2
134.06006	4.9
135.04417	2.2
136.05180	2.0
137.05978	5.1
137.09624	4.9
138.09152	1.4
139.03883	1.2
145.04987	3.8
147.04405	2.0
147.08063	4.9
151.03831	1.3
163.03868	2.8
164.07843	1.6
165.05505	2.7
165.09132	100.0
167.07066	3.1
172.09700	2.7
175.11864	1.2
179.08469	1.8
180.08792	1.6
183.08095	2.2
183.10181	6.6
189.09212	1.6
193.06528	1.1
200.12817	4.6
206.04385	1.5
207.08078	5.5
207.09859	1.1
208.27377	1.1
211.07555	4.0
211.96165	1.1
223.07469	1.7
224.06346	1.5
224.08351	3.6
225.09068	5.7
227.02344	1.5
231.01938	1.4
235.07526	9.8
237.02818	1.4
237.09096	3.4
239.07104	5.1
241.08650	6.0
243.06613	4.0
252.10258	1.4
253.08575	18.3
254.11794	5.7
255.10167	2.8
257.08096	10.2
266.17941	1.1
270.11258	15.4
281.08279	5.3
283.09607	3.4
291.12384	1.5
298.10922	1.7
299.09210	15.4
300.12405	1.9
301.11151	1.3
316.11813	53.3
317.09882	1.5
345.09668	15.7
362.12381	44.0
363.12616	1.8
371.22644	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.0
56.96567	3.7
67.05508	30.6
69.03398	4.7
69.07076	24.8
70.83009	7.5
73.40498	3.3
75.24667	3.5
79.05492	15.4
81.07064	100.0
83.04949	4.2
83.08627	9.7
85.02870	3.5
91.05478	17.1
93.07048	37.2
95.04970	5.9
95.08617	66.7
97.06506	5.6
97.10130	4.2
105.07033	14.7
107.04957	4.8
107.08596	31.6
109.02860	3.9
109.10159	45.6
119.08606	12.0
121.10156	19.8
123.11703	25.5
125.09625	5.5
129.07047	4.2
131.08553	6.2
133.10132	9.3
135.11699	15.9
137.05960	5.9
137.13264	6.8
139.03914	7.0
139.11150	3.8
145.02800	7.6
145.10144	5.5
147.11652	8.7
149.13261	21.5
151.03990	5.2
153.01828	7.6
157.06509	3.6
161.13234	10.1
163.14795	7.3
167.07045	17.6
173.13237	7.2
173.66451	3.9
175.14777	4.9
177.05487	7.4
177.16374	4.3
181.04962	4.5
181.08676	6.5
189.09119	9.4
189.16273	4.4
203.06944	6.1
231.06529	10.9
249.07785	4.8
260.00024	4.3
275.05499	5.2
277.25357	6.2
287.05649	5.4
289.25381	9.1
300.02567	5.3
307.26318	11.9
332.46088	4.1
346.06805	22.2
361.09204	66.2
361.16672	4.6
362.09528	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	361.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.7
55.05520	14.0
56.96562	3.8
57.07068	8.7
67.05212	3.8
67.05513	36.9
69.03443	3.0
69.07061	29.4
70.06582	3.3
70.75700	6.2
70.76070	6.6
71.05012	3.3
72.95757	2.9
76.26079	3.2
79.05495	27.0
81.07059	100.0
81.35478	3.1
82.04135	2.8
83.05003	3.9
83.08633	13.8
84.73851	2.7
85.02889	8.1
85.06528	7.5
91.05488	27.8
93.07047	62.8
94.07383	2.9
95.04947	12.6
95.08608	72.9
97.06541	8.1
97.10155	10.1
98.43442	2.7
99.08066	3.6
103.05481	6.9
105.07043	28.0
107.04961	19.1
107.08596	36.6
109.02853	3.7
109.06516	8.6
109.09461	4.2
109.10168	57.6
111.08071	5.0
111.11723	5.9
115.05437	4.3
117.05615	3.1
117.07067	5.8
119.04939	6.6
119.08594	17.0
121.06510	17.3
121.10130	31.6
122.10474	3.0
123.04407	6.5
123.11703	33.1
124.05190	3.3
125.05993	4.5
125.09605	5.2
128.06244	9.3
129.07011	18.8
131.04930	9.1
131.08566	8.9
132.04433	3.6
133.06436	3.3
133.10138	9.2
135.04469	3.4
135.08041	5.3
135.11678	24.1
137.05995	16.0
137.13219	9.1
145.06494	4.8
146.07216	3.9
147.04424	6.0
147.11694	11.1
149.05934	4.4
149.13246	34.9
151.03922	7.1
151.07558	11.9
152.04691	3.9
153.05482	13.1
157.06512	17.0
158.06050	3.2
159.08086	3.3
159.11681	6.0
160.05254	3.6
161.05937	26.0
161.09627	6.4
161.13246	5.5
163.07501	14.7
163.14857	10.0
165.07010	6.7
165.09087	7.5
165.12726	3.4
166.06291	8.9
167.07068	59.0
167.08444	6.4
168.07365	4.7
174.06786	7.3
175.07530	6.8
175.14919	6.4
177.09103	9.6
177.16281	4.8
178.07782	3.5
179.07057	4.5
181.05005	4.1
181.06416	3.0
181.06744	3.3
181.08606	71.3
182.07314	4.8
189.09106	57.7
189.16412	3.3
190.93045	2.8
191.10370	2.7
191.17926	3.8
195.07979	6.5
197.09622	5.8
207.08160	5.5
207.10228	10.1
210.06693	5.6
211.07516	3.4
215.18010	5.0
221.05888	3.0
223.07480	9.1
224.08208	3.5
225.05460	4.7
225.09084	10.8
227.07018	6.6
235.17093	3.7
239.06889	3.2
240.07834	4.2
241.08478	3.6
251.07069	5.3
251.10483	5.6
253.08690	15.8
255.06444	4.2
255.10094	3.2
257.11713	7.9
263.23779	4.2
265.08676	3.2
268.07523	3.3
270.08548	4.7
271.13324	4.2
271.24197	6.5
272.06876	3.1
277.25314	7.4
279.10223	4.3
283.09750	5.3
283.13293	7.2
285.08252	4.2
285.11145	23.8
286.11450	4.1
289.25269	13.3
295.26364	8.4
299.12747	4.1
300.02698	4.0
307.26312	14.8
311.12668	6.9
314.78522	3.1
315.12021	21.0
317.13980	18.5
331.04605	4.7
343.15146	16.8
345.05960	4.6
346.06702	12.1
361.09232	66.2
361.15741	17.0
362.09552	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	361.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01868	4.6
55.05509	12.3
56.96569	2.9
57.03437	3.0
57.07076	6.3
59.04998	3.2
65.03950	3.6
67.05500	32.0
69.03433	5.0
69.07067	35.0
70.06607	4.6
70.87038	6.4
71.04992	6.9
73.02909	2.2
78.04724	2.7
79.05487	20.1
81.03427	2.8
81.06582	5.5
81.07059	100.0
83.04963	3.7
83.08623	10.1
85.02911	5.2
85.06555	11.4
91.05482	19.2
93.07039	33.5
95.04934	11.0
95.08606	64.2
97.02901	4.5
97.06532	8.2
97.10162	4.4
99.08091	4.2
103.05466	4.8
105.07021	17.9
107.04948	12.5
107.08598	32.1
109.02854	3.1
109.06547	4.0
109.10155	43.5
111.04422	2.5
111.08086	16.9
111.11721	6.6
115.05456	5.1
117.07049	5.6
119.04927	7.2
119.08584	10.6
120.08043	2.6
121.02940	2.9
121.06516	14.7
121.10144	19.0
122.03620	2.5
123.04424	8.7
123.08117	4.0
123.11710	47.9
125.06007	3.0
125.09633	3.7
127.07565	2.6
128.06224	3.3
129.07002	12.4
131.04935	6.4
131.08575	6.9
133.06464	2.4
133.10130	7.3
134.03694	2.7
135.04445	2.8
135.08073	5.9
135.11707	13.3
137.05983	14.6
137.09669	2.7
137.13263	16.2
139.11197	5.6
140.04715	3.0
141.12738	2.7
145.06479	6.4
146.07277	2.4
147.04417	7.3
147.11656	7.4
148.05226	2.7
149.06013	6.2
149.13281	23.5
151.03900	4.0
151.07520	16.3
151.11113	11.5
152.04683	4.5
153.01869	5.7
153.05501	9.1
153.06804	2.3
153.12784	7.6
155.14291	5.2
157.06505	11.1
159.11687	4.3
161.05966	25.5
161.07094	3.0
161.09595	8.3
161.13272	2.6
162.06609	2.4
163.07564	13.5
163.14828	7.1
165.05566	3.5
165.07024	5.5
165.09216	4.0
165.12840	3.0
166.06282	7.1
166.07710	3.0
167.07060	51.8
167.08441	5.2
169.12198	3.5
171.13843	2.6
174.06767	6.9
175.07544	9.5
175.14856	3.1
177.09094	23.1
177.16377	2.4
178.07675	2.4
179.07104	20.0
179.08611	4.0
181.04932	10.9
181.06396	3.2
181.06720	3.4
181.08597	63.0
181.10211	4.4
181.12096	2.8
181.30548	2.4
182.07309	5.1
182.08923	3.2
185.48843	2.0
187.13341	3.9
189.09116	46.6
189.10728	3.8
190.09457	3.8
195.08131	5.3
195.10223	3.4
196.08884	2.7
197.09677	5.2
198.14825	2.8
202.02603	4.0
207.10158	16.7
211.07561	6.2
215.17868	2.4
221.06035	3.4
221.11792	3.0
222.06766	4.2
223.07527	6.5
225.09103	9.6
226.09518	2.4
227.07101	6.6
229.04977	3.1
229.07356	3.0
237.09213	3.0
239.06880	3.1
240.07835	3.5
245.12894	2.7
247.08513	4.5
251.07158	4.4
253.08591	9.2
254.09164	2.9
255.10023	4.5
257.11697	8.8
258.01694	7.9
259.02271	13.2
270.08823	2.6
271.24142	4.3
277.25208	5.1
279.10190	4.3
283.09659	9.7
283.13284	9.0
285.08154	3.4
285.11276	13.7
287.02045	3.2
289.25226	12.4
295.26440	4.0
299.09158	3.6
299.12646	3.4
301.03302	5.2
307.26263	17.7
311.12817	3.5
315.12204	12.5
317.13870	20.8
325.27325	3.1
329.02917	12.3
329.14063	3.6
331.04465	7.6
333.06015	5.8
343.15433	9.7
346.06689	14.8
361.05371	13.2
361.09213	39.9
361.16373	23.4
361.20773	3.5
362.09583	4.9
362.16849	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	361.1646
Annotation	5-O-Methylhirsutanonol
Peak:m/z	Relative Intensity
51.57470	2.0
55.01871	3.7
55.05511	4.3
57.07073	2.1
62.98012	1.9
65.03936	2.0
67.05494	8.7
69.03420	3.5
69.07054	7.5
70.06580	4.0
70.78464	5.1
71.04970	1.8
72.08130	2.5
79.05500	14.5
81.03433	3.5
81.06707	1.9
81.07059	20.0
83.04967	2.8
83.08646	2.1
85.02882	4.4
85.06575	2.1
91.05485	21.3
93.07047	15.5
95.04964	9.2
95.08601	10.7
97.02872	2.5
97.06571	4.5
103.05436	11.3
105.07031	11.5
107.04946	21.7
107.08599	4.9
109.02859	5.9
109.06529	3.8
109.10151	6.5
111.04443	2.8
111.08089	2.1
113.48267	2.1
114.10258	2.7
115.05490	4.9
117.07051	4.9
119.04941	7.2
119.08563	4.4
121.06493	18.0
121.10132	6.1
122.03658	5.1
123.04429	6.1
123.08049	2.6
123.11713	11.6
124.05216	3.5
125.06004	4.8
127.03918	3.6
128.06227	4.9
129.06989	15.7
131.04919	19.8
131.08583	5.9
131.26959	2.2
132.05737	2.0
133.02914	3.4
133.06522	5.0
133.10144	3.6
135.08041	4.8
135.11745	2.8
137.05005	3.8
137.05988	54.0
137.09586	3.2
137.13252	4.4
138.03139	3.1
139.07555	2.3
141.07010	3.5
143.08569	2.4
145.06433	4.2
146.03624	2.1
147.04402	6.3
147.08032	2.4
148.05154	2.8
149.05966	8.2
149.09616	3.0
151.03893	8.4
151.07526	21.1
153.05452	22.4
157.06496	10.9
160.05214	2.4
161.05984	32.3
161.09590	8.0
163.03906	3.1
163.07549	51.8
165.05527	3.2
165.06979	5.5
165.09131	5.1
166.06258	5.6
166.07832	2.1
167.03465	2.7
167.07062	52.0
167.08466	4.0
174.06790	7.5
175.07561	8.9
176.08180	2.7
176.11430	2.1
177.05513	4.6
177.09111	100.0
179.07028	8.1
179.08537	5.0
181.04987	8.3
181.06580	4.7
181.08600	69.0
181.10208	3.9
182.07289	5.0
183.08119	3.3
189.09094	55.7
191.07021	2.9
191.10579	3.0
193.08617	4.8
195.08035	9.2
195.10130	7.3
197.05937	2.8
197.09619	6.2
199.07626	2.3
207.08331	3.8
207.10107	15.6
208.08858	3.5
210.06723	3.7
211.07510	4.9
211.09453	2.2
213.05513	2.7
219.07983	2.9
221.09720	4.1
221.11725	18.2
222.06749	4.0
223.07521	9.3
223.11180	3.4
224.08243	3.6
225.05508	2.7
225.09082	9.4
227.07043	4.4
235.07420	3.8
237.09097	3.8
238.09630	2.5
239.07086	4.9
240.07819	3.2
241.08682	3.3
251.07095	2.9
251.10655	4.3
253.08606	9.8
255.06537	2.7
255.10281	3.8
257.11765	10.8
265.08585	2.9
267.06393	2.9
268.07162	3.4
269.08081	2.8
271.05954	2.2
271.13351	2.7
272.14630	11.7
279.10089	5.7
281.08252	3.2
281.15100	4.0
283.06287	2.2
283.09653	7.7
283.13083	5.6
285.07980	3.8
285.11218	22.2
297.07877	2.7
297.11252	5.6
299.08984	2.6
299.12720	4.8
300.23239	2.1
301.06924	2.2
301.10849	2.2
302.11557	3.1
307.26184	2.9
311.12735	8.7
315.08951	3.3
315.12234	14.0
317.13834	19.2
329.10220	5.0
329.13913	4.7
331.04730	2.6
331.15482	4.3
333.13153	3.5
343.15518	10.2
345.05927	3.2
361.09140	31.7
361.12894	7.6
361.16666	15.8
362.09521	3.5
362.17212	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01855	3.8
55.05497	1.5
57.03442	1.6
61.02913	1.3
65.03934	1.9
67.05493	3.8
69.03447	2.2
70.87156	1.2
70.94565	2.3
70.94900	2.7
77.03932	1.8
78.04716	2.1
79.05495	14.8
81.03409	3.4
81.07063	9.5
83.04966	1.5
83.08630	1.4
85.02896	4.7
85.06548	2.1
91.05476	27.5
93.07045	15.4
95.04970	10.8
95.08599	3.8
97.02885	1.2
97.06516	1.6
97.64291	1.2
98.97578	1.5
99.04475	1.6
103.05477	14.2
105.07018	15.4
107.04284	2.3
107.04959	32.9
107.08607	3.1
109.02862	3.5
109.06511	3.9
109.10156	2.8
111.04420	3.4
115.05456	5.4
116.06265	2.1
117.07014	4.4
119.04944	7.4
119.08607	2.4
120.05733	4.1
121.06501	21.7
121.10121	3.0
122.03626	2.2
123.04430	8.5
123.08015	1.4
124.05255	5.9
125.06000	3.2
128.06219	9.4
129.07007	28.1
131.04938	11.5
131.08574	9.7
133.02855	4.2
133.06458	4.3
135.04422	3.0
135.08090	7.9
135.11771	1.7
137.05971	23.1
139.07544	1.4
140.04684	1.7
143.04947	1.7
145.06487	6.8
146.07253	2.7
147.04381	6.4
147.08063	2.4
148.05147	5.2
149.05966	10.5
151.03882	5.4
151.07556	21.7
152.04636	3.8
152.06215	2.3
153.05466	14.1
153.07002	3.5
155.07115	2.2
157.06491	17.6
159.08052	2.4
160.05191	1.8
161.05980	38.9
161.09616	11.0
162.06577	1.5
163.05476	1.8
163.07544	24.7
163.14792	1.8
165.05635	2.1
165.06984	11.2
165.09161	9.5
166.06273	9.9
166.07602	2.2
167.07059	71.3
167.08531	7.5
168.07433	2.0
169.06409	2.9
169.10146	1.4
171.08095	1.9
173.05995	2.3
174.06770	13.2
175.07567	10.5
177.05492	2.1
177.06947	2.9
177.09157	10.6
178.07762	3.1
179.07014	5.5
179.08566	4.3
180.07869	2.1
180.09370	1.6
181.04977	3.9
181.06573	5.7
181.08598	100.0
182.07268	8.1
182.08836	2.8
183.08099	1.8
187.07481	2.1
189.09109	85.9
190.07837	3.0
190.09412	2.1
191.07050	3.0
191.08572	5.6
191.10667	4.3
193.06458	4.1
193.08537	3.0
194.07240	5.2
195.08035	12.2
196.08792	2.4
197.05930	4.1
197.09671	9.4
199.07506	3.6
199.17043	1.6
201.08992	1.4
203.10626	1.9
205.06573	2.4
205.08441	1.5
206.07312	1.5
207.08099	4.1
207.10178	18.8
208.05116	2.0
208.08821	3.4
209.06023	2.1
209.09607	2.1
210.06688	7.2
211.07565	6.9
212.08318	2.7
213.08978	3.2
219.08040	5.8
219.09975	1.7
221.05943	6.8
221.09531	1.7
222.06741	4.7
223.07512	8.8
223.11089	2.8
224.08269	3.8
225.05492	3.4
225.09087	18.2
226.06328	1.9
227.07014	7.3
229.12193	3.1
235.07581	3.5
236.08356	5.0
237.09091	4.8
238.06129	1.6
239.07016	5.3
240.07765	5.4
241.08572	5.0
242.09370	2.6
251.07018	6.1
251.10658	6.7
253.08649	14.8
254.09283	3.4
255.06560	3.4
255.10188	6.3
257.07843	1.7
257.11710	18.8
264.07813	1.8
265.08688	3.7
267.06445	1.6
267.10120	3.5
268.07303	2.8
269.08148	2.6
269.11566	1.6
270.08774	4.3
271.13330	3.5
273.11111	1.6
279.10220	6.4
281.08118	2.6
283.09671	13.3
283.13260	9.6
285.07922	2.3
285.11200	37.3
286.11551	2.4
296.10413	2.2
297.11227	4.1
299.09137	4.6
299.12790	4.5
301.14142	2.0
302.11569	4.4
305.13791	3.2
311.12802	10.3
315.12253	23.9
315.15598	2.3
317.13809	29.8
328.13019	1.6
329.13885	3.6
331.15387	5.7
343.11737	1.4
343.15500	17.9
361.05859	2.1
361.16489	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	361.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24076	1.4
53.03946	2.2
55.01867	4.3
59.94809	1.5
61.02941	2.0
67.05512	3.1
69.03416	5.4
69.07071	2.1
69.46846	6.1
69.47279	6.8
70.06591	7.7
71.04981	1.5
73.02914	2.2
79.05487	7.2
81.03412	5.4
81.07041	2.4
84.08131	2.6
85.02901	10.7
86.09692	2.9
87.04463	2.1
91.05493	8.1
93.07047	14.7
94.04176	2.2
95.04961	6.2
95.08568	1.8
97.02916	5.1
98.97566	2.6
99.04470	1.6
103.05449	4.4
107.04949	7.9
109.02934	3.4
109.06561	2.2
111.04488	1.8
111.08093	1.6
113.02360	2.1
116.07110	3.0
118.06527	3.4
119.04946	4.9
119.07333	21.3
121.06499	18.5
123.04420	4.2
123.08047	6.0
124.07576	1.6
127.03939	5.3
131.04924	9.9
132.04437	2.9
132.23013	1.8
133.02843	7.0
135.04411	4.7
137.05978	12.4
139.03909	5.2
139.07521	15.3
145.04965	4.8
147.04404	7.8
149.05956	9.9
151.03860	2.6
153.09091	2.1
161.05968	1.8
163.03908	10.9
163.07535	21.6
164.04254	3.6
165.05542	4.0
165.06891	2.2
165.09123	12.2
167.07034	100.0
168.07387	2.7
171.43655	1.7
176.25696	1.8
181.04977	3.9
182.05286	2.0
183.08022	2.4
185.08112	3.2
189.09093	1.5
199.05917	2.6
199.09645	28.0
207.08093	3.4
209.91705	1.5
211.07620	3.3
215.05341	3.5
219.01608	1.7
225.09140	1.9
234.98857	1.6
235.07562	3.7
237.09138	2.2
237.11295	5.0
239.07036	3.1
241.08563	2.5
242.70021	1.7
243.06500	2.2
253.08549	10.1
254.11699	3.5
255.10208	2.0
257.08047	5.4
270.11264	6.9
271.09756	1.9
272.10556	1.8
299.09238	9.0
316.11798	24.2
345.09647	7.5
361.08997	5.3
362.08688	1.8
362.12381	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	361.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30743	1.1
53.03936	1.7
55.01869	1.5
55.43608	1.0
57.03427	3.4
61.02937	6.0
65.03929	1.6
69.03428	13.2
70.06602	1.9
70.76716	2.4
71.04986	1.8
73.02915	2.5
79.05502	1.1
81.03413	4.6
82.07610	1.1
85.02903	52.1
86.03234	1.9
86.09700	1.9
91.03942	4.6
93.03381	1.2
97.02885	11.6
98.56528	1.1
99.04436	2.9
107.30767	1.0
109.02892	6.0
111.04453	3.2
119.32188	0.9
123.04436	2.6
125.02359	1.2
127.03922	14.8
128.04250	1.1
130.02840	1.1
132.04453	3.2
136.03870	1.2
137.05980	4.4
139.03923	5.5
140.04691	1.6
145.04953	23.8
145.06003	2.1
146.06053	2.1
148.03934	100.0
149.04250	1.7
163.03860	4.0
163.06050	7.3
164.03389	9.3
165.05527	5.3
167.06989	1.6
175.11928	1.3
178.06995	1.0
181.08713	1.3
183.06517	2.3
196.08202	3.4
199.05853	2.4
232.06494	1.0
291.03946	1.4
309.04953	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
57.03435	3.7
61.02911	7.6
64.38674	1.9
65.03932	3.5
69.03420	18.0
69.14975	1.7
70.06574	4.6
70.73003	4.1
70.73363	3.8
71.04966	2.4
73.02913	4.2
80.05000	2.4
81.03405	10.1
83.04947	2.1
84.04504	2.1
85.02905	88.5
86.03251	2.5
87.04447	2.1
91.03930	4.3
95.04948	5.4
96.04485	2.5
97.02899	23.0
98.97560	2.7
99.04449	2.3
101.02389	2.0
104.04992	2.5
108.04481	5.0
109.02885	11.1
111.04433	8.5
120.04429	2.1
121.02812	2.5
121.06487	2.3
123.04449	11.7
127.03923	23.3
130.02882	3.2
132.04451	56.0
135.05531	5.0
136.03894	4.2
137.02419	2.1
137.05971	7.2
138.05458	3.2
139.03885	12.3
139.07552	2.7
143.03340	2.2
143.05768	3.1
145.04974	29.6
148.03932	100.0
153.06660	2.2
163.06009	6.0
164.03439	5.7
167.07031	7.1
181.06065	5.7
189.73186	1.8
196.08176	3.0
199.07159	17.0
199.09460	2.1
205.06927	2.0
277.40991	2.1
361.08829	3.3
361.12735	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0918
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
56.96576	0.2
65.03935	0.2
66.04729	0.2
67.05509	0.2
67.63812	0.2
67.71145	0.1
68.99811	0.2
69.03447	0.2
69.07088	0.1
70.85487	0.3
81.07051	0.1
85.02921	0.4
87.49746	0.1
90.04720	0.5
91.05475	0.3
94.15762	0.2
95.05027	0.3
102.63496	0.2
105.03372	0.3
111.00852	0.4
118.04179	0.6
119.04977	0.2
121.02882	0.4
121.06477	0.2
123.04443	0.3
132.04445	0.2
133.02882	0.5
135.04466	0.4
137.02336	0.5
139.03940	0.6
146.02612	0.1
146.03612	0.8
147.04399	0.2
149.02382	0.4
149.05962	0.2
150.03131	0.5
151.03902	0.3
153.01833	7.9
154.06273	0.3
163.03867	0.2
164.04684	3.4
165.01880	0.4
165.05507	1.1
166.06303	0.2
167.07065	0.2
173.05981	0.3
174.03195	0.2
175.04182	0.1
177.01944	0.2
178.02484	0.2
179.03368	1.0
181.04967	0.9
183.02840	0.2
187.03876	0.4
189.05405	0.2
190.11124	0.3
191.03357	0.1
192.04187	2.3
193.04906	0.4
194.05730	0.9
197.04480	0.2
199.11705	0.5
201.05464	0.6
204.04266	0.5
205.04985	0.2
207.02832	0.2
213.05537	0.4
215.03416	0.7
216.04309	0.2
217.04996	0.7
219.02902	0.2
219.06471	0.2
220.03667	0.2
228.04144	0.3
229.04929	2.3
230.05759	0.3
231.02884	0.2
232.03600	0.9
241.04961	0.5
242.05693	0.3
243.02888	1.1
243.06540	0.5
244.03667	0.2
244.07253	0.3
245.04500	0.6
246.05006	0.2
247.06056	0.8
253.04880	0.2
254.05815	0.3
255.02733	0.2
255.06581	0.2
256.03555	0.2
257.04480	3.3
258.05270	0.8
259.02444	0.2
259.06082	0.4
260.03195	2.0
261.03931	0.3
269.04483	1.0
270.05255	0.4
271.02405	1.5
271.06033	1.8
271.13788	1.3
271.63815	0.2
272.03192	0.5
272.06726	0.5
273.04007	0.5
273.07605	0.3
274.04678	0.4
275.05496	5.5
275.08466	0.3
280.14301	0.4
282.05051	0.2
283.06006	0.2
284.03250	0.4
285.03903	3.3
286.04684	1.6
287.05432	1.8
288.02670	2.4
297.03882	0.4
299.01880	1.2
299.05518	1.1
300.02682	10.5
300.06259	1.0
301.03391	2.2
301.07117	1.1
302.04294	1.3
302.07590	0.3
303.05014	4.9
313.03430	0.8
314.04211	0.6
315.05017	4.7
316.02249	0.9
316.05521	0.3
317.02881	0.6
317.06616	1.1
318.07278	1.4
327.05145	1.2
328.05606	0.3
329.03073	0.3
329.06564	1.1
330.03854	0.9
331.04492	7.0
332.05063	0.5
345.06058	5.5
346.06839	50.2
347.07217	2.3
361.09174	100.0
362.09479	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	361.0917
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
55.01859	0.4
55.05499	0.8
56.96559	0.5
57.03446	0.3
57.07063	0.7
59.04991	0.4
61.02900	0.2
67.01855	0.8
67.05504	2.2
68.99792	0.6
69.03419	0.6
69.07067	1.7
70.06564	0.2
71.04981	0.3
71.59812	0.3
73.31995	0.2
79.05492	1.6
81.03407	0.5
81.07055	6.6
83.04985	0.3
83.08609	0.8
85.02890	1.0
85.06534	0.4
89.07426	0.2
91.05477	1.5
93.03390	0.2
93.07042	2.6
95.04977	0.6
95.08043	0.4
95.08608	4.5
97.02907	0.3
97.06534	0.6
97.10187	0.4
98.97595	0.4
99.04440	0.3
103.05453	0.3
105.07036	1.5
107.04949	0.7
107.08595	2.6
109.02861	0.7
109.06580	0.3
109.10159	3.2
110.10493	0.2
111.04430	1.2
111.08119	0.2
111.11700	0.3
115.05465	0.3
116.98604	0.3
117.06993	0.3
119.04958	0.2
119.08552	0.8
121.06489	0.5
121.10136	1.6
122.03636	0.3
123.04426	0.5
123.08003	0.4
123.11716	2.3
124.05193	0.8
125.02339	0.4
125.09668	0.3
127.03919	0.5
129.06984	0.5
131.04929	0.6
131.08592	0.5
132.04471	1.5
133.10121	0.6
135.04445	0.4
135.11665	1.4
137.05986	0.9
137.13264	0.7
138.03091	0.3
139.03896	0.9
143.08580	0.3
144.05327	0.3
145.02934	0.3
145.06438	0.3
145.10153	0.5
147.04359	0.4
147.11664	0.7
149.02379	0.3
149.05972	0.4
149.13268	1.9
150.03082	0.3
151.03886	0.8
151.07539	0.6
152.04697	4.1
153.01874	0.4
153.05511	0.5
157.06468	0.5
159.11597	0.2
161.05972	0.7
161.13219	0.6
163.03844	0.5
163.07564	0.5
163.14844	0.5
165.01843	2.1
167.03401	36.7
167.07045	2.2
168.03802	0.7
174.06711	0.3
174.34628	0.2
175.03874	1.7
175.07544	0.4
177.00758	0.3
177.05476	0.9
177.09160	0.3
178.05756	0.3
179.03410	1.4
179.07088	0.3
180.04178	2.9
181.04915	0.7
181.06384	0.3
181.08572	1.3
184.03691	0.4
185.04434	0.5
185.05998	0.2
187.07533	0.3
189.09125	1.4
191.03752	0.3
191.06955	0.3
192.04144	0.5
193.04968	0.6
194.07376	0.2
195.08069	0.4
201.00435	0.2
201.05482	0.5
202.06235	0.4
205.04953	2.1
207.06511	1.1
207.10123	0.3
208.03616	0.3
209.00786	1.1
210.06595	0.3
213.05490	0.7
214.06290	0.3
214.45045	0.2
215.03302	0.3
216.04179	0.3
217.04887	0.7
219.01776	0.4
219.06566	0.3
221.04420	0.5
223.05968	0.6
224.03105	1.8
225.09033	0.3
229.05009	0.8
230.05760	1.0
231.06482	0.3
233.04413	1.7
235.05942	0.3
237.02831	0.6
241.04979	1.4
243.06544	0.4
245.04382	0.3
245.08107	0.7
246.05147	0.3
247.06047	0.6
255.06592	0.3
257.04449	0.9
257.11813	0.4
258.05252	3.4
259.05804	0.6
259.64603	0.2
261.03979	1.6
269.04449	6.9
270.04919	0.8
271.02469	0.2
271.05927	0.4
271.24219	0.3
272.06506	0.3
272.14517	0.2
273.07574	4.4
274.04675	1.0
274.07663	0.2
275.05484	7.1
276.05972	0.4
277.25052	0.3
279.03867	0.3
283.09824	0.7
285.04056	1.4
285.10971	0.6
286.04733	1.7
287.05414	0.5
289.07062	0.9
289.25165	0.6
297.03940	0.7
298.04758	0.5
299.02045	0.4
299.05524	0.4
300.02649	0.5
300.06180	0.4
301.07059	7.8
302.07626	0.5
302.10977	0.3
303.04977	6.6
307.26291	0.7
313.03473	1.9
314.04224	10.8
315.04803	1.2
315.12228	0.6
317.02820	0.5
317.06555	9.6
317.13846	0.5
318.07272	4.1
328.05807	0.9
329.06552	24.9
330.06964	1.8
331.04523	2.5
343.15503	0.5
345.06073	0.6
346.06821	19.4
347.07059	1.3
361.09164	100.0
362.09467	5.5
362.12967	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	361.0915
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.05485	0.2
65.03945	0.2
67.05502	0.2
67.32433	0.2
68.99789	0.4
69.36441	1.5
69.36852	0.5
70.91172	0.3
76.84705	0.2
85.02880	0.4
90.04678	0.4
91.05442	0.3
92.24358	0.2
95.04932	0.6
99.58992	0.2
105.03377	0.2
107.46131	0.2
109.02841	0.2
111.00826	0.3
118.04150	0.7
121.02833	0.3
121.06491	0.4
123.04416	0.3
133.02808	0.4
135.04398	0.3
135.08058	0.2
137.02321	0.5
139.03871	0.6
140.91176	0.2
146.03610	0.7
149.02339	0.4
150.03116	0.6
151.03885	0.3
153.01820	8.1
154.06194	0.3
161.05905	0.3
164.04688	3.2
165.01788	0.3
165.05453	0.9
167.07024	0.5
170.50523	0.2
179.03380	0.7
181.04953	0.9
187.03925	0.4
192.04176	2.1
193.04890	0.4
194.05705	0.6
197.04492	0.3
201.05487	0.5
203.03403	0.2
204.04132	0.6
213.05386	0.4
215.03413	0.8
217.04929	0.8
219.02846	0.3
219.06514	0.4
229.04909	2.0
232.03650	1.2
233.04398	0.2
240.04059	0.3
241.04971	0.5
241.28177	0.2
242.05641	0.2
243.02879	1.1
243.06575	0.4
244.03644	0.3
244.07234	0.4
245.04492	0.8
246.05161	0.4
247.06038	1.2
247.98610	0.2
254.05740	0.4
257.04486	3.3
258.05157	1.0
259.05914	0.6
260.03174	2.2
269.04416	0.8
270.05081	0.3
271.02411	1.2
271.05988	2.1
272.02975	0.4
272.06735	0.9
273.03934	0.6
273.07501	0.4
274.04663	0.2
275.05472	5.1
283.06107	0.3
284.03177	0.4
285.03934	3.2
286.04706	2.5
287.05457	1.7
288.02676	2.5
288.05640	0.4
297.03876	0.3
299.01883	1.2
299.05554	1.0
300.02676	10.7
300.06171	1.0
301.03342	2.7
301.07034	1.8
302.04153	1.4
302.07202	0.2
303.01602	0.4
303.04980	5.7
313.03464	1.0
314.04105	0.6
315.05002	5.1
315.08627	0.4
316.02118	1.0
316.05496	0.4
317.02863	0.8
317.06543	1.5
318.07159	1.3
327.04996	1.2
328.05814	0.5
329.02942	0.4
329.06497	1.2
330.03540	1.0
331.04468	7.2
332.04932	0.5
345.02646	0.1
345.06027	5.6
346.06824	48.8
347.07196	2.0
361.09158	100.0
362.09515	4.1
375.03922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0918
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
51.51265	0.2
60.04243	0.2
68.99820	0.4
69.88742	0.2
70.76357	0.7
73.89350	0.2
79.05522	0.3
81.07063	0.2
82.86204	0.2
85.02920	0.6
86.85901	0.2
90.84580	0.2
91.05489	0.4
93.91631	0.2
95.04992	0.4
97.10187	0.2
100.41402	0.2
106.80374	0.2
107.04971	0.3
107.08614	0.3
118.04163	0.3
121.02871	0.2
124.01588	0.2
129.06996	0.3
131.08603	0.3
131.84297	0.2
135.04472	0.4
137.02341	0.4
137.05930	0.3
153.01839	3.4
161.05949	0.3
164.04637	0.3
164.27132	0.2
165.01773	0.4
165.05539	0.3
165.58083	0.2
167.07085	0.9
176.04695	0.5
179.03487	0.5
181.04907	0.6
181.08632	0.3
187.03793	0.5
189.09116	0.3
191.03453	0.4
192.04097	0.4
201.05397	0.5
203.03325	0.3
204.04182	0.6
205.05049	0.4
213.05434	0.2
215.03510	0.7
217.04980	0.9
219.02908	0.4
229.04942	2.3
232.03665	1.3
233.04526	0.4
241.04768	0.2
242.05763	0.3
242.11797	0.3
243.02849	1.0
243.06503	0.5
244.07307	0.4
245.04486	0.8
246.05415	0.3
247.06087	1.1
247.12814	0.3
255.09294	0.2
257.04413	5.0
258.05203	0.7
260.03131	2.2
261.04031	0.5
271.02640	1.9
271.05856	2.1
272.03210	0.5
272.06824	1.2
273.03937	0.6
273.07458	0.4
274.04681	0.5
275.05515	6.5
285.03918	4.1
286.04663	0.8
287.05426	0.3
288.02649	3.5
289.03125	0.3
299.01883	1.7
299.05490	0.7
300.02664	17.4
300.06244	1.4
301.03381	4.6
301.07007	0.9
302.04233	2.6
303.04974	7.3
313.03479	2.1
314.03949	0.7
315.05109	1.4
315.08456	0.3
316.02151	1.7
317.02878	2.6
317.06607	1.6
318.07291	0.2
328.06082	0.3
329.03021	0.4
329.06329	1.2
330.03638	1.9
331.04474	37.2
332.04913	2.3
343.04288	0.3
345.06039	11.0
346.06808	18.0
347.07245	0.8
361.09152	100.0
362.09473	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	361.091
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
54.86780	0.1
55.01894	0.1
55.05517	0.1
56.96579	0.1
62.90772	0.1
65.03970	0.2
65.47340	0.1
66.01106	0.1
66.04736	0.1
67.01884	0.1
67.05526	0.2
68.99496	0.1
68.99770	0.3
69.03450	0.1
69.07078	0.2
69.42117	0.1
69.96935	0.4
78.01073	0.1
79.05523	0.2
81.07052	0.5
83.08659	0.1
85.02903	0.6
89.03930	0.2
90.04719	0.4
91.05521	0.2
93.03380	0.2
93.07078	0.2
95.04971	0.4
95.08617	0.3
98.97627	0.2
99.08159	0.1
104.02666	0.1
105.03430	0.2
105.07047	0.1
107.04988	0.2
107.08624	0.2
108.02152	0.1
109.02893	0.1
109.10181	0.2
111.00848	0.2
111.04451	0.1
116.98647	0.1
117.07070	0.1
118.04156	0.6
119.05002	0.2
119.08601	0.1
121.02878	0.3
121.06528	0.1
121.10165	0.1
123.04436	0.4
123.11697	0.2
126.03179	0.2
127.03936	0.1
129.73378	0.1
131.04991	0.1
132.04529	0.1
133.02849	0.6
134.03670	0.1
135.04451	0.3
135.11676	0.1
136.05235	0.1
137.02353	0.5
137.06012	0.2
139.03911	0.6
140.04701	0.1
141.48805	0.1
142.95470	0.1
145.02914	0.1
146.03659	0.7
147.04442	0.2
148.05264	0.1
149.02328	0.4
149.05963	0.1
149.13231	0.1
150.03085	0.4
151.03934	0.3
153.01833	8.1
154.02335	0.1
154.06226	0.4
157.06549	0.1
158.99690	0.1
161.02350	0.1
161.05998	0.2
162.03239	0.1
163.03996	0.1
164.04688	3.6
165.01877	0.5
165.05481	1.3
166.02618	0.2
166.06331	0.1
167.07130	0.2
171.04515	0.1
171.06528	0.1
172.10165	0.1
173.06033	0.1
174.03166	0.3
175.03911	0.1
177.00618	0.1
177.01933	0.1
177.05490	0.2
178.02641	0.1
179.03441	0.9
181.04987	0.8
181.10635	0.1
181.36366	0.1
183.02911	0.1
185.05960	0.1
187.03867	0.4
188.04668	0.1
189.05391	0.1
190.11206	0.2
191.03461	0.2
191.07028	0.1
192.04170	2.2
192.05830	0.1
193.04980	0.3
194.02164	0.2
194.05772	1.0
197.04529	0.3
199.11726	0.2
201.05479	0.5
201.86967	0.1
203.03461	0.2
204.04195	0.5
205.01465	0.1
205.04985	0.2
207.02982	0.2
207.06473	0.1
212.04688	0.2
213.05444	0.5
215.03433	0.6
215.07100	0.1
216.04170	0.2
217.04915	0.6
218.05612	0.1
219.02895	0.3
219.06610	0.2
220.03735	0.3
221.04346	0.1
226.06395	0.2
227.03441	0.1
227.07188	0.1
228.04123	0.2
229.04956	2.0
230.05731	0.4
231.02937	0.2
232.03658	1.0
233.04488	0.3
238.04823	0.1
240.04164	0.1
241.04987	0.6
242.05780	0.2
243.02916	1.0
243.06467	0.4
244.03716	0.3
244.07318	0.3
245.04422	0.7
245.94884	0.1
246.05116	0.1
247.06036	1.0
253.04903	0.2
254.05803	0.3
255.02890	0.3
255.06560	0.2
256.03696	0.2
257.04468	3.6
258.05246	1.0
259.02640	0.1
259.06021	0.5
260.03146	2.2
261.03815	0.2
269.04449	1.0
270.05078	0.3
271.02417	1.4
271.06042	2.0
271.13818	0.5
271.63953	0.1
272.03180	0.4
272.06793	0.9
272.14609	0.3
273.03931	0.5
273.07571	0.3
274.04681	0.3
275.05518	4.3
276.05917	0.1
280.14334	0.1
282.05151	0.1
283.02585	0.1
283.05887	0.3
284.03256	0.4
285.03943	2.9
286.04688	1.7
287.05493	1.6
287.99854	0.1
288.02689	2.1
288.05841	0.2
289.07211	0.1
297.03937	0.5
298.04526	0.2
299.01871	1.2
299.05545	1.1
300.02682	9.8
300.06201	0.8
301.03369	2.5
301.07068	1.2
302.04269	1.4
302.07562	0.1
303.04999	5.0
304.05438	0.3
311.05661	0.1
312.02676	0.3
313.03400	1.0
314.04175	0.5
315.04987	4.8
316.02133	1.0
316.05612	0.4
317.02875	0.9
317.06549	1.2
318.03677	0.1
318.07300	1.3
327.05054	1.0
328.05792	0.4
329.02960	0.3
329.06567	1.3
330.03680	0.7
330.07056	0.1
331.04486	7.2
332.05017	0.4
345.06082	5.3
346.06836	48.5
347.07162	2.1
361.09167	100.0
362.09534	4.3
362.14169	0.1
362.17047	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
55.05507	32.2
56.32818	2.8
59.04992	5.0
67.05509	67.5
69.03421	4.2
69.07067	26.1
71.04995	59.7
71.05931	6.7
71.06271	4.2
73.06543	6.6
73.54058	2.9
75.28216	4.1
79.05494	56.4
81.07053	29.5
83.08626	18.3
87.08109	4.0
91.05470	19.7
93.07034	62.1
95.04959	4.3
95.08620	30.5
97.06520	9.0
97.10173	29.0
105.07069	18.8
107.08595	52.8
109.06557	3.9
109.10154	52.3
111.08107	6.2
115.40067	3.1
117.70271	3.4
119.08560	8.2
119.97601	3.3
121.10152	64.7
123.11710	5.0
125.09632	25.9
131.08554	6.2
133.10146	11.1
137.09636	3.7
145.10059	6.1
147.11668	5.8
149.09644	11.0
153.12752	53.7
155.10667	15.0
161.13307	4.7
172.00980	3.6
173.10237	5.0
173.11743	100.0
173.13150	3.5
189.11214	36.1
257.18982	7.5
263.10193	3.6
275.20056	60.5
293.21420	3.8
359.65927	3.8
361.09140	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
53.96120	1.8
55.01879	4.4
55.05511	16.8
56.96571	2.4
57.03429	3.5
59.04977	2.9
62.42831	1.8
67.05508	41.1
67.25340	2.1
69.03411	6.1
69.07066	32.0
69.78241	7.9
69.78677	3.5
71.04993	100.0
79.05499	29.4
81.03394	5.5
81.07057	52.5
83.04959	6.2
83.08616	11.7
85.02898	5.6
85.06530	3.3
86.83138	2.0
91.05477	22.0
93.07047	28.6
95.04978	9.3
95.08613	27.5
97.02873	3.7
97.06527	23.6
97.10178	11.7
99.08091	3.3
105.07027	22.3
107.04929	5.5
107.08591	36.0
109.06511	6.0
109.10149	8.0
111.08086	4.3
111.14096	1.8
113.09599	2.9
115.07555	9.0
117.07008	8.6
119.08598	13.5
121.06477	3.5
121.10132	12.3
123.08042	4.3
123.11694	2.0
125.09650	13.4
131.08542	12.0
133.10146	18.1
135.08017	3.3
135.11673	13.4
137.09636	3.3
145.10094	10.4
147.11665	8.5
149.09613	7.6
149.13255	11.0
151.11176	2.9
155.68373	2.0
159.11716	14.1
161.13171	2.4
163.11183	6.0
167.07129	3.7
173.11737	3.8
173.13191	2.6
175.11238	1.8
177.12766	9.5
179.14371	3.3
183.11679	2.1
189.11183	11.6
194.12987	4.9
195.13786	21.4
195.15434	2.7
209.15346	6.9
213.14836	8.8
227.16417	84.4
247.20573	2.0
255.08984	2.7
257.18979	6.9
275.20062	50.5
278.34335	2.2
293.21124	3.3
307.22586	12.1
330.37268	2.0
346.06915	6.7
360.11368	2.2
360.15289	2.4
361.09125	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	360.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38274	4.5
51.39448	4.8
53.03945	6.1
55.01870	18.7
55.05506	35.5
57.03437	9.8
67.05508	76.8
68.99815	8.4
69.03428	8.2
69.07070	73.3
70.53917	5.7
70.54260	19.5
71.01357	17.3
71.04985	17.8
79.05494	56.1
81.03416	30.1
81.07065	100.0
83.04986	23.5
83.08619	17.7
85.02896	13.1
85.06541	12.6
87.25406	5.8
91.05476	53.8
93.07045	67.2
95.04979	30.2
95.08611	51.4
97.02901	16.9
97.06519	38.1
97.10178	13.2
99.04442	5.8
99.08084	12.5
105.07031	32.9
107.04958	19.1
107.08604	45.3
109.06511	23.5
109.10175	29.9
111.04439	14.1
111.08076	16.7
113.06017	7.3
117.07005	16.1
119.08617	29.9
121.06536	10.4
121.10133	49.6
123.04417	16.5
123.08084	20.1
125.09638	10.9
127.03922	7.6
131.08568	29.9
133.06442	7.5
133.10129	25.8
135.08067	32.0
135.11707	20.8
137.09630	9.6
139.07558	11.7
139.11188	7.7
141.09099	17.6
143.08545	8.8
144.16475	5.5
145.04933	5.9
145.06467	6.2
145.10124	19.3
147.08069	12.6
147.11699	11.4
149.09595	26.6
151.07486	5.2
151.11188	13.3
153.04295	4.9
153.09123	27.0
157.10143	5.4
159.08095	6.3
159.11682	6.5
161.09633	9.8
163.07529	8.2
163.11194	10.5
165.09131	14.7
167.03419	8.9
167.07063	17.4
167.10724	21.4
172.07620	4.5
173.09602	8.1
173.11754	19.8
175.11261	8.3
177.09195	6.9
179.06946	5.3
179.10655	8.0
181.12233	16.4
185.11789	8.4
189.09116	7.9
191.10648	9.3
193.12238	88.1
199.13240	6.0
199.39821	4.6
209.11720	20.7
211.13252	5.5
219.09966	6.9
221.11780	5.3
227.12822	8.7
261.18521	11.3
271.17014	15.0
275.05585	8.5
289.17999	84.3
291.19543	18.1
303.05051	6.9
307.19046	42.2
325.20132	19.4
331.04538	10.2
346.06842	15.7
360.11865	6.9
361.09171	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.9
53.24094	5.1
55.01865	10.4
55.05507	27.4
57.03438	9.8
59.04995	10.4
64.43253	4.2
65.03946	7.2
67.05505	64.0
69.03426	17.3
69.07071	64.6
69.57229	4.5
69.80846	24.6
71.01368	7.9
71.05000	100.0
79.05495	58.6
81.03439	26.2
81.07059	75.3
82.12350	4.9
83.04986	12.6
83.08624	17.4
84.02092	8.7
84.29063	5.1
85.02895	13.2
85.06521	7.8
91.05490	38.2
93.07046	56.1
95.04967	26.7
95.08606	38.9
97.02911	5.7
97.06527	65.4
97.10181	10.1
99.08100	7.8
105.07044	30.4
107.04956	5.5
107.08589	37.5
109.06520	15.8
109.10165	16.7
111.08090	13.6
115.07562	43.7
117.07049	9.1
119.08591	20.3
121.06525	7.4
121.10147	19.3
125.09646	8.2
131.07037	8.9
131.08585	10.0
133.10112	25.1
135.08096	9.6
135.11676	27.2
145.05008	7.4
145.10129	7.9
147.11693	9.3
149.09691	6.7
149.13249	9.0
157.10048	5.8
159.11707	15.5
163.11243	5.2
167.07098	6.6
173.11761	13.6
173.13300	5.5
177.12682	12.9
189.11322	7.6
194.13060	14.4
195.13834	17.3
209.15460	5.7
213.14833	5.9
227.16452	48.2
275.20084	40.0
293.21213	5.9
307.22733	8.4
346.06909	10.8
360.11636	5.9
361.09207	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.2
55.01864	17.4
55.05508	36.0
55.61104	3.5
57.03436	20.1
57.07084	6.4
65.03935	4.9
67.05174	5.3
67.05507	82.0
67.38988	3.8
69.03421	11.3
69.06728	5.5
69.07070	77.8
70.06579	5.5
70.56712	13.2
71.01351	20.8
71.05000	19.4
76.60979	3.4
79.05492	68.9
81.03436	26.8
81.07059	100.0
83.04991	27.4
83.08617	23.0
85.02904	16.3
85.06538	9.9
91.05476	48.3
93.07050	69.5
95.04958	36.9
95.08601	40.3
97.02888	16.2
97.06554	37.8
97.10178	10.5
99.04474	5.8
99.08083	15.3
105.07037	29.5
107.04941	17.3
107.08600	51.4
109.02870	9.4
109.06515	32.2
109.10150	22.4
111.04433	12.1
111.08088	16.2
113.06010	12.3
117.07013	21.8
119.08578	31.6
121.06492	10.4
121.10146	58.7
123.04430	9.0
123.08091	23.6
125.06017	8.9
125.09633	14.6
129.06958	5.9
131.08595	27.8
133.10146	26.0
135.08028	30.2
135.11661	22.5
137.05971	9.6
137.09596	7.2
139.07526	8.8
139.11215	13.8
141.09097	14.5
143.08583	9.4
145.05054	5.7
145.06502	6.9
145.10120	18.9
147.08035	9.7
147.11690	9.9
149.05963	3.8
149.09599	26.9
151.07513	5.5
151.11154	10.1
153.09097	28.9
159.08040	4.7
159.11693	7.1
160.97299	9.8
161.09602	12.5
163.11198	11.9
165.09077	4.5
167.03412	10.4
167.07091	5.9
167.10732	22.0
173.09660	8.2
173.11775	21.9
173.13011	3.9
179.10649	9.6
181.08650	7.1
181.12209	13.8
183.11797	4.9
185.11728	6.3
187.11192	7.8
189.11360	4.2
191.10672	11.3
193.12236	89.2
194.12614	4.6
195.13763	3.9
205.12201	6.0
209.11778	19.5
211.13383	4.4
217.15840	5.2
223.13220	12.9
227.12735	7.6
251.76886	3.9
261.18558	7.1
271.16898	10.9
273.18536	12.5
275.05463	6.6
276.57022	3.8
289.17993	84.0
290.18216	6.2
291.19464	22.5
297.03912	4.9
297.26563	3.8
303.05121	10.4
307.19028	32.4
325.19958	11.6
329.06442	9.4
331.04419	15.3
345.09555	4.7
346.06720	17.4
361.09158	64.2
361.23779	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	360.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
53.46655	0.3
57.03416	0.5
61.02922	1.5
63.34438	0.3
67.05506	0.7
67.67822	0.3
67.78135	0.4
69.03429	1.7
70.06594	2.1
70.69402	1.2
72.08145	0.4
81.03403	0.9
85.02907	6.7
86.09722	0.4
88.14291	0.3
91.03961	0.6
97.02906	2.4
105.07065	0.4
107.08569	0.6
109.02824	0.7
117.07017	1.1
123.04433	100.0
124.04745	2.7
127.03920	1.4
131.04939	0.5
135.08049	1.5
135.11719	0.3
137.05943	0.8
145.04988	1.5
145.06512	2.0
147.04414	0.4
153.01878	0.8
163.07550	34.3
164.07883	0.9
167.07170	0.5
179.07076	0.4
180.08694	0.9
181.05145	0.4
181.08603	12.1
181.10216	0.6
182.09093	0.4
197.11752	0.7
198.12036	1.2
199.13263	0.6
200.04623	0.4
208.09741	0.5
218.05748	0.4
222.30200	0.4
254.17603	1.5
261.07565	0.7
296.18524	0.5
360.16452	0.4
360.20145	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.6
57.03439	10.9
60.20161	1.5
61.02911	5.0
62.06070	1.5
66.17766	1.3
69.03072	2.4
69.03430	34.6
70.06595	2.0
70.19627	4.9
70.20040	3.0
70.20783	1.3
71.01344	1.5
71.04994	1.5
73.02915	6.6
81.03394	4.3
85.02903	100.0
87.04463	1.7
97.02891	36.6
99.04471	8.7
101.02366	5.0
106.05025	4.1
108.80986	1.4
109.02863	6.5
115.03914	3.2
127.03919	67.3
137.05913	1.5
145.04959	67.2
156.59804	1.6
163.03925	5.2
163.06006	20.0
180.08675	4.4
198.07658	1.7
198.09653	2.0
275.05988	1.9
322.88681	1.4
360.08823	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98340	1.5
55.01872	7.3
57.03436	9.3
61.02933	3.3
69.03429	32.4
69.76151	1.5
70.87108	2.3
70.87426	1.4
73.02907	6.9
81.03418	3.1
85.02905	100.0
91.03975	2.0
97.02896	33.9
97.03513	2.4
99.04462	8.8
101.02386	4.8
109.02874	5.2
115.03948	4.3
126.70549	1.2
127.03918	77.7
142.90788	1.4
145.04964	70.1
163.03964	1.7
163.06029	23.6
180.08670	4.7
204.88019	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.4
56.05032	13.6
56.96569	5.0
57.03424	6.8
61.02917	9.7
61.24528	2.5
62.06093	4.8
66.21708	2.5
69.03428	28.0
70.06602	18.9
70.97913	4.2
70.98242	4.3
71.04990	8.1
72.08172	3.5
73.02911	8.4
81.03412	8.3
81.07055	2.5
84.04533	2.5
84.08149	5.0
85.02911	89.5
97.02899	34.1
98.97597	3.7
99.04459	15.3
101.02364	5.5
103.03948	6.2
107.04942	3.9
108.08126	5.1
109.02876	9.5
111.04413	5.5
115.03905	3.3
119.01911	6.6
124.07590	7.6
127.03927	57.5
131.00235	2.9
134.06003	10.9
135.04395	7.0
136.07568	25.4
137.05966	3.4
137.08382	5.0
139.03879	9.9
139.04951	4.7
145.03452	8.5
145.04964	50.2
152.07077	42.9
158.09264	2.8
162.05511	8.5
162.09167	13.6
163.04126	2.7
163.06020	18.0
169.06128	3.0
180.06570	22.5
180.08759	4.1
180.10199	29.2
181.04982	10.1
181.07188	4.0
198.07634	55.7
198.09755	3.5
198.11266	100.0
199.06291	5.6
207.91805	2.7
223.07178	6.4
270.10922	6.7
288.81812	2.5
360.08899	3.6
360.12924	10.3
360.16791	37.4
361.11566	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34460	0.6
51.58968	0.6
60.04510	0.6
61.02914	0.6
69.03426	1.4
70.06589	1.2
71.18656	1.3
75.91014	0.5
81.03435	0.6
83.06781	0.6
85.02910	5.5
86.09710	2.6
95.04948	1.0
95.08588	0.8
97.02891	1.6
114.71355	0.6
121.02869	2.5
127.03925	1.3
133.02847	2.0
133.10165	0.8
135.04395	2.1
140.07065	0.8
144.33099	0.7
145.04951	1.3
149.02345	100.0
150.02711	2.0
162.05486	0.7
163.03908	68.6
164.04282	1.1
167.03404	1.9
180.08667	1.1
181.04962	32.9
181.30161	0.6
197.11725	0.9
198.12103	1.7
199.97943	0.6
243.79234	0.6
252.24829	0.6
305.26709	0.6
316.34702	0.7
361.05746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58497	1.1
55.01868	2.3
55.05503	4.7
57.07059	1.3
62.19064	1.3
65.03928	3.4
67.05180	1.3
67.05507	14.1
68.95061	1.2
69.03409	3.7
69.07061	7.5
71.04977	3.1
71.60195	1.9
79.05478	5.7
81.03394	3.7
81.07061	23.3
82.04142	1.9
83.08603	4.0
85.02920	6.1
85.06572	3.0
91.05480	6.3
93.07045	8.0
95.04939	3.5
95.08158	1.1
95.08627	12.9
97.02857	2.6
97.06497	2.5
100.24308	1.3
101.71867	1.2
105.07030	7.0
107.04958	2.6
107.08592	8.4
109.02863	2.4
109.06505	2.9
109.10160	23.6
110.03647	2.1
111.04439	4.3
111.11658	1.3
111.50724	1.2
117.07021	2.1
119.08551	3.8
121.02890	8.3
121.06486	3.2
121.10130	6.6
123.08086	1.6
123.11686	4.9
125.05980	4.8
127.03905	1.5
127.11173	1.8
129.07037	1.6
131.04918	2.6
131.08578	2.5
133.10117	4.5
135.08032	3.7
135.11665	4.5
137.05997	5.8
137.09602	1.6
137.13252	1.6
144.05708	1.6
145.06496	2.1
147.08011	1.7
147.11681	2.8
149.02293	3.5
149.05957	1.5
149.13239	4.7
151.07518	1.6
151.11115	1.3
151.55807	1.2
152.06190	1.6
153.05453	3.9
153.07030	2.4
157.10126	1.4
159.08035	3.9
159.11697	4.6
160.97372	3.0
161.05963	1.9
161.09691	2.3
163.07527	1.8
165.05484	2.1
165.06891	2.7
167.07153	6.0
167.08438	2.2
168.05652	1.5
169.06461	1.7
175.07578	1.3
177.12660	1.4
178.07739	1.8
179.08511	2.2
181.04991	18.9
181.06467	2.7
182.07220	3.5
183.07936	1.4
184.08783	1.2
194.07251	2.1
195.08081	6.8
195.13847	1.7
197.05968	3.9
197.09659	1.9
197.11676	2.2
198.06726	1.4
199.07495	1.6
199.71439	1.2
205.06488	1.8
207.08049	3.8
209.05885	1.6
209.09558	2.4
210.06740	6.8
211.07573	6.0
212.08215	2.0
213.09048	1.7
221.05910	1.9
221.09605	9.7
222.06747	2.7
222.10197	1.6
223.07590	8.6
224.08231	4.7
225.05566	1.9
225.09027	5.2
226.06184	2.5
227.07030	4.1
227.10532	1.6
228.12021	1.2
229.08636	1.4
234.06802	2.8
235.07544	1.6
236.08240	2.0
237.05403	1.6
237.09140	7.9
238.06288	2.8
238.09833	6.8
239.06941	5.3
239.10510	2.6
240.07828	10.0
241.08427	3.8
242.05641	2.2
243.06534	1.2
248.08183	1.6
249.09140	6.0
250.09738	1.8
251.06964	5.5
252.07829	4.0
253.08606	19.7
253.12221	4.7
254.09178	3.6
255.06587	5.8
255.10176	7.4
256.07071	2.0
257.00668	2.6
257.08093	7.0
258.00143	6.6
265.08594	6.2
266.09372	5.2
267.06561	2.4
267.10001	4.3
268.07260	3.8
269.08127	11.5
269.10770	2.1
270.08752	3.6
279.13565	1.5
281.08035	6.7
281.11652	11.7
282.12167	1.7
283.06287	2.3
283.09625	14.3
284.10428	2.1
285.07465	3.4
285.11057	2.2
287.23639	3.0
295.09692	3.0
297.07681	6.8
297.10825	1.6
298.08292	8.8
298.11884	3.6
299.09021	3.7
299.12729	8.7
300.09964	15.7
301.10422	2.1
302.04309	2.8
305.24756	3.1
309.11102	6.6
310.11771	3.0
313.10641	74.2
313.14322	41.9
314.10922	5.9
314.14645	4.5
317.06430	5.9
326.11438	4.5
327.12274	34.1
328.12769	3.2
329.09955	1.8
331.15366	16.5
332.15408	1.4
341.10373	2.8
341.13815	41.7
342.14090	4.0
345.06161	5.8
345.09485	1.4
359.10876	5.7
359.14835	100.0
360.08350	21.3
360.15048	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	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44641	1.4
55.01865	3.4
55.05512	8.6
56.96552	1.6
57.07071	3.6
65.03951	1.9
67.05502	20.8
68.99776	3.9
69.03416	4.0
69.07070	16.5
70.06589	2.9
71.04983	4.9
71.25204	3.2
73.02912	3.7
78.27900	1.2
79.05490	10.4
81.03415	3.0
81.07058	61.9
83.04968	4.7
83.08629	6.6
85.02892	5.1
85.06555	6.6
86.09718	3.3
90.45691	1.5
91.05446	8.8
93.07043	23.5
95.04967	8.2
95.08610	31.9
97.02872	1.9
97.06532	3.8
97.10152	3.0
99.08066	3.9
103.05477	4.0
105.07037	9.5
107.04965	4.1
107.08593	15.8
109.02875	2.2
109.06519	5.5
109.10153	34.5
111.00797	4.7
111.08094	8.5
111.11768	1.4
113.05998	1.7
115.05457	1.5
119.08603	8.8
119.09310	1.7
120.08058	1.4
121.02863	2.1
121.06501	1.3
121.10159	15.6
123.11708	37.0
125.05990	1.5
125.09663	2.2
127.03899	2.4
129.06996	3.4
131.04913	6.8
131.08549	2.7
133.06479	1.6
133.10139	6.6
135.04420	3.7
135.08105	2.0
135.11702	11.8
137.05974	30.6
137.09592	1.8
137.13245	4.0
139.03920	4.4
139.11142	2.1
141.12712	1.9
145.10150	3.1
146.33940	1.4
147.04402	4.5
147.11646	7.7
149.13261	5.3
151.03903	5.0
151.07564	3.2
151.11217	3.5
153.05437	3.2
153.12746	4.7
157.06503	1.6
157.10057	1.8
159.11691	4.9
160.05211	1.7
161.05998	2.6
161.13255	2.4
162.11279	1.4
163.03912	9.0
163.07536	12.1
165.12775	4.0
167.07030	2.5
175.07512	2.6
176.04639	3.0
177.05486	3.0
179.07033	2.4
181.04982	4.2
187.07599	2.3
187.13278	3.5
187.14848	2.4
189.09082	2.1
191.03365	16.0
191.06987	2.8
197.11685	3.1
203.03374	7.6
204.04202	2.9
219.02841	7.1
219.06485	9.7
221.08069	4.0
232.03716	3.3
233.04300	1.8
242.05515	1.6
243.06400	2.7
246.05208	1.9
247.06026	49.2
248.06323	3.4
249.18613	1.4
265.07962	1.6
269.08063	1.5
269.22552	2.6
271.05988	2.1
273.04169	1.6
275.09219	2.1
275.23492	1.9
283.02451	1.9
283.06046	1.3
287.23752	4.2
293.24722	3.2
298.04822	1.7
299.05551	5.0
300.10187	1.7
301.03455	6.3
305.24734	14.8
313.10736	6.7
313.14310	3.0
315.04929	1.7
316.05811	1.8
323.25845	6.4
326.03976	2.1
327.04797	1.6
327.12097	2.4
329.02899	12.7
330.03409	1.9
331.04419	7.3
331.07944	2.9
341.13733	5.3
344.05121	4.5
359.07614	100.0
359.14438	13.4
359.19754	2.4
360.08078	9.2
360.15186	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	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11982	1.4
55.01873	2.3
55.05505	4.3
55.16153	1.0
56.96606	1.1
57.03437	2.1
57.07082	2.2
65.03928	4.5
67.05501	12.8
68.10931	1.2
69.03436	2.8
69.07080	9.6
69.31496	1.0
69.45808	3.4
69.46222	6.9
70.04095	2.0
71.04992	2.2
79.05485	7.2
80.30831	1.1
81.03402	3.8
81.07066	20.9
83.04990	1.5
83.08609	2.9
84.84376	1.0
85.02908	5.0
85.06550	2.0
91.05476	8.5
93.07053	12.3
95.04959	4.8
95.08611	12.1
97.02892	1.9
97.06535	3.4
98.21553	2.6
99.04385	1.1
99.08193	1.1
105.07027	8.1
107.04940	4.0
107.08585	9.9
109.02857	1.7
109.06568	2.4
109.10155	24.7
110.03645	2.1
111.04450	5.1
116.78845	1.1
119.08581	4.0
121.02882	9.0
121.06448	2.0
121.10138	5.3
123.04424	1.8
123.11708	6.2
125.05959	4.4
127.03897	2.7
127.11168	1.7
129.07082	2.2
131.08556	2.4
133.10147	6.4
135.08051	5.1
135.11691	5.6
137.05983	4.5
137.13231	2.4
141.06964	1.5
144.05692	2.6
145.04904	1.5
145.06506	2.4
145.10114	3.2
147.04404	1.6
147.11653	2.9
149.02327	3.3
149.13252	4.8
151.11177	1.6
153.05551	5.6
159.08084	5.4
159.11664	3.4
160.97389	2.9
161.05988	3.0
161.09645	3.3
161.13304	2.2
162.06706	1.5
165.07025	4.3
166.07710	1.9
167.07036	5.6
167.08450	2.6
171.06544	1.5
175.14801	1.6
177.05467	3.5
177.06935	1.4
177.09129	1.6
177.12704	2.2
178.07759	2.1
179.08444	1.6
179.14403	1.4
180.05644	1.3
181.04971	24.2
181.06474	4.5
182.05399	1.2
182.07248	4.1
183.08131	2.6
185.09637	1.4
187.07625	1.8
191.08577	1.6
192.09271	1.6
193.10133	1.3
194.07201	2.7
195.08080	9.1
196.08649	1.3
197.05940	3.4
197.09709	2.3
198.06714	1.4
199.07480	1.3
202.07889	1.2
203.08556	1.2
206.07225	3.4
207.08089	3.9
208.08656	1.5
209.06000	3.8
209.09569	2.5
210.06783	7.6
210.10368	2.0
211.07425	6.0
212.08322	4.1
213.09135	2.7
219.08104	2.3
220.08818	1.5
221.09612	10.4
222.06725	2.7
222.10234	2.6
223.07547	9.0
224.08270	4.9
225.05403	2.8
225.09102	6.9
226.06140	2.6
227.07063	4.2
227.10732	2.5
234.06789	2.0
235.07558	3.0
237.05429	2.4
237.09105	6.8
238.06219	3.4
238.09789	8.3
239.06996	6.0
239.10628	3.0
240.07849	11.2
241.08556	3.7
242.05721	1.6
249.09154	6.7
250.09834	2.3
251.06952	6.0
252.07793	6.8
253.08626	24.5
253.12103	8.4
254.09171	5.5
255.06514	6.3
255.10199	7.5
256.00424	1.5
257.00864	1.3
257.08124	7.9
258.00131	8.0
265.08548	5.8
266.05869	1.5
266.09399	5.3
267.06744	2.0
267.10162	7.5
268.07272	4.9
269.08099	11.0
270.08783	6.0
279.10275	1.5
279.13565	2.3
281.08069	8.3
281.11737	9.8
282.08774	3.2
282.12280	2.9
283.05933	3.9
283.09644	15.0
284.10318	4.6
285.07550	3.2
285.11035	3.2
287.23587	1.6
293.24677	1.9
295.09808	2.4
297.07611	7.2
297.10950	2.7
298.08368	9.4
298.12030	3.3
299.09219	3.1
299.12738	8.2
300.09891	18.6
300.12955	1.4
301.10312	3.5
305.24857	4.3
309.11172	7.4
310.11853	1.8
311.09256	2.1
313.10696	76.6
313.14368	51.4
314.11044	7.4
314.14761	4.5
326.11520	6.5
327.08536	2.0
327.12259	36.7
327.15988	2.6
328.12808	4.7
331.15387	18.3
332.15686	1.6
341.09882	2.4
341.13828	42.3
342.14151	5.1
359.11066	4.8
359.14893	100.0
360.08221	1.4
360.15323	13.4
360.21887	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01878	2.3
55.05494	1.4
55.39302	0.7
56.96558	2.0
57.03438	2.9
57.07092	1.3
58.39621	0.8
59.04995	1.4
61.02935	6.5
66.30266	0.9
67.05502	4.0
69.03429	12.4
69.07076	1.8
70.06591	5.3
70.66628	0.8
71.05010	2.1
71.57349	0.9
71.57709	1.0
72.08160	10.2
73.02916	2.2
75.04439	1.0
79.05508	2.3
81.03424	7.2
81.07072	2.4
83.04987	1.5
83.91092	0.9
84.04505	2.4
84.08149	3.7
85.02908	38.1
86.03293	0.9
86.09712	4.3
87.04478	2.2
90.86228	0.9
91.03952	3.2
91.05453	5.0
93.07029	5.0
95.04964	2.9
95.08606	4.5
97.02900	11.7
97.06545	1.8
98.97594	2.0
99.04445	2.3
105.07043	6.7
107.04956	2.2
107.08599	46.0
108.08913	1.6
109.02892	7.6
109.06531	2.0
109.10162	9.5
111.04494	0.9
112.08747	1.3
114.10287	2.3
116.30786	0.8
116.98621	1.6
119.04922	0.9
119.08586	3.9
120.08111	1.2
121.06519	2.0
121.10136	2.4
123.04401	1.3
123.08108	1.0
123.11736	1.2
127.03935	12.2
128.06154	0.8
129.68597	1.0
130.06520	0.8
131.04980	1.3
133.02888	1.3
133.10141	19.5
134.99727	1.3
135.11696	9.7
137.02347	3.9
137.05977	5.6
137.09624	5.2
139.03937	2.0
143.11798	4.6
145.04962	10.1
149.05937	1.4
151.07617	1.0
151.11182	3.7
157.07550	0.9
161.06023	1.0
161.09613	5.2
163.02725	0.8
163.03934	4.2
163.05952	1.0
163.07530	1.2
167.07066	1.5
171.11302	2.6
175.07602	1.6
177.00726	0.9
177.05513	1.1
179.10681	21.1
181.04982	2.0
189.12354	1.6
193.16182	0.9
197.11736	100.0
198.12090	2.9
211.07390	1.0
223.09158	1.6
255.06664	0.8
265.55447	0.9
344.09286	1.1
359.11835	2.2
359.16693	12.4
360.16391	1.0
363.03955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03944	0.7
54.62477	0.3
55.01874	0.7
57.03423	1.6
57.07070	0.4
57.52258	0.3
61.02921	3.0
67.05508	1.0
69.03439	5.4
70.87109	0.9
71.04987	0.7
73.02946	0.7
79.05498	1.2
81.03425	2.9
81.07066	0.9
85.02911	25.1
87.04486	1.1
91.03952	1.0
91.05494	2.7
93.07050	5.2
95.04982	1.6
97.02895	6.1
99.04450	0.9
105.07043	4.6
107.08602	15.5
109.02892	3.3
109.06540	1.0
109.10162	1.3
112.32286	0.3
119.08604	2.1
121.06508	1.8
123.04417	0.7
123.11759	0.5
127.03938	5.1
133.10146	15.3
134.10553	0.6
135.11705	17.4
137.06029	0.6
137.09605	1.0
143.08549	0.4
145.04956	2.9
151.11154	1.7
161.09645	8.9
179.10686	30.6
180.11018	1.7
197.11745	100.0
198.12074	3.0
237.30492	0.3
314.56931	0.3
359.16733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03514	0.3
55.01855	0.8
55.04720	0.4
55.05502	0.4
57.03427	1.0
60.85663	0.3
61.02911	1.5
67.05490	0.8
69.03430	2.4
69.28971	3.9
73.02908	0.9
79.05491	1.4
81.03401	1.0
81.07054	1.3
85.02905	9.7
86.03233	0.3
87.04455	0.6
91.03988	0.5
91.05444	2.4
91.68139	0.3
93.07050	5.3
95.04974	0.4
95.08576	1.1
97.02875	2.0
97.06522	0.4
99.04457	0.5
105.07030	6.1
107.08596	29.3
108.08901	0.4
109.02881	0.9
109.06504	0.8
109.10158	1.4
119.08594	4.2
119.09372	0.5
121.06495	0.8
121.08276	0.3
121.10137	5.8
123.08075	0.3
123.11679	0.4
125.09625	0.5
127.03907	1.6
131.08549	0.9
133.06505	0.4
133.10133	15.8
134.10483	0.5
135.11720	0.6
137.05963	1.5
137.09610	0.6
139.03874	0.4
139.07561	0.9
143.08566	0.5
145.04967	1.4
149.09615	4.1
151.07564	0.9
151.11191	7.5
153.05502	0.7
161.09621	5.7
167.10680	14.4
179.10672	18.1
180.10994	0.6
187.07449	0.3
197.11734	100.0
198.12082	2.8
219.09918	0.3
287.65204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1337
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.03940	1.4
55.01852	2.6
55.05500	1.7
57.03429	1.6
61.02911	1.3
67.05508	2.5
69.03426	4.1
69.07076	2.2
69.72501	8.4
70.06585	4.3
72.08160	14.0
73.02923	14.9
81.03423	2.6
81.07054	2.8
83.06090	3.1
84.04501	3.4
84.08122	1.3
85.02911	9.8
86.09707	25.8
91.03947	1.6
91.05453	3.0
97.02914	2.2
97.06538	2.4
103.05466	3.8
105.07024	2.0
107.04966	1.5
107.08607	1.4
109.02876	2.2
109.06528	1.8
111.04466	1.9
114.10294	2.8
118.08727	1.4
123.04434	2.0
125.05144	2.6
125.06000	24.5
127.03892	3.2
129.10202	1.5
131.04932	9.5
132.10240	2.3
135.08122	1.2
137.05991	9.1
138.09154	2.4
139.03882	2.0
143.11819	5.2
147.04416	1.6
151.03905	59.9
151.04985	3.7
151.07568	1.6
161.05994	1.9
163.03922	1.9
163.06276	1.5
163.07590	4.8
167.07034	2.5
175.07527	2.8
179.07030	19.3
179.08513	1.4
179.10530	2.6
180.07813	2.6
181.04984	2.4
181.08467	2.1
182.12886	2.5
183.11281	2.6
191.06998	2.8
196.14651	1.4
197.08099	69.8
197.11584	3.1
198.08675	2.3
200.13950	1.9
203.13956	2.3
205.06520	1.6
208.09810	2.8
216.17686	1.3
265.08652	1.9
270.18274	2.1
273.17020	1.4
279.10025	1.9
316.17572	1.5
319.75299	1.3
327.52509	1.4
341.10571	1.5
341.22391	2.1
359.16803	100.0
360.17139	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	359.1126
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
54.30871	0.1
55.05476	0.1
55.69614	0.1
57.03416	0.4
61.16933	0.1
67.05483	0.1
69.03391	0.1
69.07067	0.2
69.95175	0.8
72.35192	0.1
79.05504	0.3
81.07026	0.4
85.02910	0.2
91.05457	0.2
93.07018	0.3
95.04955	0.3
95.08598	0.5
97.02836	0.2
103.05433	0.1
105.03387	0.5
105.07033	0.2
107.04942	0.4
107.08562	0.2
109.02878	0.3
109.10151	0.2
111.04408	0.2
117.46838	0.2
119.04923	0.2
119.08581	0.2
121.02876	1.4
121.06440	0.2
121.10165	0.2
123.04417	0.3
123.11687	0.1
125.02370	0.3
126.47054	0.1
127.68893	0.1
133.02858	0.3
135.04410	0.2
137.05994	0.3
138.06741	0.3
147.04405	0.3
148.05183	0.1
149.02309	0.4
151.03929	0.7
153.05550	0.3
153.88446	0.1
161.05971	0.3
163.03886	0.2
163.07408	0.2
165.05522	0.8
167.03418	3.3
171.80226	0.1
176.04614	0.2
179.03435	1.3
181.04982	0.2
181.12292	0.1
184.05270	0.1
189.09073	0.2
193.04887	0.2
193.27121	0.2
197.04434	0.5
197.11646	0.2
199.07521	0.2
203.03391	0.2
207.02927	0.2
211.07722	0.2
211.47313	0.1
212.04703	0.2
215.07062	0.1
217.08650	0.3
221.09537	0.1
227.07057	1.0
230.05760	0.4
231.06435	0.2
239.07114	0.2
240.04085	0.2
241.04941	0.2
242.05624	0.3
243.06506	0.7
245.08109	1.3
253.05008	0.1
253.08713	0.2
254.05795	0.2
255.06580	1.9
256.07266	0.3
257.04453	0.4
257.08112	0.4
258.05231	3.3
259.05948	0.5
267.06595	0.1
268.03708	0.3
269.04443	0.6
269.08115	0.2
270.05188	0.3
271.06094	0.6
272.06842	0.9
273.07596	4.3
274.07947	0.2
283.06049	4.3
284.03217	0.3
284.06253	0.3
285.07584	2.0
286.04752	3.7
286.07706	0.2
287.05301	0.2
297.03949	1.3
297.07498	0.3
298.04742	1.1
298.08374	0.6
299.05533	2.6
299.08929	0.3
300.06332	1.3
300.09592	0.2
301.07080	25.8
302.07501	1.0
309.11182	0.2
311.05490	0.7
313.07068	1.7
313.10660	0.6
313.14182	0.3
314.04227	1.0
314.07648	0.3
315.04987	0.3
315.08606	2.1
316.05722	0.3
316.09338	0.5
327.05032	0.5
327.12112	0.2
328.05832	1.4
329.06564	19.4
330.07114	1.5
341.13846	0.5
343.08130	6.4
344.08920	49.2
345.09229	2.1
359.11261	100.0
360.11627	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	358.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	29.3
56.96558	34.5
57.03408	20.0
67.05494	63.7
69.03403	24.6
69.07068	46.8
70.04047	19.6
71.04990	43.3
71.60143	32.7
79.05486	55.1
79.12922	16.0
81.03390	18.2
81.07052	67.6
85.02904	29.7
85.06533	24.4
91.05479	60.5
93.07030	40.9
95.04949	38.5
95.08595	54.7
97.02874	26.4
97.06525	100.0
103.05484	20.8
105.07029	67.3
107.08607	47.7
109.02876	18.0
109.06537	26.8
109.10170	57.1
113.06001	25.6
115.07534	33.7
119.08553	34.8
127.02979	17.4
131.04973	25.1
133.10149	67.0
135.04437	21.5
135.11676	24.7
137.05980	49.0
145.10159	32.1
147.04321	18.2
151.03928	17.4
151.11134	26.9
154.06795	17.6
158.97626	25.6
167.07185	20.4
171.80272	19.8
177.12750	24.9
197.11670	25.2
224.68602	18.9
256.00427	49.6
269.10547	18.6
274.24393	20.4
287.11499	20.4
301.07040	23.1
305.17465	42.2
340.12756	37.5
344.08923	27.2
358.13574	33.2
358.25497	22.4
359.11227	73.5
359.15005	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	359.1125
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
63.74694	0.6
69.48567	1.1
69.48980	4.0
75.22922	0.6
81.35363	0.5
121.02892	1.1
132.27303	0.7
144.05666	0.5
165.05475	0.7
167.03401	2.5
179.03400	1.1
197.04507	0.8
245.08231	1.3
255.06581	1.6
258.05267	2.8
272.06757	1.0
273.07614	2.4
283.05978	3.7
284.06931	0.6
285.07587	1.7
286.04810	2.3
297.03943	1.2
298.04700	1.0
298.08438	0.7
299.05524	2.1
300.06186	1.1
301.07080	25.1
302.07339	1.7
313.07153	1.8
314.04395	0.9
315.08585	2.1
328.05801	1.2
329.06564	18.2
330.07156	1.7
343.08191	5.5
344.08939	48.9
345.09195	3.6
359.11273	100.0
360.11572	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.41938	4.2
53.80155	3.9
54.23469	3.2
55.01857	3.4
55.05509	53.6
57.03427	15.4
57.07077	37.6
57.41138	3.3
58.28140	3.3
61.59429	3.7
62.27239	3.7
67.05502	72.0
69.07068	95.3
70.06605	5.8
71.08638	24.5
79.05494	40.2
80.95409	3.7
81.06579	5.4
81.07056	100.0
83.04983	3.8
83.08617	52.3
85.10183	13.2
91.05454	4.6
93.07049	51.0
93.45927	3.4
95.08608	86.1
97.06513	23.1
97.10173	42.4
98.20771	7.2
103.03941	6.0
107.08591	43.6
109.09538	5.3
109.10173	45.1
111.08089	8.3
111.11723	12.9
113.09670	4.0
114.95620	3.8
115.21286	3.5
121.09311	5.4
121.10152	73.4
123.11712	16.8
125.09652	4.4
135.11696	62.3
137.13284	8.7
139.11154	4.4
143.10564	4.0
149.13263	26.8
151.14833	8.3
163.07518	5.2
163.14847	16.1
165.16434	10.0
177.16380	10.1
191.17984	4.7
229.23853	4.4
247.24207	82.1
260.53824	3.9
265.25305	87.1
283.26276	9.6
339.28943	69.7
357.24213	5.4
357.30719	5.6
357.35510	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03957	3.4
55.05267	4.6
55.05512	71.4
55.55438	2.8
56.05837	4.1
57.03442	14.4
57.07077	42.9
61.48507	2.6
67.05170	4.3
67.05505	65.8
69.07068	87.2
69.90293	2.7
70.06580	8.4
70.67403	7.5
71.04991	4.1
71.08620	21.0
75.04472	4.0
79.05494	46.5
81.07057	74.9
83.08615	68.2
85.06535	3.3
85.10165	12.8
86.96671	2.5
88.07623	11.3
89.07997	3.0
91.05479	6.9
93.06467	5.2
93.07041	64.3
95.04987	3.6
95.08612	87.5
95.28102	2.5
97.06530	26.9
97.10172	40.4
99.48725	2.5
101.47638	2.8
103.03914	4.7
103.09605	2.9
105.06997	2.8
106.08659	4.7
106.09333	2.8
107.08584	34.8
109.10155	42.1
111.05549	2.6
111.08086	10.3
111.11704	11.3
121.10143	86.2
123.07966	2.9
123.11739	14.7
125.09628	7.2
125.13179	5.2
135.11696	63.2
137.13194	6.5
139.11172	8.2
149.13274	24.8
151.14827	6.0
153.12820	5.4
163.14803	14.8
165.16367	8.4
172.03120	2.5
177.16379	8.6
181.15906	4.7
191.17947	6.2
205.19510	3.2
213.71921	2.5
231.64925	2.7
247.24213	84.7
261.98288	3.2
265.25287	76.9
268.22964	2.6
278.89899	2.8
283.26468	6.1
339.28964	67.5
339.34702	3.5
357.30127	10.6
357.35556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03942	8.6
55.05515	55.5
57.03429	15.3
57.07079	48.5
64.87508	6.0
67.05515	75.0
69.07070	95.3
71.08627	20.6
71.58645	11.3
71.59075	9.5
71.59427	8.2
79.05482	45.7
81.07064	100.0
83.04954	7.2
83.08616	66.8
85.10177	11.6
91.05457	8.6
93.07036	53.6
95.08613	95.6
97.06523	30.9
97.10162	41.4
107.08586	36.4
109.10165	48.2
111.08056	11.3
111.11696	13.0
121.10162	74.1
123.11715	21.0
125.09653	8.3
131.08539	6.7
135.11705	65.6
137.13188	6.1
139.11209	7.7
149.13292	28.7
163.14806	13.8
165.16371	7.5
247.24269	80.1
265.25327	74.0
339.28854	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	Monoolein
Peak:m/z	Relative Intensity
55.01864	1.9
55.05515	48.4
57.03440	7.7
57.07079	26.8
58.70036	1.5
67.05510	37.7
69.07073	59.0
69.90641	8.4
70.06596	9.9
71.05006	2.3
71.06915	2.2
71.08644	13.9
79.05499	22.0
79.24270	1.6
81.07064	50.1
83.04958	1.7
83.08628	40.2
85.06545	3.7
85.10180	8.3
88.07636	11.9
89.07978	2.5
91.05505	1.9
93.07052	29.4
95.08614	50.5
97.06543	15.4
97.10171	25.5
98.20826	2.6
102.09155	2.9
103.03947	3.8
103.30721	1.7
105.07072	1.7
105.61130	1.5
105.88007	1.8
106.08668	4.0
107.08585	25.1
109.09480	1.7
109.10171	25.7
111.08098	6.3
111.11729	8.4
113.09678	1.6
121.09311	3.2
121.10155	46.5
121.80276	1.7
122.86978	1.9
123.11695	6.8
125.09637	3.9
135.11697	40.2
137.13257	6.2
139.11172	4.1
149.13277	18.3
151.14824	5.7
153.12770	4.1
163.14835	7.4
165.16350	3.8
167.14310	1.8
177.16376	4.4
185.15446	1.8
189.01968	2.0
190.21007	2.1
191.17952	3.1
247.24245	42.4
265.25269	54.8
283.26508	3.8
335.20795	3.9
339.28955	38.6
339.34512	4.7
353.21701	3.3
357.30301	10.1
357.35559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
55.05509	15.6
55.16157	1.2
57.03437	3.2
57.07069	3.6
58.84475	1.2
58.99591	2.1
61.02922	2.7
67.05510	9.7
69.03439	11.1
69.07071	23.0
69.96646	7.2
70.06593	2.0
71.01366	1.5
71.04993	4.5
73.02898	1.9
79.05495	12.4
81.03424	5.1
81.07064	27.6
83.04990	4.7
83.06122	2.8
83.08634	9.9
84.04502	2.3
84.08145	2.0
85.02906	17.6
85.06562	5.8
91.05460	9.5
93.07048	25.1
95.04977	7.6
95.06079	1.6
95.08613	66.5
97.02905	7.4
97.06524	4.0
97.10170	8.7
98.20807	1.3
98.97588	1.5
99.04485	2.6
99.08096	17.3
103.03934	2.5
105.07030	20.8
107.04964	3.1
107.08599	48.9
109.02861	2.1
109.06527	5.2
109.10161	17.4
111.04441	2.2
111.05582	1.7
111.08088	4.9
111.11703	3.8
113.09638	3.7
115.03914	2.5
117.07046	3.1
119.04958	1.3
119.08588	21.4
121.06490	2.5
121.10146	80.0
123.04435	3.0
123.08064	3.9
123.11719	25.7
125.05969	2.1
125.09671	1.5
127.03899	3.7
129.05540	2.7
129.06625	2.0
131.08540	8.5
132.73557	1.4
133.06532	1.6
133.10129	18.0
135.08046	3.4
135.11708	22.0
137.05998	2.4
137.09627	2.8
137.13274	3.5
139.11217	3.0
143.08586	5.7
145.04970	2.2
145.06546	1.5
145.10118	10.7
147.08057	1.3
147.11732	11.1
149.02266	1.4
149.05942	1.5
149.09641	3.0
149.13264	7.1
150.12733	1.7
151.07570	1.6
155.08592	1.6
156.09413	1.7
157.10149	7.0
159.08020	1.7
159.11719	15.0
161.05908	1.6
161.09598	1.8
161.13284	11.6
163.14838	12.4
164.42427	1.3
167.07115	1.4
169.10078	1.7
171.11734	4.3
173.13258	7.2
175.11320	1.7
175.14842	13.8
177.05583	1.4
177.09186	2.6
177.16399	100.0
178.16756	2.4
179.08481	1.6
179.10620	1.6
181.08704	1.9
183.11653	3.8
184.07988	3.4
185.09647	1.2
185.13281	3.5
187.11227	1.8
187.14761	6.7
189.16394	5.5
191.14433	2.1
193.15921	1.7
195.06052	1.4
195.17461	5.2
196.13354	4.1
197.13217	1.6
199.14842	4.1
201.10614	5.1
201.16380	9.6
203.14421	2.4
205.15894	3.2
207.17445	3.1
209.13383	2.1
211.14767	1.3
213.16379	3.6
215.14165	1.6
217.15831	3.4
219.17470	5.6
227.14377	4.4
231.17480	4.5
237.02823	1.5
243.17438	4.5
255.17404	1.4
261.14972	1.4
261.18579	3.3
263.16528	1.9
267.17511	2.7
273.18500	2.1
279.19543	1.7
285.18539	7.6
303.19562	10.9
318.03729	4.8
321.20578	11.8
339.22037	6.0
340.04269	1.2
357.15469	1.3
357.22812	14.0
358.05612	2.9
358.14206	7.3
380.89182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.6
55.05510	17.2
56.96570	3.1
57.03443	3.2
57.07083	6.0
61.02912	4.5
62.73081	2.8
67.05503	16.0
69.03423	10.0
69.07070	52.1
70.06597	4.7
71.04990	8.1
71.60258	3.9
73.02926	3.1
79.05480	14.2
79.61984	2.5
81.03445	13.1
81.07049	37.9
83.04979	11.7
83.08617	10.7
85.02914	23.5
85.06557	10.1
86.09705	4.3
91.05454	12.6
93.07038	26.3
95.04971	7.1
95.08608	100.0
97.02888	7.7
97.06532	7.5
97.10162	5.2
99.04458	4.8
99.08096	27.8
101.64462	2.7
103.03965	3.9
105.07039	17.5
107.04955	4.5
107.08590	44.9
109.06528	10.0
109.10149	28.3
111.04430	4.6
111.08090	16.9
111.11724	36.5
113.09608	5.2
115.03972	2.9
117.03392	5.2
119.08571	14.6
121.06496	6.2
121.09315	4.1
121.10153	71.3
122.03613	4.5
123.08110	7.1
123.11716	39.1
125.05981	3.0
127.03914	3.9
129.07018	3.3
131.04922	4.8
131.08586	7.5
133.06468	3.1
133.10118	14.2
135.08017	3.2
135.11693	15.4
135.66922	2.9
137.05975	45.7
137.09578	5.6
137.13260	5.9
139.07607	2.9
139.11188	6.4
143.08585	3.3
145.02832	10.0
145.04953	3.4
145.10143	9.3
147.11719	12.2
149.06000	5.3
149.09579	3.5
149.13271	10.5
151.11195	3.4
153.05492	4.8
154.06244	3.4
157.10152	7.4
157.38634	2.7
159.08087	3.2
159.11731	9.4
161.06010	6.4
161.13307	11.4
163.07545	4.4
163.11232	4.9
163.14842	8.7
165.09152	5.4
167.07013	8.6
173.13260	4.0
175.07533	4.6
175.14833	9.3
177.05484	31.6
177.09099	8.7
177.12920	3.6
177.16394	78.3
178.05649	2.7
187.14867	5.9
189.16432	5.6
193.12418	3.2
195.06494	12.8
195.10158	3.8
195.17445	9.4
199.14775	6.4
201.16434	3.8
203.07071	5.0
209.13293	3.6
217.15758	3.0
219.17456	8.2
237.18625	3.0
261.18478	3.2
265.08600	3.6
279.10117	2.9
283.09494	2.8
285.18411	4.4
297.11200	5.0
303.19495	9.7
307.09637	5.4
321.20334	12.7
325.10611	9.8
339.12164	3.7
339.21658	12.5
357.09692	2.7
357.13327	27.0
357.18765	42.4
357.22797	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	357.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01876	8.2
55.05261	3.0
55.05514	45.1
56.96568	4.5
57.03435	3.6
60.15023	1.7
61.01148	3.1
61.64967	1.9
65.03979	2.1
67.05505	26.9
69.03435	7.0
69.07063	12.7
69.94572	11.0
71.04985	2.5
79.05501	24.7
81.03420	6.2
81.06580	3.9
81.07062	68.4
83.04987	10.6
83.08620	28.3
84.08155	17.0
85.02898	3.5
85.06560	2.3
87.02719	4.2
89.04260	1.8
91.05463	11.2
93.07053	15.2
95.04968	11.9
95.08618	9.9
97.02906	4.3
97.06561	2.2
97.10176	52.6
98.21445	2.2
98.85979	1.9
105.07033	13.6
107.04980	2.0
107.08598	26.3
109.06532	5.6
109.10165	7.2
111.04463	8.7
111.08096	4.8
117.07035	7.2
119.08606	14.8
121.06532	5.5
121.10135	10.7
123.08075	41.6
125.09640	43.1
127.02149	6.7
129.07362	13.1
131.08574	6.7
133.10127	4.4
135.08070	8.3
135.11713	5.0
137.09641	5.3
143.08585	2.8
143.10680	3.7
145.10104	9.4
147.08066	8.9
153.07280	2.4
153.09149	4.1
153.12784	3.7
157.10136	2.2
159.11708	3.0
161.09627	5.5
163.11180	6.5
171.10181	4.9
171.11755	2.1
173.09727	2.0
175.14818	1.9
181.12253	3.7
189.11227	38.3
189.12878	2.3
191.10690	4.2
193.12218	2.2
218.65315	1.7
223.13300	5.3
227.12813	4.4
227.17888	2.1
249.15076	2.0
255.17554	3.0
263.20053	2.4
267.08875	2.4
273.18506	28.2
285.10126	3.7
291.19553	100.0
292.20001	3.1
294.28000	2.4
321.18655	2.5
339.19962	8.6
357.20691	27.0
357.31152	4.4
358.16461	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	357.1182
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.10036	0.6
53.88770	0.5
55.05486	1.0
57.03428	0.7
57.82392	0.6
60.40345	0.6
67.05495	1.3
67.37346	0.5
69.03434	1.5
69.07058	1.5
70.06193	3.0
79.05495	1.5
81.03419	2.8
81.07052	2.6
83.04987	0.7
83.08635	0.8
85.02912	2.8
86.30315	0.8
89.03915	5.3
91.05495	1.6
91.31256	0.6
93.07015	1.2
95.04984	0.8
95.08614	1.6
95.77936	0.6
98.21435	0.8
100.76041	0.5
105.07027	1.1
107.08592	1.9
109.02882	1.4
109.06430	0.6
109.10138	1.5
111.04487	0.7
117.03385	19.6
119.04916	1.1
121.10130	0.9
123.04442	0.8
131.08545	0.6
132.18956	0.6
133.10098	0.7
134.03613	1.5
135.04405	2.4
137.05975	3.0
145.02852	55.4
146.03197	1.7
147.04214	0.6
147.11653	0.7
149.05984	8.5
157.56421	0.7
161.06102	0.7
163.03806	0.9
163.07558	0.8
167.07065	1.3
177.05482	100.0
178.05838	2.2
186.05511	1.9
195.06543	2.7
231.06468	0.9
256.00372	0.7
307.09744	0.7
309.11749	0.7
321.09805	2.7
327.12317	0.9
339.10968	2.8
357.09479	1.2
357.13278	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05511	0.7
57.03437	0.7
58.68652	0.6
61.02936	0.6
67.05205	0.4
67.05511	2.1
68.39168	0.5
69.03432	1.2
69.07065	1.4
69.10909	0.4
70.06597	1.0
70.28153	1.9
71.04999	0.6
72.08151	0.6
72.26690	0.5
77.55854	0.5
79.05486	1.6
79.46202	0.4
81.03416	1.5
81.07066	2.5
83.05000	0.7
84.04518	1.0
85.02919	1.5
85.06525	0.8
86.09731	0.4
86.42223	0.4
91.05464	2.6
93.07042	2.2
95.04960	1.7
95.08607	3.5
97.02915	0.5
97.06599	0.5
98.97572	0.8
103.05502	1.2
105.07038	3.0
107.04937	2.5
107.08604	1.7
109.02856	1.0
109.06530	0.6
109.10155	1.5
111.04476	0.6
115.05485	0.8
116.98643	0.6
117.03387	1.6
117.07059	1.1
118.04193	0.5
119.04985	0.7
119.08566	1.0
121.06539	3.9
121.10125	1.4
123.04381	0.8
123.08130	0.7
123.11745	1.1
127.03973	0.6
129.07028	0.9
131.04971	1.4
131.08565	0.9
133.06490	1.3
133.10150	0.8
134.99599	0.6
135.04430	0.7
135.08084	0.9
135.11729	1.2
137.02383	0.4
137.05986	7.8
137.06953	0.9
137.09563	0.6
139.11165	0.6
143.04904	0.7
143.08575	0.5
145.02878	4.0
145.06499	1.4
145.12810	0.5
147.08041	0.8
149.05995	1.4
149.09636	1.2
149.13226	0.9
151.03920	3.9
151.07559	1.2
153.05493	1.4
161.05994	5.3
162.06731	0.8
163.07535	2.4
165.05457	0.7
165.06816	0.8
165.09184	0.6
167.07053	4.0
171.08028	0.6
175.07594	2.0
177.05492	10.5
177.09117	12.7
178.05017	2.0
178.09509	0.6
181.06439	0.7
187.07607	0.6
188.04494	0.6
189.09085	0.6
191.07109	1.1
191.08659	1.2
193.08597	3.5
194.07208	0.9
195.03220	1.1
195.06546	3.8
195.07846	0.7
196.06139	0.7
203.07039	3.2
203.10681	1.6
205.06573	1.1
205.08609	1.6
209.09656	0.6
215.06989	0.7
218.07257	0.6
219.08051	1.8
221.05894	0.7
221.84477	0.6
222.06702	1.1
223.07587	1.1
224.08490	0.6
225.09076	0.9
233.08092	1.8
235.07506	0.9
236.08278	1.4
237.09181	2.2
237.93655	0.5
239.07251	0.9
241.08560	0.8
247.07553	2.0
249.05557	0.7
250.06265	1.3
251.06967	1.5
252.07861	1.4
253.08705	1.5
255.10175	0.7
261.09293	0.7
263.07077	0.9
264.07785	1.2
265.08618	4.0
266.09079	1.3
267.10107	1.1
277.08731	0.8
279.06744	0.9
279.10159	0.9
281.08072	2.2
282.08850	1.6
283.09619	1.7
284.10529	0.7
291.49945	0.5
292.07208	0.9
293.08154	0.6
295.09402	0.7
296.10126	0.8
297.11234	7.2
298.11542	1.1
307.09631	2.1
309.11279	0.9
310.08203	0.8
311.12738	2.0
313.10577	0.8
315.12393	0.8
321.10693	0.7
321.24197	0.8
325.10739	9.8
325.14316	0.6
326.11069	1.0
327.12326	1.9
329.14276	0.8
339.12347	2.7
357.13458	22.8
357.18842	100.0
358.13626	1.8
358.19177	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	357.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.05507	2.9
56.96592	0.9
67.05495	2.5
69.03427	2.7
69.07069	3.3
70.06591	1.5
71.04977	1.3
71.59553	1.8
71.60262	0.9
74.14548	0.8
74.42420	0.9
79.05484	3.6
81.03419	5.0
81.07061	8.7
83.04988	0.9
83.08637	2.3
84.04521	4.8
84.08124	0.8
85.02910	2.3
89.03914	5.7
91.05463	6.2
93.07035	3.8
95.04949	1.9
95.08596	3.6
97.02917	0.9
97.06501	1.1
97.10139	1.6
99.04491	0.9
100.11250	4.0
103.05419	0.8
105.07023	4.2
107.04959	1.8
107.08579	3.5
108.08096	1.6
109.02874	2.4
109.06527	1.2
109.10136	3.2
110.06043	0.9
114.05485	1.3
114.09140	5.7
115.05425	1.3
117.03387	16.3
117.07014	1.0
119.08568	2.6
121.06519	4.2
121.10143	2.7
123.04432	1.4
123.08041	1.3
123.11706	1.9
127.03869	1.1
128.07138	0.9
130.05002	3.5
131.04918	1.7
133.06425	1.7
133.10143	1.2
134.03595	1.6
135.04413	1.9
135.11676	1.2
137.05966	9.5
141.11467	1.2
142.05019	2.3
145.02855	46.2
145.06520	1.0
146.03445	1.3
147.04446	1.2
149.05974	8.1
149.09645	2.4
149.13219	1.2
151.03947	6.5
151.07555	1.1
153.05489	1.5
156.06512	1.3
157.63341	0.9
161.05986	4.6
162.06776	2.1
163.03900	1.7
163.07523	1.3
165.05460	1.4
165.06963	0.9
167.07050	4.2
168.06543	1.4
172.37042	0.9
175.07507	2.5
177.05476	100.0
177.09027	16.8
178.05815	3.8
182.15439	1.7
186.05478	2.0
193.08649	5.9
195.06451	6.1
201.70166	0.9
203.06989	1.3
203.10641	2.2
204.66470	1.1
205.06526	1.3
205.08597	1.1
210.11244	3.7
210.14862	2.0
219.08141	1.8
221.06177	1.9
235.07469	2.2
236.08276	0.9
237.09123	1.2
237.10222	0.9
237.12357	7.0
244.13280	1.0
247.07571	1.2
251.07065	1.6
251.10464	1.0
253.08388	1.0
264.07858	1.3
265.08569	2.8
267.06424	1.1
277.08582	1.3
279.06754	0.9
279.10107	1.6
281.08020	1.5
284.20944	1.8
295.09662	1.0
297.11212	2.9
307.06052	1.1
307.09302	1.7
311.12900	1.0
313.10489	1.3
314.04382	1.1
321.09787	2.5
321.24243	1.3
325.10651	6.9
327.12338	1.8
329.13678	1.4
339.11340	3.6
357.06061	1.8
357.09735	2.0
357.13312	11.0
357.18649	2.7
358.13968	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1184
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
55.17163	0.3
56.96555	0.6
57.03440	0.6
69.03429	1.6
70.06586	1.7
71.04987	0.6
73.02913	0.8
79.05478	0.6
81.03407	1.6
81.07066	0.5
81.10439	0.3
84.04509	0.6
84.08150	1.9
85.02937	2.2
85.71653	0.4
86.09717	0.5
91.05479	1.4
94.04169	1.0
95.01336	2.5
95.04950	0.9
95.08631	0.7
97.02889	1.4
98.21517	0.7
98.97562	0.8
99.04424	0.6
103.29930	0.4
105.07034	0.5
107.04948	0.5
108.75714	0.4
109.06547	0.4
111.04469	0.6
112.08758	0.5
114.10339	0.3
116.07095	0.5
116.98656	0.4
119.04951	1.4
120.08060	0.4
121.06514	0.5
122.03656	4.0
124.30204	0.4
127.03908	0.6
130.08580	0.5
130.86368	0.4
131.04950	1.3
131.10725	0.5
132.04498	0.5
132.11035	0.5
135.09160	0.8
136.10019	1.8
137.05986	100.0
137.10742	1.1
138.06334	2.1
138.09123	0.8
141.01871	1.0
145.02853	0.4
145.05032	0.4
147.04486	0.4
147.08142	0.4
147.09148	1.9
147.11308	0.5
149.05966	0.4
149.09558	0.3
149.10722	0.8
151.03925	0.9
151.07564	1.4
153.05460	0.9
156.10202	1.0
160.05017	0.3
161.05864	0.4
163.07547	2.0
163.08678	2.2
167.07002	0.8
175.07538	0.5
175.08708	4.4
177.04033	0.5
177.05475	1.0
177.09053	0.5
181.04982	1.1
181.08623	2.7
186.70024	0.4
195.06487	0.6
195.10056	0.8
199.19170	0.5
202.00499	0.4
203.07083	0.5
262.13266	0.5
266.03159	0.4
271.16534	4.7
279.13492	1.1
297.14453	2.0
314.17084	4.1
339.11658	0.4
340.15030	0.6
357.15225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1181
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.03960	1.5
55.05507	2.9
56.96592	0.9
67.05495	2.5
69.03427	2.7
69.07069	3.3
70.06591	1.5
71.04977	1.3
71.59553	1.8
71.60262	0.9
74.14548	0.8
74.42420	0.9
79.05484	3.6
81.03419	5.0
81.07061	8.7
83.04988	0.9
83.08637	2.3
84.04521	4.8
84.08124	0.8
85.02910	2.3
89.03914	5.7
91.05463	6.2
93.07035	3.8
95.04949	1.9
95.08596	3.6
97.02917	0.9
97.06501	1.1
97.10139	1.6
99.04491	0.9
100.11250	4.0
103.05419	0.8
105.07023	4.2
107.04959	1.8
107.08579	3.5
108.08096	1.6
109.02874	2.4
109.06527	1.2
109.10136	3.2
110.06043	0.9
114.05485	1.3
114.09140	5.7
115.05425	1.3
117.03387	16.3
117.07014	1.0
119.08568	2.6
121.06519	4.2
121.10143	2.7
123.04432	1.4
123.08041	1.3
123.11706	1.9
127.03869	1.1
128.07138	0.9
130.05002	3.5
131.04918	1.7
133.06425	1.7
133.10143	1.2
134.03595	1.6
135.04413	1.9
135.11676	1.2
137.05966	9.5
141.11467	1.2
142.05019	2.3
145.02855	46.2
145.06520	1.0
146.03445	1.3
147.04446	1.2
149.05974	8.1
149.09645	2.4
149.13219	1.2
151.03947	6.5
151.07555	1.1
153.05489	1.5
156.06512	1.3
157.63341	0.9
161.05986	4.6
162.06776	2.1
163.03900	1.7
163.07523	1.3
165.05460	1.4
165.06963	0.9
167.07050	4.2
168.06543	1.4
172.37042	0.9
175.07507	2.5
177.05476	100.0
177.09027	16.8
178.05815	3.8
182.15439	1.7
186.05478	2.0
193.08649	5.9
195.06451	6.1
201.70166	0.9
203.06989	1.3
203.10641	2.2
204.66470	1.1
205.06526	1.3
205.08597	1.1
210.11244	3.7
210.14862	2.0
219.08141	1.8
221.06177	1.9
235.07469	2.2
236.08276	0.9
237.09123	1.2
237.10222	0.9
237.12357	7.0
244.13280	1.0
247.07571	1.2
251.07065	1.6
251.10464	1.0
253.08388	1.0
264.07858	1.3
265.08569	2.8
267.06424	1.1
277.08582	1.3
279.06754	0.9
279.10107	1.6
281.08020	1.5
284.20944	1.8
295.09662	1.0
297.11212	2.9
307.06052	1.1
307.09302	1.7
311.12900	1.0
313.10489	1.3
314.04382	1.1
321.09787	2.5
321.24243	1.3
325.10651	6.9
327.12338	1.8
329.13678	1.4
339.11340	3.6
357.06061	1.8
357.09735	2.0
357.13312	11.0
357.18649	2.7
358.13968	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1183
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.01873	2.8
55.05512	4.7
56.96557	2.3
67.05497	6.0
69.03429	6.0
69.07049	5.2
70.06592	4.2
71.04996	2.2
71.32136	2.7
71.32879	1.5
79.05483	6.3
81.03418	7.5
81.07050	9.2
83.04991	1.9
85.02891	4.1
89.03908	2.9
91.05470	3.8
93.07040	4.5
93.76500	1.6
95.04965	3.2
95.08603	5.8
97.02885	2.2
97.06519	3.7
99.04454	2.2
102.22514	1.9
103.05445	3.7
105.07023	2.9
107.04947	3.6
107.08600	5.1
109.02890	4.3
109.10133	6.2
111.04476	1.6
111.08080	1.7
112.08766	1.9
117.03382	16.5
119.08566	2.7
121.10117	2.5
123.11693	2.9
125.06049	1.8
127.03931	2.6
131.04860	1.8
133.10149	3.9
135.04376	2.5
135.11697	3.8
137.06000	18.6
145.01747	2.8
145.02858	39.7
145.10126	1.9
146.03221	1.7
147.04376	1.8
147.07962	2.2
147.11649	2.0
149.05978	7.0
149.13239	2.8
153.05469	2.4
161.06004	2.2
163.07570	4.1
167.07051	5.0
175.07610	4.4
177.05482	100.0
178.05904	2.6
186.05446	3.2
189.09058	2.1
195.06516	3.1
203.07011	3.8
219.08104	3.2
229.06071	3.4
253.08636	2.3
277.99884	1.7
283.09506	1.9
307.09598	3.3
313.10477	2.1
321.24249	1.9
325.10620	2.1
327.12283	3.4
339.12012	2.2
357.09637	2.6
357.13403	15.6
357.17188	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	357.097
Annotation	Petalostetin
Peak:m/z	Relative Intensity
53.03926	0.7
55.01844	2.0
55.05511	3.6
57.41637	0.4
67.05510	5.9
69.03406	2.9
69.07027	2.0
69.39687	0.6
69.78402	1.0
69.78814	3.1
71.04984	1.3
79.05500	3.5
81.07063	6.8
83.04957	1.1
83.08586	1.6
84.80061	0.5
85.06532	0.6
91.05476	3.0
93.07043	3.6
95.04973	3.7
95.08574	2.3
97.06501	1.3
97.10155	3.1
99.04437	2.0
105.07028	3.2
105.55058	0.5
107.04908	1.9
107.08566	2.2
109.06478	1.8
109.10153	4.1
111.04440	1.0
111.08068	0.7
117.07001	0.8
118.51280	0.5
119.08566	1.7
121.06466	1.6
121.10117	1.6
123.04438	0.7
123.08058	1.1
125.02367	5.5
125.09659	2.6
129.06990	0.7
131.08557	1.1
132.05661	1.7
133.10097	0.9
135.08066	1.2
137.05971	1.1
137.09627	4.6
144.09242	0.6
145.10103	0.6
147.11641	1.6
160.05171	3.3
163.03853	1.3
163.07526	1.4
163.11134	0.9
165.12770	0.6
167.03430	0.7
169.12254	2.4
175.07547	10.1
177.05246	0.6
187.03879	1.1
188.04649	0.7
189.11229	0.9
197.06061	1.1
198.06725	0.8
203.03386	3.0
203.07050	8.1
213.09062	1.3
215.03435	1.0
215.07068	0.9
217.04961	1.2
226.06226	0.7
227.07030	1.0
231.06528	78.0
232.06851	1.6
235.06036	1.7
237.05521	0.6
239.12799	1.3
241.08675	2.6
242.09317	0.9
243.06503	0.8
253.04881	0.7
255.06554	1.4
259.06042	1.0
267.06561	1.3
269.08127	1.6
270.08936	1.4
273.11191	2.2
275.20056	2.3
281.04529	0.8
283.09500	0.7
285.07434	0.9
286.08154	0.7
287.09088	2.1
296.06735	1.3
297.07574	2.4
301.10703	4.3
313.07025	1.1
314.07999	0.8
325.07199	1.2
327.04840	1.6
329.10214	6.9
339.19797	1.0
341.06705	0.9
342.07312	0.7
357.09702	100.0
358.10025	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	357.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.05507	2.9
56.96592	0.9
67.05495	2.5
69.03427	2.7
69.07069	3.3
70.06591	1.5
71.04977	1.3
71.59553	1.8
71.60262	0.9
74.14548	0.8
74.42420	0.9
79.05484	3.6
81.03419	5.0
81.07061	8.7
83.04988	0.9
83.08637	2.3
84.04521	4.8
84.08124	0.8
85.02910	2.3
89.03914	5.7
91.05463	6.2
93.07035	3.8
95.04949	1.9
95.08596	3.6
97.02917	0.9
97.06501	1.1
97.10139	1.6
99.04491	0.9
100.11250	4.0
103.05419	0.8
105.07023	4.2
107.04959	1.8
107.08579	3.5
108.08096	1.6
109.02874	2.4
109.06527	1.2
109.10136	3.2
110.06043	0.9
114.05485	1.3
114.09140	5.7
115.05425	1.3
117.03387	16.3
117.07014	1.0
119.08568	2.6
121.06519	4.2
121.10143	2.7
123.04432	1.4
123.08041	1.3
123.11706	1.9
127.03869	1.1
128.07138	0.9
130.05002	3.5
131.04918	1.7
133.06425	1.7
133.10143	1.2
134.03595	1.6
135.04413	1.9
135.11676	1.2
137.05966	9.5
141.11467	1.2
142.05019	2.3
145.02855	46.2
145.06520	1.0
146.03445	1.3
147.04446	1.2
149.05974	8.1
149.09645	2.4
149.13219	1.2
151.03947	6.5
151.07555	1.1
153.05489	1.5
156.06512	1.3
157.63341	0.9
161.05986	4.6
162.06776	2.1
163.03900	1.7
163.07523	1.3
165.05460	1.4
165.06963	0.9
167.07050	4.2
168.06543	1.4
172.37042	0.9
175.07507	2.5
177.05476	100.0
177.09027	16.8
178.05815	3.8
182.15439	1.7
186.05478	2.0
193.08649	5.9
195.06451	6.1
201.70166	0.9
203.06989	1.3
203.10641	2.2
204.66470	1.1
205.06526	1.3
205.08597	1.1
210.11244	3.7
210.14862	2.0
219.08141	1.8
221.06177	1.9
235.07469	2.2
236.08276	0.9
237.09123	1.2
237.10222	0.9
237.12357	7.0
244.13280	1.0
247.07571	1.2
251.07065	1.6
251.10464	1.0
253.08388	1.0
264.07858	1.3
265.08569	2.8
267.06424	1.1
277.08582	1.3
279.06754	0.9
279.10107	1.6
281.08020	1.5
284.20944	1.8
295.09662	1.0
297.11212	2.9
307.06052	1.1
307.09302	1.7
311.12900	1.0
313.10489	1.3
314.04382	1.1
321.09787	2.5
321.24243	1.3
325.10651	6.9
327.12338	1.8
329.13678	1.4
339.11340	3.6
357.06061	1.8
357.09735	2.0
357.13312	11.0
357.18649	2.7
358.13968	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.37324	1.5
53.03946	2.0
54.03078	1.5
55.01880	2.2
55.05515	30.7
57.03451	8.3
57.07079	23.8
67.05509	82.6
69.07074	40.9
70.06580	2.9
71.05005	2.7
71.08640	7.5
71.61722	3.0
79.05504	26.2
81.07063	100.0
82.07416	2.7
83.04971	2.5
83.08627	33.5
85.10214	4.0
88.07640	3.9
89.06027	4.0
91.05451	19.5
93.07049	31.1
94.20233	1.9
95.04968	2.8
95.08614	89.1
97.06557	10.1
97.10172	17.6
99.08115	4.5
105.07043	15.6
106.07428	1.8
107.08604	19.6
109.06538	2.3
109.10161	40.7
111.08096	4.2
111.11726	6.2
113.09626	3.2
114.86914	1.6
119.08598	16.3
121.06516	14.8
121.10140	27.0
123.11734	21.8
125.09702	3.3
133.08620	2.6
133.10135	18.3
135.11694	18.3
137.09639	2.9
137.13274	10.7
139.11229	2.3
141.12778	4.2
147.11740	11.0
149.13313	12.3
151.14835	4.2
157.28931	1.7
161.13239	16.8
161.14221	1.7
163.14784	11.7
165.09158	3.9
165.16412	8.0
167.14316	2.2
175.14832	11.9
177.16409	4.0
179.14255	1.9
179.17979	5.7
181.15744	2.9
189.16422	4.1
203.17972	2.7
227.12775	24.9
238.87263	1.7
245.22685	54.3
263.23718	61.9
264.24045	2.7
265.25244	2.1
337.27371	42.9
338.27963	2.3
355.28394	10.6
356.35233	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	34.7
56.82289	3.7
57.03434	10.1
57.07072	16.6
67.05511	75.2
69.07079	37.5
70.06587	4.9
70.63058	9.1
70.63427	9.2
71.04997	5.1
71.08643	5.9
79.05486	24.6
81.07064	100.0
83.08615	29.4
85.10194	5.1
91.05492	16.0
93.07047	24.9
95.08616	84.5
97.06500	4.8
97.10170	18.9
105.07040	17.4
107.08617	21.4
109.06573	6.0
109.10165	41.0
111.11717	5.8
113.09679	6.0
119.08602	9.3
121.10167	30.6
123.11711	21.2
133.10155	22.6
135.11702	15.1
137.09595	9.7
137.13261	9.4
141.12677	5.8
147.11688	14.5
149.13281	15.8
151.14783	5.4
153.12846	5.2
161.13284	13.9
163.14827	12.1
165.16399	6.0
175.14812	5.7
176.68326	3.9
177.16603	4.7
179.17940	8.0
179.63911	4.3
245.22707	53.6
263.20102	17.8
263.23746	52.5
337.27426	31.0
338.27597	5.1
355.28540	13.2
356.35260	59.0
368.31299	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.9
55.05513	25.9
56.48282	2.0
57.03435	6.1
57.07074	14.2
67.05509	88.8
69.06728	2.3
69.07074	37.9
69.40260	20.7
71.08630	8.3
79.05501	27.7
81.07061	100.0
83.08620	28.3
83.49360	2.0
85.06558	4.1
85.10202	3.7
91.05476	17.0
93.07043	27.6
95.08611	89.6
97.06551	10.1
97.10165	16.2
99.08099	5.6
99.53154	2.5
105.07034	13.2
107.08598	21.3
109.06545	2.6
109.10168	48.5
111.08067	5.0
111.11713	6.3
119.08580	17.1
120.17044	2.1
121.10146	30.3
123.11719	26.9
125.13277	2.7
127.11193	2.3
129.05504	2.6
133.10136	22.6
135.11682	14.0
137.09682	3.4
137.13266	10.1
141.12743	3.8
145.42528	1.7
147.11736	13.6
149.13275	12.4
151.11131	2.3
151.14813	5.7
155.34322	2.0
161.13274	16.1
163.14867	11.5
165.16391	5.2
175.13486	1.9
175.14787	10.4
177.16325	2.1
177.94870	2.2
179.17998	5.6
189.16377	6.6
245.22659	51.1
246.22902	3.3
263.23715	51.3
263.26547	2.8
264.23999	2.5
337.27438	28.7
340.77045	2.0
355.24527	2.0
355.28320	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
50.64814	0.8
53.03944	2.1
55.01860	2.5
55.05513	27.5
56.96558	4.7
57.03433	8.4
57.07078	12.0
59.46639	0.8
65.03927	2.6
67.05506	76.3
68.05836	1.3
69.07069	35.7
70.06580	1.1
71.04986	2.6
71.08631	7.1
71.59064	1.5
75.04452	1.4
78.65998	0.8
79.05490	22.1
81.03451	0.9
81.07057	100.0
82.07372	1.9
83.04976	2.5
83.08140	1.6
83.08620	27.8
84.08903	0.8
84.98691	0.8
85.06542	3.5
85.10168	2.4
86.17136	1.1
88.07641	1.2
90.74049	0.9
91.05466	17.8
93.07044	26.7
95.04969	2.9
95.08609	80.7
96.08952	1.8
97.06528	9.7
97.10174	19.0
99.08093	3.2
100.33894	1.0
103.03934	1.1
105.07033	15.8
107.08594	21.5
109.06522	1.7
109.10158	42.7
110.97595	1.0
111.08107	4.6
111.11731	5.4
113.09660	1.6
119.08585	13.9
121.10144	25.5
122.10512	1.2
123.08064	1.5
123.11716	19.0
125.09643	2.5
125.13277	2.3
127.11201	1.0
128.98517	1.0
129.05479	1.7
133.10133	17.0
135.11700	13.0
137.09567	3.1
137.13260	9.1
139.11150	1.9
141.12740	1.7
146.99663	3.8
147.11690	11.2
149.13246	12.2
151.11174	1.7
151.14822	5.7
153.12749	1.4
155.14349	2.4
161.13243	14.6
163.14822	12.6
164.15179	1.3
165.12735	2.1
165.16399	7.3
167.14360	1.3
175.14824	9.7
177.16376	3.4
179.14304	2.2
179.17934	4.9
181.15924	1.5
189.16389	5.4
203.17966	1.7
217.19531	1.2
245.22656	45.4
246.22997	2.6
247.24254	1.0
263.23715	54.1
264.24057	3.2
265.25455	1.9
281.24762	1.5
315.16284	6.2
333.17447	12.6
337.27362	35.7
338.27652	2.8
351.18277	5.7
355.16318	1.6
355.28397	13.6
355.33960	10.7
356.19009	5.9
356.28351	1.1
361.03424	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.5
57.03429	3.0
57.07082	4.2
67.05169	2.8
67.05507	31.8
68.05829	3.1
69.07069	18.2
69.35713	17.7
70.06599	10.3
71.06927	2.0
71.08628	4.1
71.75511	1.7
78.67867	1.8
79.05495	9.9
81.07063	37.6
82.07381	1.9
83.08617	13.5
88.05335	1.6
88.07629	12.5
91.05453	4.0
93.07047	11.7
95.04950	2.5
95.08607	29.1
97.06572	2.0
97.10165	7.5
99.08081	2.4
102.09204	2.4
105.07032	6.9
106.08682	6.3
107.08584	7.5
109.10144	17.4
111.11690	1.9
113.05344	1.7
119.08570	4.6
121.10139	9.4
123.11729	8.6
131.92914	1.7
133.10103	5.8
135.11670	7.4
137.13271	3.7
139.11101	1.9
141.68423	1.8
147.11662	4.1
149.13249	4.8
161.13239	4.0
163.14880	5.3
165.16403	3.4
175.14835	3.6
245.22661	18.4
263.23691	20.8
319.26224	2.2
333.19168	6.2
337.27557	13.2
337.32925	5.1
355.14389	1.5
355.18558	33.6
355.28958	4.9
355.33972	100.0
356.19077	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	355.2843
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
55.05496	18.4
57.07051	20.8
67.05491	70.7
69.07047	59.2
70.03683	78.6
71.04984	16.5
79.05463	34.1
79.77262	15.5
81.07059	100.0
83.08607	46.1
93.07038	52.8
95.08574	71.7
95.72523	20.1
97.10136	25.7
99.83917	22.0
106.22087	17.1
109.10137	46.6
123.11750	24.1
133.10104	22.5
134.14996	16.8
135.11668	19.3
147.11708	22.8
161.13205	26.1
182.82503	18.5
222.02231	20.9
245.22517	42.3
263.23727	35.0
285.00766	19.8
337.27490	24.8
355.28073	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	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
62.60556	0.2
67.05474	0.2
69.03441	0.3
69.29353	0.5
69.29693	3.0
79.05485	0.4
81.07050	0.5
90.89724	0.2
91.05436	0.3
93.07013	0.4
95.08617	0.7
103.05467	0.9
105.07027	1.4
109.10137	0.4
110.47427	0.2
117.07040	0.4
121.06503	0.3
121.10172	0.3
131.04909	1.6
133.06493	0.9
135.08026	0.3
135.11824	0.3
137.05974	0.7
145.06422	0.3
147.04430	0.5
151.07576	1.0
160.05243	0.3
161.06041	1.3
163.07539	2.3
165.09181	0.3
167.07066	0.9
181.08594	0.7
193.08578	2.4
193.12059	0.8
203.05264	2.7
263.10599	0.3
280.68738	0.3
285.01086	0.3
319.87219	0.3
323.12781	0.4
355.17294	100.0
356.17682	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	355.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01939	1.6
53.03925	2.4
55.01854	4.0
55.05513	9.2
56.05027	5.1
57.03427	3.6
58.74090	1.6
59.04983	2.9
61.02921	2.5
62.09117	1.5
65.03931	2.9
67.05505	16.3
69.03430	22.7
69.07053	5.3
70.06587	4.5
71.04985	3.8
71.57345	2.3
72.08189	1.8
73.02894	2.6
73.04751	2.3
79.05495	5.1
81.03423	12.1
81.04517	2.6
81.07066	13.8
83.04980	23.6
83.08586	2.7
85.02910	11.6
87.04462	2.8
88.42434	1.7
91.05431	5.2
91.05881	3.2
92.05007	2.5
93.07038	10.9
95.04964	18.1
95.08607	18.1
97.02890	6.1
97.06516	3.6
97.10187	2.9
98.06071	4.3
98.97553	2.0
99.04448	3.8
99.08044	2.9
103.03929	2.3
105.07028	10.1
107.04955	4.4
107.08592	7.4
109.02881	5.1
109.06509	8.3
109.10164	21.6
111.04405	2.1
111.08092	2.8
115.05460	2.7
117.07022	3.0
119.04945	2.1
119.08612	11.0
121.06492	5.0
121.10161	4.3
123.04374	3.5
123.08073	2.8
123.11710	4.0
125.09572	2.1
127.03936	20.1
127.04876	3.5
129.06978	3.0
131.08539	5.6
133.06448	1.7
133.10179	11.4
135.04402	4.2
135.08051	7.1
135.11673	10.7
137.06033	8.8
137.08650	3.4
137.09616	43.7
139.03836	2.1
143.08559	1.9
145.10121	5.6
147.04401	11.5
147.08054	2.5
147.11708	2.5
149.05995	3.0
149.09650	3.3
151.07518	2.1
151.11200	2.4
153.05487	4.3
159.08055	5.1
159.11707	2.2
160.42188	1.7
163.03912	12.1
163.07643	2.6
165.05492	2.5
165.09088	2.7
165.12791	2.5
166.05002	16.7
167.07076	2.4
173.13245	3.3
173.14952	2.1
175.07483	2.3
175.14870	6.7
176.03404	8.6
177.12766	2.4
179.10683	4.9
181.04744	2.0
187.07515	3.9
193.04971	100.0
193.15889	24.4
194.04425	33.5
203.06815	2.1
206.51199	2.3
209.15213	2.0
212.05600	2.1
217.15794	2.2
219.10069	2.9
235.16924	6.7
263.05392	1.9
263.09146	8.1
266.07755	2.9
277.18030	2.8
281.10257	2.1
297.36115	2.1
299.14767	2.2
301.17902	2.1
319.19070	3.5
337.20245	5.4
338.08688	4.9
355.14325	1.8
355.21213	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	355.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72659	1.3
53.03939	1.3
55.01871	2.6
55.05505	4.8
57.03434	5.3
57.07100	1.3
67.05502	3.9
69.03432	72.1
69.07058	3.7
70.06577	3.2
70.42864	1.3
70.86507	4.8
71.04970	1.4
75.04470	4.3
79.05492	5.1
81.03427	2.4
81.07067	2.9
83.04989	4.4
83.06116	1.3
84.04499	1.5
85.02887	4.9
88.18948	1.3
91.05401	6.8
93.07045	2.8
95.04961	4.9
95.08604	5.4
95.63320	1.2
97.02884	4.4
98.97606	2.2
99.04413	2.7
103.05499	1.4
103.98870	1.2
105.07024	4.9
107.04929	8.3
107.08580	2.2
109.02895	3.1
109.06513	3.1
109.10158	3.5
111.04411	1.7
115.05453	5.4
116.06216	2.0
117.07026	3.1
119.04940	1.3
119.08594	2.1
121.02824	1.7
121.06559	1.8
121.10151	2.5
123.04446	3.0
124.05260	2.7
124.07533	1.8
127.03922	100.0
128.04247	1.8
128.06242	3.1
129.07030	12.2
131.04935	3.4
131.08580	17.4
133.06497	3.1
133.10136	2.3
135.11714	1.9
137.05972	5.7
137.09651	6.7
138.24474	1.2
139.03870	2.2
141.06995	5.4
143.04942	2.4
143.08655	1.9
144.05731	11.9
145.06477	4.4
147.04411	2.1
147.08060	2.6
149.05965	1.4
151.03900	2.1
151.07556	1.6
152.04643	2.4
152.92615	1.2
153.05469	20.7
154.06241	4.6
155.07037	3.3
157.06523	10.3
158.07227	2.5
159.08058	24.1
160.05203	2.7
161.05956	3.7
163.03941	8.6
163.07509	1.5
165.05533	6.8
165.06917	1.1
166.06204	1.5
167.03413	4.2
167.07042	13.3
168.04210	9.2
169.04932	1.8
169.07660	3.3
172.05186	2.6
173.06079	2.5
173.69492	1.2
174.06787	2.0
175.07542	5.8
177.05511	6.3
178.06242	1.9
179.07069	2.8
179.10681	1.9
180.07834	5.1
181.04990	2.9
182.05815	2.3
185.05995	4.1
187.07553	24.2
188.04759	1.6
189.05351	2.6
191.07002	3.2
193.05005	4.3
193.08559	3.5
193.15889	2.7
196.07361	1.3
201.05479	2.6
203.07040	4.3
204.07770	4.3
213.05450	2.6
215.69951	1.4
217.08644	2.7
218.09436	6.6
219.06648	2.1
219.10173	10.5
221.08182	8.4
221.13441	1.6
231.06540	3.4
235.05945	3.1
235.09706	5.3
236.10530	1.6
237.02747	1.5
238.08467	1.6
245.08109	2.8
249.07729	1.8
251.09180	2.6
263.09161	65.4
264.09518	3.4
265.07089	2.0
266.07870	26.4
277.10748	1.5
279.08743	8.2
281.10239	30.8
282.10577	1.5
285.00836	1.6
307.11679	2.2
309.11172	2.0
355.06866	1.6
355.14038	1.9
355.17944	2.5
357.66953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
55.01896	3.1
55.05497	4.6
56.96561	2.9
57.03420	8.1
59.05001	52.2
69.03410	7.1
70.06589	15.5
70.11263	11.9
71.04969	3.3
72.08150	7.8
73.02914	2.3
74.02813	2.1
77.44527	2.6
81.03425	5.1
81.07056	6.4
83.04955	4.6
84.04497	8.7
84.08129	8.0
85.02917	14.4
89.03891	3.3
91.05853	15.2
95.04974	5.8
95.08588	2.9
97.02905	4.5
97.06491	2.5
98.97596	5.1
107.04961	16.3
109.02884	3.0
111.04433	2.9
112.15705	2.2
114.10278	10.3
117.03341	2.8
117.09114	15.7
121.06433	2.5
135.04436	13.0
136.07568	2.8
137.05960	4.9
137.09598	4.4
145.02840	8.4
145.10127	2.5
147.04355	2.8
147.07979	2.9
153.05469	3.9
155.11746	2.1
161.05939	2.2
163.03920	61.5
167.03372	2.9
167.06947	2.6
169.36032	2.1
175.12000	2.7
175.14804	2.4
177.05513	4.6
178.02606	11.8
180.07861	2.3
181.05043	2.7
185.08101	3.4
189.05486	19.2
193.04942	29.6
193.14397	15.4
193.15907	3.0
203.07013	9.4
205.04962	100.0
206.05653	7.0
217.05011	13.5
225.19513	5.3
229.04849	2.7
231.06511	19.2
235.06004	68.8
245.08072	7.9
255.06488	3.3
256.20847	2.5
259.06036	32.3
268.97943	2.8
271.06012	10.3
283.06027	10.4
284.24503	6.4
285.00980	5.8
289.07059	24.4
301.07141	13.1
309.07199	2.9
317.50391	2.5
319.08038	14.2
337.08990	9.1
355.06506	4.3
355.10095	7.1
355.13742	21.3
355.20438	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.21544	0.4
51.91055	0.4
53.03934	0.5
54.10923	0.4
57.07068	0.4
67.05498	0.8
69.03419	2.0
69.07049	0.7
70.06592	1.1
71.33009	0.7
73.04757	1.4
74.18669	0.4
79.05507	1.4
79.38804	0.5
81.03410	1.2
83.04988	1.4
85.02915	2.4
86.09669	0.6
89.03926	4.1
91.03934	0.5
91.05836	4.9
92.70204	0.4
95.04995	0.8
97.02885	1.8
98.97578	0.9
103.05468	0.4
105.07014	0.6
107.04948	1.8
111.04420	1.3
113.52099	0.4
115.05455	0.6
116.98605	0.7
117.03375	7.0
117.07040	0.6
118.06544	0.7
121.02866	1.9
121.06528	0.8
122.06023	1.0
124.67294	0.5
127.03914	0.5
132.04460	2.4
134.42584	0.5
135.04425	16.9
137.02339	1.5
137.05965	0.9
139.03955	0.6
145.02866	10.9
145.03999	0.9
146.06036	1.2
147.06352	1.7
147.08090	0.6
161.05994	0.7
163.03915	100.0
164.04292	1.0
164.07031	0.9
165.05466	0.6
167.07054	1.9
174.05531	7.6
175.05882	10.4
176.06093	0.5
179.07076	0.7
181.04947	1.8
181.08653	3.1
191.07076	0.6
192.06583	4.0
193.04976	2.8
193.06891	5.9
193.08678	1.3
205.04918	1.8
205.08659	1.0
206.05788	1.2
217.05183	0.6
219.01773	0.7
221.08144	0.7
223.09650	0.8
235.06050	1.9
237.02872	1.0
239.09160	1.0
241.10799	0.7
285.00980	1.0
289.06934	0.9
319.08130	0.7
319.11813	0.8
337.09167	1.4
355.06866	1.6
355.12201	10.3
361.19217	0.5
373.08316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1024
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.96542	0.6
63.02381	0.5
68.11524	0.4
70.49365	1.7
73.33305	0.5
79.05496	0.6
87.87379	0.5
89.03912	4.9
91.05788	1.4
94.93534	0.4
95.04974	0.6
98.97586	1.1
107.04938	1.0
111.04481	0.6
116.98672	0.6
117.03383	5.2
132.04443	2.9
133.04738	0.6
135.04427	12.8
145.02846	8.8
163.03909	100.0
164.04260	1.5
174.96959	0.5
181.04924	2.1
219.01614	1.1
237.02840	2.2
280.45151	0.6
304.63608	0.5
355.07034	2.0
355.16068	1.3
365.57831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01642	0.3
53.77503	0.3
66.06755	0.3
67.78442	0.3
70.06584	0.4
71.11885	0.7
71.12246	0.5
79.05478	0.9
89.03922	5.1
91.05806	0.7
95.04969	0.6
107.04974	2.3
117.03387	6.2
123.04451	0.3
132.04431	0.6
135.04433	16.8
145.02850	10.5
145.04012	0.6
146.03247	0.4
154.73714	0.3
163.03918	100.0
164.04274	1.6
181.04980	2.5
275.84830	0.3
309.97400	0.3
355.06946	0.4
355.16275	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.07729	1.0
56.96563	1.1
59.49397	1.1
59.63467	0.9
59.74265	0.9
69.03456	1.4
70.06786	3.9
73.02891	0.9
79.01861	1.5
79.05468	1.2
81.03420	1.5
85.02937	4.8
85.10062	0.8
85.19839	0.9
89.03918	2.9
91.05790	3.1
97.02875	1.9
98.20856	1.5
98.97560	1.2
107.04986	2.2
108.73441	0.9
109.02897	1.8
112.11290	0.9
117.03387	4.6
120.61456	1.0
121.02866	2.6
123.04416	2.4
132.04482	2.1
135.04428	17.0
137.05962	2.9
139.03955	1.2
145.02879	9.3
147.04428	1.7
149.05969	4.4
161.05940	1.4
163.03912	82.3
165.05493	5.9
175.07700	1.3
177.05463	5.4
178.02666	2.4
178.06290	3.7
181.04958	7.7
193.04973	31.6
193.08604	1.6
197.89549	1.0
203.07289	3.0
205.04967	84.4
206.05740	42.3
207.06519	3.0
217.04991	16.3
219.06532	19.1
221.08037	1.1
230.05803	4.7
231.06573	5.9
233.04457	5.6
235.06021	100.0
243.02971	1.7
243.06580	1.2
245.04308	1.5
245.08109	21.4
247.05949	5.3
249.07622	1.9
259.06042	30.7
261.03894	4.8
263.05383	1.0
265.06964	5.3
271.05948	2.4
273.07626	8.4
277.07083	2.3
283.06290	1.2
289.07126	26.0
301.07098	11.7
319.08136	28.0
337.09177	39.8
355.10263	96.5
356.10718	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	355.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42363	0.7
54.24279	0.8
55.01857	0.8
56.96546	3.1
61.02917	1.0
67.05493	1.5
69.03410	3.3
69.69349	4.0
70.06588	4.3
73.02902	1.8
77.00876	1.2
79.05499	1.8
81.03419	1.5
83.04982	1.8
83.79361	0.8
84.96040	0.9
85.02920	6.6
89.03916	7.3
91.05836	5.6
93.03395	0.8
95.04974	5.7
97.02886	5.4
98.97593	3.8
101.00879	8.9
105.00320	0.8
107.04956	4.8
109.02844	1.5
111.04436	4.0
113.00835	1.4
115.02384	1.1
116.98623	2.2
117.03390	8.7
119.01928	36.5
120.01992	1.5
123.04435	10.4
127.03849	1.7
128.98535	1.6
129.05496	1.2
131.01912	13.4
131.04933	0.8
132.03587	1.0
132.04449	14.0
133.03459	2.2
133.04820	0.7
134.05965	0.9
134.99623	1.7
135.04424	21.4
136.07564	1.7
137.02176	3.3
137.02943	5.6
137.05949	1.7
139.03929	4.3
142.03502	1.0
143.01881	9.7
144.98088	1.0
145.02713	6.7
145.03458	8.2
147.01308	1.0
148.03941	7.0
148.07651	1.0
149.02893	2.6
153.05397	2.9
155.00806	1.2
155.01906	14.1
155.03122	1.7
156.02655	2.6
157.03476	7.6
158.99551	1.8
161.01442	1.3
161.02962	25.1
163.03900	100.0
164.04214	0.9
164.07071	9.0
167.00389	1.0
167.01866	2.5
173.01576	1.3
173.02974	19.1
175.05034	10.0
175.08705	1.6
175.11841	1.5
176.06963	1.0
177.00716	1.5
177.02292	1.0
179.01825	3.1
185.01318	1.6
185.02934	8.8
187.04501	4.1
189.00685	1.2
191.03848	1.0
193.06108	7.8
193.09724	1.8
195.01401	1.1
196.06010	2.8
197.02972	18.2
198.03108	1.3
201.00688	1.0
203.03995	8.5
204.04124	1.0
205.03406	1.1
206.10243	1.0
213.00664	1.0
215.03941	3.0
219.01662	2.2
220.04497	1.2
221.05063	19.4
223.04385	1.0
227.03873	2.0
229.00061	1.8
235.04626	4.8
237.02695	2.4
243.01633	3.8
245.05080	68.6
246.05373	4.0
246.95650	0.8
247.01089	1.6
247.04361	1.2
253.05637	4.3
261.02716	1.6
263.06097	7.7
267.01746	1.0
268.97748	1.4
279.03680	1.0
285.00504	1.1
313.07568	2.4
320.60187	0.8
321.04517	2.4
322.04767	0.9
331.08441	0.8
337.09991	3.3
355.08521	35.2
355.15683	2.6
356.08771	2.5
372.94681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2639
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.91092	0.9
55.01872	1.5
55.05509	7.8
56.05050	0.8
57.07067	1.4
58.80330	0.8
60.04515	2.9
64.94453	0.8
67.05206	0.9
67.05508	8.6
69.07067	3.9
70.06602	1.7
70.42905	0.8
71.08627	1.4
71.61055	1.0
72.28273	0.7
79.05509	5.2
81.03396	0.9
81.07054	8.0
82.06580	1.0
82.07425	0.9
83.04989	1.9
83.08618	5.6
85.02934	1.2
85.10128	0.9
91.05476	3.6
93.07044	6.3
94.06575	1.2
95.04946	0.9
95.08602	3.8
96.08114	1.0
97.06548	0.8
97.10165	2.3
99.08104	1.5
100.11257	100.0
101.11572	2.8
105.07011	2.6
107.04997	1.0
107.08595	3.6
109.06486	1.2
109.10168	3.0
111.08095	0.9
119.08616	2.4
121.10133	1.5
123.11747	1.6
125.09644	1.8
131.08482	1.4
132.68687	0.9
133.10107	2.0
135.11739	2.0
138.12764	1.0
142.12280	34.1
147.11745	1.3
150.12769	0.9
151.11166	1.1
152.14403	1.2
161.13275	1.1
167.10635	1.4
177.12784	4.9
197.02547	0.8
230.99707	0.8
254.17668	0.9
259.20621	1.8
272.64420	0.8
276.23215	5.4
277.21591	11.3
285.10223	1.1
292.22757	0.9
294.24292	20.4
295.22443	1.2
304.13727	1.1
308.25784	3.8
314.35507	1.1
318.24277	2.8
336.25333	10.0
354.26401	22.8
355.18460	1.5
355.26657	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	354.1187
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.37915	0.4
53.03946	0.6
55.01855	0.7
57.03429	0.7
58.19859	0.4
59.04985	0.6
61.02924	0.8
63.69896	0.5
65.21635	0.4
65.48965	0.5
67.05519	0.7
69.03407	2.1
69.07047	0.5
69.89704	2.5
70.06579	1.6
71.04984	0.5
73.02906	0.6
74.91470	0.4
77.03915	0.5
79.05477	0.6
81.03402	0.9
83.06103	0.5
85.02921	4.1
86.09686	0.7
87.04460	0.8
91.05482	1.7
94.06578	4.4
95.04972	1.0
97.02889	1.4
97.06529	0.6
98.20856	0.5
99.04491	0.6
102.42240	0.5
105.03389	0.5
107.04975	0.5
109.02852	0.5
110.07129	0.9
115.07571	2.1
118.06537	6.6
119.04984	0.6
121.02865	1.3
122.06045	5.9
123.04426	0.7
127.03949	0.8
130.05109	0.5
132.04485	0.6
134.06030	0.7
134.99689	0.6
135.04407	1.3
145.02890	0.9
145.05052	0.7
146.06012	13.8
148.07558	0.8
150.05499	1.3
157.08652	1.2
162.05522	1.1
163.03915	7.1
164.07086	6.1
167.07059	0.7
174.05516	100.0
175.05939	1.7
175.09689	1.0
176.06995	1.0
177.05492	0.5
178.31096	0.5
181.04938	0.9
192.06567	49.5
193.04944	1.4
205.05016	3.0
206.05742	1.6
235.06033	2.8
259.05969	0.8
289.07034	0.6
336.10730	1.3
337.08981	1.1
354.11853	59.9
355.10388	1.8
355.16824	0.4
372.81274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12938	0.5
53.00323	0.8
53.03938	1.2
55.05516	7.3
57.07080	5.8
59.05006	0.8
67.05505	3.8
69.03432	1.0
69.06719	0.9
69.07069	11.7
70.06864	2.6
71.04995	0.6
71.08621	2.6
73.06548	0.9
79.05498	3.8
81.07056	5.2
83.01337	1.0
83.08617	5.6
85.10194	1.3
91.05474	2.1
93.07047	5.9
94.04179	0.6
95.04955	1.9
95.08605	5.6
97.06555	2.8
97.10168	3.5
99.04491	0.6
99.08085	0.9
105.07043	1.5
107.08585	4.8
109.06517	2.4
109.10158	2.2
110.72874	0.5
111.04447	1.3
111.08073	4.6
111.11725	1.0
113.05986	0.8
119.08573	1.7
121.10146	3.0
123.08086	3.2
123.11659	0.8
125.05164	0.7
125.05999	7.0
125.09624	5.2
126.06770	3.8
127.07558	6.2
133.10158	0.7
135.08096	1.1
135.11679	1.0
137.09624	1.8
139.07539	26.7
139.11172	4.1
149.09680	0.8
151.11176	4.1
153.09106	5.5
153.12776	1.1
159.11673	0.7
160.26601	0.5
163.11163	0.7
165.12674	0.7
167.10672	7.3
167.14464	0.5
168.20854	0.5
181.12227	6.4
185.86258	0.5
193.05070	0.5
195.13786	3.9
209.15382	3.3
210.28047	0.5
222.14023	0.5
223.16943	2.1
237.18533	1.8
251.20097	1.1
261.22195	1.2
265.21649	1.4
279.23291	1.5
293.24661	0.6
317.28473	0.7
321.27829	3.3
335.29440	47.2
336.29706	3.6
353.30511	100.0
354.30994	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	353.269
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.80021	2.0
53.03965	2.8
53.42200	2.2
55.05511	15.1
57.03430	5.3
57.07076	5.8
60.04532	2.2
64.18584	2.0
65.03951	3.6
67.05508	87.2
69.07076	14.5
71.05006	2.8
71.08632	5.6
71.60162	2.6
79.05495	52.6
80.05853	2.7
80.32994	2.3
81.00346	2.0
81.03430	2.9
81.07063	100.0
82.07377	2.7
83.04984	2.4
83.08625	11.5
85.06532	3.8
85.10213	2.6
91.05491	28.1
93.07046	68.4
95.04961	7.9
95.08609	73.2
96.08936	5.3
97.06536	6.6
97.10177	6.0
98.09707	6.7
99.08102	8.2
105.07031	23.4
105.88618	1.9
106.07317	3.2
107.08610	38.9
109.06480	2.9
109.10165	30.5
111.08071	2.8
113.09671	3.8
117.07009	12.7
119.08588	17.7
121.06486	2.0
121.10143	32.6
122.10538	2.3
123.11694	14.9
125.09666	4.2
131.08556	24.3
133.10139	14.9
135.11702	26.1
137.13274	6.8
143.08601	2.1
145.10138	14.4
147.11685	14.2
149.09689	2.8
149.13228	20.2
151.14804	4.3
153.81898	2.4
159.11665	13.4
161.13254	12.3
163.11197	4.1
163.14844	18.3
169.41022	2.2
173.13277	15.6
175.14865	3.2
177.16423	8.1
187.14862	10.7
201.16394	4.8
211.14960	2.8
233.22725	9.6
243.21065	33.3
244.21481	4.8
261.22159	84.6
262.22476	6.5
279.23151	5.1
293.23050	3.0
335.25809	18.3
336.26801	2.6
343.51868	2.4
353.08447	3.5
353.26016	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05503	13.2
57.03435	4.3
57.07072	6.4
65.03917	4.3
67.05508	81.7
69.07076	16.2
69.28443	6.1
69.28860	22.1
71.05018	3.1
79.05064	3.4
79.05500	43.3
81.07063	85.2
83.08608	6.3
88.25344	2.6
91.05489	19.9
93.07050	57.4
95.04993	4.3
95.08612	74.1
97.06561	4.2
97.10166	3.3
99.08087	2.6
105.07022	16.1
107.08596	44.2
109.10145	31.9
117.07004	11.0
119.08581	15.4
121.10152	33.7
123.08105	2.9
123.11709	19.1
131.08568	17.6
133.10153	13.5
135.11714	23.2
137.13281	5.9
145.10168	14.3
147.11697	13.3
149.13266	21.3
149.76370	2.8
159.11655	13.9
161.13304	8.0
163.14777	12.7
173.13297	16.9
175.14767	3.3
177.16403	4.4
187.14822	11.1
187.35016	2.8
201.16478	3.3
233.22720	4.6
243.21071	27.6
247.08627	3.0
261.22153	100.0
262.22589	7.7
279.23102	5.1
310.49323	2.4
335.25821	10.0
353.26776	36.8
354.27258	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	353.2692
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01886	5.0
55.05510	18.7
56.00282	4.3
56.96568	5.9
57.03432	5.6
57.07080	9.4
57.98012	5.4
67.05507	87.5
69.07078	19.0
71.04991	6.8
71.60120	8.7
73.02905	4.3
75.02251	4.9
75.08289	4.5
79.05499	49.6
81.03446	4.9
81.07061	100.0
83.08612	8.3
91.05492	19.2
93.07051	51.8
95.04993	8.0
95.08604	65.9
97.06503	7.8
99.08052	5.2
105.07034	18.5
107.08603	36.0
109.06552	8.5
109.10151	28.7
111.08131	4.6
117.07001	5.1
119.08597	17.3
121.10139	43.8
123.11709	10.9
130.82553	4.4
131.08574	20.5
133.10165	8.7
135.08083	5.9
135.11703	19.8
139.76422	4.5
145.10150	19.5
147.11707	5.8
149.13284	12.8
151.14722	5.8
159.11688	10.5
161.13275	9.2
163.11209	9.3
163.14876	13.5
167.07034	7.7
173.13274	12.0
177.16409	8.5
190.07806	5.6
191.07024	7.0
201.16318	5.5
238.02373	5.3
243.21127	24.1
256.98090	5.0
261.22137	87.9
262.22644	6.2
279.22675	5.5
281.20367	5.5
321.11389	9.5
322.66818	5.3
335.25851	16.7
353.10141	7.7
353.14246	10.9
353.20844	5.0
353.26627	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.9
56.91935	2.3
57.03422	8.1
57.03681	2.5
57.07059	5.6
67.05506	86.2
68.84284	2.0
69.07066	12.9
70.86568	6.5
71.04990	3.6
71.08622	3.5
73.47318	2.2
79.05059	3.1
79.05491	38.8
81.06577	5.0
81.07058	93.1
83.08611	10.1
85.06516	3.0
91.05474	20.5
93.07045	46.9
95.04981	3.3
95.08607	69.2
96.08916	2.7
97.06544	3.9
97.10174	5.8
97.34528	2.0
99.08123	3.9
105.07023	13.2
107.08594	34.6
109.10155	42.5
111.08053	2.6
117.07006	8.2
119.08580	17.0
121.06482	2.4
121.10152	32.6
123.11721	20.4
131.08545	13.3
133.10121	13.0
135.11719	24.0
137.13239	7.9
139.11205	2.7
145.10120	14.4
147.11652	9.8
149.13268	20.7
159.11710	14.5
161.13255	8.4
163.14847	16.1
173.13316	16.8
175.14818	2.8
177.16301	4.4
187.14853	12.3
201.16313	3.8
233.22797	3.0
243.21060	24.9
261.22141	100.0
262.22467	3.5
279.23138	6.2
335.25781	18.4
353.26813	35.1
374.37427	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.4
57.07079	4.7
67.05503	65.4
69.07063	12.4
70.24208	12.2
71.08632	3.6
73.52085	2.3
79.05493	37.0
81.07059	79.8
82.07359	3.0
83.08619	9.3
85.06538	3.1
91.05485	18.0
93.07043	53.1
94.40862	2.4
95.04922	3.3
95.08054	5.1
95.08611	65.9
97.06567	3.6
97.10167	3.2
105.07043	14.1
107.08602	30.2
109.10160	38.0
117.07014	10.7
119.08595	16.0
121.10149	32.6
123.11714	18.4
131.08592	17.1
133.10124	11.0
135.11703	22.2
137.09531	2.9
137.13213	6.0
145.10103	13.3
147.11674	8.0
149.13281	19.5
151.14828	2.8
157.10229	2.4
159.11702	12.4
160.40585	3.0
161.13255	9.3
163.14815	11.0
173.13303	17.0
173.62115	2.3
175.14819	2.5
177.16434	6.1
179.14340	2.7
187.14746	6.9
233.22629	2.2
243.21097	23.8
261.22144	100.0
262.22601	5.6
279.23120	3.8
335.25858	11.7
336.29260	2.8
353.26886	36.8
354.33826	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	2.7
55.05511	14.2
57.03425	6.7
57.07066	6.4
60.21884	1.8
61.17479	2.0
67.05506	95.7
69.07076	13.3
69.39292	22.8
71.04970	4.0
75.04463	2.8
75.80421	2.0
79.05498	40.4
81.07059	96.9
82.07401	2.9
83.08617	7.5
85.06510	2.2
91.05480	17.7
93.07050	53.1
95.04979	3.9
95.08607	72.4
97.06499	2.9
97.10173	4.2
99.49653	1.9
105.07024	14.5
105.92471	1.9
107.08600	35.4
109.06480	2.6
109.09455	3.2
109.10158	41.3
110.66406	2.3
111.08044	2.6
117.07018	10.9
119.08584	16.4
121.10138	26.7
121.83370	2.0
123.11717	18.3
131.08574	17.6
133.10149	12.4
135.11708	27.5
137.13226	8.8
145.10144	13.8
147.11682	11.0
147.65601	2.3
149.13271	17.3
151.14801	3.2
159.11671	13.6
161.13248	9.3
163.11217	2.3
163.14844	15.3
169.27501	2.0
173.13251	13.4
175.14809	3.6
177.12714	2.4
177.16443	4.7
179.80824	2.0
187.14781	9.5
201.16371	2.2
243.21051	24.2
261.22141	100.0
262.22495	6.8
279.23230	6.0
335.25711	16.7
336.26151	2.7
353.26886	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.3
55.05516	13.3
55.67644	2.6
56.01748	2.5
57.03421	2.7
57.07079	5.8
57.97991	2.3
58.75916	2.9
58.86017	2.3
67.05508	72.0
69.07063	11.1
70.08818	9.8
70.09220	5.5
71.04979	4.7
79.05495	43.5
81.07062	76.0
81.67966	2.5
83.08625	6.5
91.05496	20.8
93.07051	50.7
95.04983	4.2
95.08607	61.6
97.06565	3.8
97.10152	3.2
105.07030	15.0
107.08598	35.6
108.08939	3.1
109.10155	35.4
117.07027	8.3
119.08595	15.8
121.10149	29.6
123.11711	18.2
127.27932	2.2
127.57578	2.7
131.08615	17.7
133.10150	14.0
133.95517	2.4
135.11705	25.8
137.13261	9.6
141.54498	2.5
145.10114	15.1
145.27094	2.6
147.11681	11.9
149.13254	16.1
149.50876	2.4
159.11694	15.5
161.13264	7.9
162.81181	2.5
163.14865	15.2
167.70677	2.7
173.13286	10.4
175.14821	3.8
177.12857	3.7
177.16473	4.4
187.14742	5.4
200.02765	2.5
201.16412	4.3
233.22685	6.4
243.21065	22.2
244.21448	3.5
261.22150	100.0
262.22485	5.1
266.31604	2.6
279.23203	4.0
301.92834	2.9
335.25754	9.3
353.26941	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03927	3.4
55.05501	12.9
57.03433	5.7
57.07061	6.6
65.03925	3.3
67.05502	100.0
69.07053	10.6
71.68215	2.7
79.05123	3.4
79.05495	38.0
81.07055	99.6
83.08606	8.9
85.06536	3.9
91.05456	19.4
93.07036	54.6
95.04971	4.4
95.08604	74.6
97.10155	4.3
98.21522	6.2
99.08063	3.3
105.07046	15.0
107.08586	31.9
109.10155	33.1
117.07028	8.4
119.08571	11.1
121.10133	28.0
123.11703	26.1
131.08543	18.2
133.10138	14.0
135.11710	29.8
137.13269	6.8
145.10107	16.8
147.11676	13.1
149.13245	20.6
151.14835	2.8
159.11667	11.8
161.13243	12.0
163.14813	18.7
165.12686	3.3
173.13310	14.0
175.14847	4.5
177.16434	3.4
187.14844	10.9
225.85764	2.7
233.22661	4.2
239.97217	3.0
243.21115	24.4
261.22131	99.4
262.22427	9.2
279.23190	9.3
306.96463	2.9
335.25696	17.0
353.26877	40.5
362.79099	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92197	0.6
55.02996	0.7
56.05059	0.6
56.96577	0.7
59.05005	5.4
67.05510	1.3
69.03417	1.3
69.07068	1.4
70.03236	1.1
70.03648	2.0
70.06600	23.8
71.04976	1.1
72.05663	0.7
72.08161	22.1
73.08518	0.6
79.05494	0.8
80.05028	0.6
81.03423	0.9
81.04558	0.9
81.07055	2.8
83.05034	1.5
83.08652	0.7
84.08154	1.2
85.02909	1.9
86.09692	1.2
87.04482	2.9
87.82890	0.5
91.05476	1.2
93.07042	0.9
95.04943	1.2
95.08604	3.4
97.02911	0.9
97.07659	11.4
98.09698	1.4
98.97602	0.8
99.04454	0.7
105.07053	1.1
108.08129	1.5
109.02886	0.9
110.09669	0.7
110.27119	0.6
111.04445	2.4
111.11754	0.7
112.08739	14.4
114.10297	100.0
115.05448	1.3
119.04980	0.9
122.07153	2.6
123.07944	2.4
128.10704	1.0
131.04933	1.1
134.09656	1.2
139.03911	3.3
143.04942	0.8
146.91678	0.6
147.04431	2.8
151.03995	0.9
152.14326	4.9
153.05496	1.5
155.10638	1.3
155.14374	0.8
156.11043	1.7
161.06027	1.3
162.03125	0.7
163.03940	0.8
167.03394	0.9
167.07071	0.8
171.04446	1.2
173.07184	0.7
175.07550	1.0
177.05482	5.1
179.03439	1.7
179.07132	1.0
183.36951	0.6
187.08705	1.4
189.05539	1.0
189.07571	0.8
191.07008	0.8
198.18518	2.1
199.03934	1.5
201.03873	0.7
203.07022	3.9
205.04990	1.2
206.19028	3.5
207.06607	3.3
211.19196	5.1
217.04977	0.6
219.07768	0.9
229.37769	0.6
231.06505	5.7
232.20586	4.0
233.09225	1.9
237.02757	0.8
249.07590	12.7
249.23267	2.3
250.09735	1.0
250.21758	2.1
265.23886	36.7
266.24133	0.9
267.08649	3.6
274.22827	1.0
285.07025	0.7
291.25491	3.7
293.16174	1.4
307.12961	1.8
309.26468	9.0
353.12640	14.7
353.20715	0.8
354.13156	1.8
354.20132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08313	0.7
54.37282	0.6
54.97992	0.8
55.05494	3.0
58.88122	0.6
67.05498	2.5
69.03433	1.0
69.07069	3.5
70.61462	1.4
70.61859	1.3
71.04993	0.8
71.15563	0.7
79.05488	1.9
80.05021	0.6
81.03417	2.2
81.07086	4.0
83.08617	1.9
85.02890	1.6
85.06535	0.9
91.05477	1.7
93.07045	2.3
95.04970	0.9
95.08608	3.4
97.06530	0.9
97.10171	1.3
98.97588	1.4
105.07046	1.4
107.04958	2.0
107.08600	2.9
109.02882	1.6
109.06515	0.9
109.10149	2.4
116.98607	1.3
117.07030	0.8
119.08582	2.5
121.10181	1.6
123.11716	1.4
125.06051	0.6
131.08553	1.0
133.10107	1.0
135.11662	1.4
137.06029	0.7
145.10118	1.0
147.11708	1.1
149.05916	0.7
149.09694	0.8
154.83722	0.6
156.05597	0.6
167.07053	4.7
191.07043	3.2
191.10664	0.9
219.01775	1.2
223.15154	0.6
231.10851	1.0
237.02740	2.4
253.67880	0.7
261.09033	1.3
261.18573	0.8
271.14044	0.8
277.08685	0.7
279.03903	2.7
289.08713	0.9
293.11893	0.7
306.08945	0.7
312.48297	0.7
321.04868	1.4
321.11151	2.2
326.19583	1.0
335.21616	0.9
345.45892	0.7
345.68213	0.7
353.14008	3.9
353.22992	100.0
354.23318	4.5
379.68146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
67.05506	2.5
69.07069	1.4
70.06596	1.1
71.00066	1.4
79.05492	1.6
81.03426	1.4
81.07048	3.6
83.08641	0.6
85.02896	1.0
91.05466	1.2
93.07039	2.3
95.04976	0.9
95.08612	2.1
97.06540	1.1
97.69666	0.6
98.97558	0.7
105.07046	2.0
107.04971	1.1
107.08588	1.5
108.08131	1.0
109.02943	0.6
109.06479	0.7
109.10146	1.3
111.08089	1.1
114.10325	0.6
119.08559	0.7
120.31694	0.6
121.10118	1.2
123.08048	1.1
133.10149	1.3
135.11691	1.0
137.09691	0.7
139.07527	1.6
145.10143	1.1
147.11722	0.8
149.09605	0.6
150.12782	0.8
151.03951	0.6
151.07585	1.1
163.11162	1.0
165.09134	1.0
165.34563	0.7
167.07007	4.1
181.14386	0.7
185.04218	33.4
186.04604	0.9
191.07074	2.0
191.10448	9.5
226.06871	0.6
227.07251	0.6
232.13031	0.9
256.65787	0.6
282.17059	1.8
310.25763	0.6
317.17499	2.7
317.21231	1.5
321.11206	1.4
326.19540	3.6
328.13303	0.6
335.22226	1.2
353.15729	100.0
354.16086	3.8
359.55167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15599	0.9
55.01873	2.1
55.03000	1.1
55.05511	1.4
57.03439	2.7
58.39366	0.9
59.05006	22.1
67.05509	2.2
69.03436	3.6
70.06596	23.1
71.04998	5.1
71.59678	1.9
72.05643	1.2
72.08157	24.5
79.05489	1.6
81.03414	2.0
81.07060	4.4
83.04986	2.2
84.04517	4.1
84.08146	1.4
85.02905	11.1
85.06538	3.2
86.09682	1.2
87.04470	11.0
88.23026	1.1
91.05483	8.3
93.07067	1.5
95.04986	1.3
95.08616	3.4
97.02892	3.6
97.07657	11.8
98.09698	1.1
103.05450	1.7
105.07063	2.2
107.08612	1.4
109.10188	1.8
111.04428	8.6
112.08734	13.9
114.10297	100.0
114.12831	2.2
115.05459	5.4
117.06985	1.7
119.01929	1.5
119.04951	3.0
119.08671	1.2
120.08127	1.3
123.04458	2.5
125.06022	1.1
127.03934	1.6
128.10782	1.1
129.05484	1.8
130.04999	1.2
131.04939	1.3
131.08566	1.1
133.02852	3.6
133.06473	1.1
133.10199	1.2
134.03636	1.0
134.09705	1.2
137.05930	2.4
137.13321	1.5
139.03906	12.4
140.04681	1.2
143.04926	3.3
143.27577	1.0
145.05064	1.1
147.04413	13.1
147.06567	3.1
149.05954	1.7
151.03941	2.1
151.07607	1.4
152.14383	2.8
153.05524	4.1
155.14340	3.7
159.04424	1.8
160.05171	4.4
161.05948	5.4
162.03125	3.1
163.03975	2.2
165.05466	2.0
167.02136	1.1
167.03369	5.0
171.04388	6.1
173.15431	2.4
175.03923	3.0
175.07567	3.3
177.05475	32.3
179.03423	5.7
179.07056	4.4
181.04987	1.0
187.08673	1.2
188.04712	1.0
189.05609	6.1
189.07405	5.9
191.07010	4.6
192.04175	1.7
192.07632	2.2
193.04993	2.4
198.18523	2.1
199.03896	4.6
203.07036	13.5
205.05037	6.1
206.19070	2.1
207.06523	10.5
211.19197	2.8
216.07373	1.3
217.04970	5.5
221.08022	2.1
229.04988	1.2
231.06528	21.5
232.20538	1.5
233.09161	1.5
233.15390	1.2
249.07597	64.3
249.23520	1.2
250.07878	1.4
254.08417	1.0
258.08240	1.3
265.23895	23.1
267.08652	17.7
268.08749	1.0
275.05438	1.1
276.88077	1.0
282.08145	1.4
291.25418	2.1
307.12997	1.8
309.26465	10.0
335.11740	1.2
339.13379	1.1
342.10419	3.4
353.13354	10.5
366.96844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0845
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
52.60267	1.8
63.53654	1.7
69.03426	3.2
70.50300	6.6
80.17329	1.7
85.02919	5.4
97.02936	3.0
127.03949	3.9
143.01891	2.4
145.04964	3.2
161.03008	3.5
183.05083	4.2
192.05595	2.7
203.03958	2.2
209.89697	2.0
217.19501	2.2
245.05118	4.3
263.06219	3.1
273.54318	2.2
353.08466	100.0
354.08667	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	352.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01870	4.8
55.05513	11.5
56.05014	1.3
57.03404	1.0
57.07069	2.7
60.04508	3.3
65.71258	0.9
67.05504	14.0
69.03416	1.7
69.07069	7.1
69.54737	5.8
69.55144	1.9
70.06548	1.1
71.04982	1.0
72.08151	6.1
79.05489	9.7
81.07059	14.7
83.04974	2.7
83.08632	6.4
85.06540	1.6
86.09731	5.0
86.41396	1.0
90.09211	1.6
91.05489	9.8
93.07037	10.8
95.04970	17.5
95.08607	9.5
97.06510	2.1
97.10155	2.0
98.06034	1.2
98.09785	1.1
98.20797	2.2
100.11258	52.5
105.07030	10.0
107.04951	5.8
107.08588	9.6
109.06514	2.4
109.09561	1.0
109.10181	10.8
111.08071	1.6
112.11251	1.6
114.12813	54.8
115.13151	1.2
117.06989	2.8
119.08586	3.6
121.06486	4.0
121.10149	3.1
123.08069	2.0
123.11728	2.5
125.09635	5.3
128.10654	1.2
129.68388	1.1
131.08559	3.6
133.06494	1.3
133.10143	13.9
135.08089	1.1
135.11707	2.2
137.09605	1.8
140.10707	100.0
141.11124	1.1
142.12282	12.9
145.10130	4.0
147.11674	2.2
149.09662	7.0
149.13281	1.3
150.12738	1.3
151.11223	4.8
156.13829	11.5
159.11653	1.6
161.68715	0.9
163.11192	9.3
171.14780	1.1
175.09676	1.5
177.12823	4.5
182.11792	1.1
184.13303	1.2
191.10689	2.1
193.12265	1.4
209.11760	10.2
211.13316	1.8
229.19514	2.2
247.20593	3.7
257.19171	2.0
261.22073	1.2
274.21881	1.6
275.20074	24.8
276.20248	1.0
277.90665	1.0
292.22769	7.7
293.21121	59.0
294.21405	2.5
310.23758	22.8
334.23727	6.8
352.24933	16.2
352.31772	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	352.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.7
56.94939	0.8
57.03437	1.5
57.07074	6.0
59.05001	4.5
61.02941	1.0
67.05505	8.7
69.03431	2.6
69.07072	10.8
69.78109	4.4
70.06603	4.3
71.05002	9.4
72.08154	1.1
73.06561	1.9
79.05521	1.3
81.03432	2.1
81.07065	1.8
83.04958	1.1
83.08628	13.2
84.04490	1.2
85.02900	6.7
85.06552	12.8
91.05491	2.8
93.07080	1.1
95.04967	0.9
95.08622	3.3
97.02916	1.8
97.07645	0.9
98.21461	1.3
99.04475	1.7
99.08125	0.9
101.06039	4.2
101.09716	1.0
101.42342	0.9
105.07014	1.1
107.04964	2.0
107.08607	0.9
109.02888	2.9
109.06511	1.0
109.10160	34.6
111.11725	1.1
112.08703	0.9
113.06012	15.4
113.09662	2.0
114.05540	1.0
114.10282	1.1
119.08649	1.2
120.08076	2.4
127.03929	1.8
127.11201	2.8
129.09128	28.7
137.09625	3.1
144.10265	0.9
155.10675	52.3
159.11328	1.4
167.07050	15.5
173.11743	100.0
174.12120	2.7
177.05467	1.9
181.05006	1.0
191.06987	1.2
209.08200	2.5
214.14565	0.9
279.08762	1.0
297.07516	1.0
316.66342	0.7
352.07291	1.1
352.18741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.7
53.99282	4.4
55.01880	7.7
55.05509	49.7
57.03439	24.1
57.07047	9.7
61.02915	23.8
67.05169	8.1
67.05503	89.1
69.03420	15.1
69.07069	67.6
70.84731	15.5
71.04990	7.8
71.08630	54.1
73.02905	21.9
77.00897	4.5
79.05494	50.8
81.03407	12.0
81.06591	5.1
81.07058	93.2
83.04976	12.9
83.08621	36.3
85.02901	25.7
85.06543	5.6
91.03962	24.9
91.05484	31.8
93.07058	59.6
95.04971	16.0
95.08614	60.5
97.02886	29.2
97.06555	10.6
97.10153	15.5
99.04498	5.0
99.08101	29.0
105.07021	36.7
107.08597	38.8
109.06486	6.6
109.10149	27.8
111.08052	9.0
111.11693	5.4
117.06989	8.6
119.01947	9.1
119.08600	32.7
121.10146	34.9
123.11676	4.5
127.03933	10.9
129.06995	6.4
131.01965	7.3
131.08574	9.1
133.03465	37.4
133.10114	22.5
133.36769	4.5
134.03644	4.6
135.11694	35.9
135.99213	4.2
137.09650	6.0
143.01901	11.3
145.03481	5.7
145.10097	10.6
147.11671	19.5
148.04738	19.2
149.13258	18.6
151.04495	20.7
151.11143	11.6
155.01932	6.1
156.05003	5.1
157.03461	6.3
159.55551	6.9
161.02985	15.6
161.13263	14.5
163.11218	7.9
165.12929	5.1
166.61674	4.4
171.11678	8.3
173.02963	9.2
173.13272	7.6
174.99167	5.2
175.04549	16.9
175.14778	9.4
179.14319	100.0
187.04552	14.0
201.06114	10.7
211.04501	8.5
217.05614	15.7
220.06844	11.9
259.20532	20.9
270.15601	14.4
270.65836	11.9
277.07761	5.5
277.21631	53.0
279.16028	7.8
290.67224	8.9
291.17245	4.8
295.08865	11.1
303.21594	5.7
321.22766	33.8
322.22873	12.1
333.13452	6.8
339.23880	11.0
342.80548	5.5
344.24274	5.2
351.18494	28.7
351.25327	67.3
351.68707	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	351.2894
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
55.05506	9.4
57.07092	4.9
60.31638	2.1
67.05490	5.6
69.07062	7.4
70.03900	2.6
70.27072	8.8
71.08648	3.3
73.96407	2.1
80.35461	2.0
81.07042	6.6
83.08609	3.2
85.10223	2.1
95.08637	5.3
98.21486	3.3
107.04927	2.7
107.08611	3.9
109.06512	2.9
109.10154	3.2
121.10146	2.4
123.11686	2.7
125.05956	4.1
137.05986	100.0
151.07576	2.9
188.73994	2.5
225.53818	2.2
238.82614	2.7
253.77757	2.6
333.27899	27.3
351.28931	19.3
352.29266	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	5.2
57.07074	11.8
59.15708	1.1
60.04520	3.8
69.03428	3.4
70.06580	4.1
70.72567	2.0
70.72958	1.9
73.02937	1.1
74.02438	6.3
74.06068	4.1
74.08288	1.0
81.03441	1.5
81.07056	1.2
83.04985	1.4
84.04518	8.8
85.02903	6.2
85.06565	5.7
86.03707	2.3
88.51293	1.1
95.04958	2.7
96.04491	10.7
97.02895	3.3
97.06515	2.3
98.97571	2.1
99.04419	1.2
100.05103	1.4
102.05560	10.3
106.81919	1.0
109.02876	1.0
111.04420	1.6
112.04005	2.3
112.07629	1.1
113.04742	5.2
113.06015	1.0
114.05535	29.8
116.98602	1.4
123.04430	4.1
125.06002	2.3
127.03947	2.1
130.05013	1.6
130.84650	1.0
131.07051	1.1
132.04462	14.8
137.02370	5.4
139.03905	2.2
140.07007	1.2
141.01817	1.6
146.06125	1.1
148.03918	2.0
151.03903	2.2
155.07089	1.3
158.04483	11.7
158.08105	1.3
159.05284	24.7
160.06068	30.9
161.01208	1.2
163.03894	2.2
170.04488	2.1
173.07016	9.9
173.08359	1.1
179.03468	1.7
191.08136	4.3
198.11198	1.3
208.09599	1.0
217.07169	1.4
226.10803	1.3
237.02901	1.2
244.11839	30.7
254.10291	1.6
269.05228	1.4
272.11325	2.8
290.12347	100.0
291.12558	1.1
320.93668	1.0
352.10010	1.3
352.15149	1.3
352.19580	1.6
353.08325	12.5
353.13333	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01862	4.8
55.05259	1.5
55.05509	18.4
57.03434	11.0
57.07067	5.0
64.96769	1.1
65.03925	1.7
67.05504	43.5
69.03432	1.8
69.07069	16.0
69.41963	10.6
70.06575	2.2
70.20434	1.0
71.04984	3.5
71.08633	8.7
75.04490	2.1
77.03941	1.5
79.05492	53.7
80.05817	2.2
81.03401	3.5
81.07056	45.9
83.04983	3.3
83.08616	9.7
85.02908	1.3
85.06520	2.6
85.10164	4.2
91.05481	42.0
93.07044	63.4
94.07356	1.3
95.04972	6.4
95.08604	38.3
97.02908	1.2
97.06528	5.0
97.10150	3.7
99.08095	11.4
105.07032	45.0
107.04951	3.2
107.08595	43.6
107.09220	0.8
109.02872	1.2
109.06511	4.5
109.10159	14.7
111.08081	5.1
113.09627	7.7
117.07004	11.1
118.65015	1.1
119.08581	42.2
121.06531	2.6
121.10146	35.0
123.08081	1.5
123.11707	4.2
125.09572	1.7
127.11180	1.2
128.06210	1.4
129.05460	1.5
129.06995	8.0
131.08560	18.2
132.04442	2.4
133.10130	39.3
135.08115	2.4
135.11685	33.3
137.06009	6.1
137.09610	2.5
137.13258	2.0
143.08543	8.1
145.10118	16.8
147.08052	2.3
147.11684	38.3
149.09599	4.4
149.13252	18.5
151.11186	5.5
157.10158	8.3
159.11707	15.3
161.09602	3.5
161.13254	32.3
163.11198	8.5
163.14801	7.8
165.12773	7.4
170.73332	1.1
171.11674	13.7
173.13254	11.2
175.11194	2.6
175.14824	15.6
177.12691	3.3
179.14311	3.4
185.13257	9.6
187.14795	2.8
189.12799	3.3
189.16251	1.5
195.13689	1.2
199.14842	5.3
203.14339	1.3
207.13821	1.2
213.16417	3.3
215.17917	1.8
217.15771	1.5
217.19617	5.6
231.17441	3.4
231.21043	9.4
241.19516	33.2
249.48257	1.3
259.20566	77.4
260.20859	2.5
261.22293	1.5
277.18286	2.8
277.21622	27.3
278.21881	1.3
284.12625	1.5
295.19016	1.4
311.58246	1.3
329.06082	1.3
333.24319	9.0
351.21472	7.1
351.25296	100.0
352.25272	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02771	1.1
53.03941	3.4
55.01860	2.0
55.05513	17.8
55.27748	1.2
56.65669	1.1
56.96552	2.4
57.03426	8.8
57.07065	4.1
58.20990	1.2
64.19234	1.1
65.03920	2.6
67.05504	46.3
67.44276	1.1
69.07066	17.0
69.27102	15.1
70.06582	1.5
71.04984	4.5
71.08624	1.7
75.04472	2.5
77.03893	1.2
78.87972	1.3
79.05492	67.6
81.03429	1.8
81.06577	2.9
81.07055	59.3
82.03764	1.1
82.07388	1.2
83.04968	3.2
83.08620	10.3
85.06527	3.9
85.10186	2.2
90.73611	1.2
91.05482	48.4
93.07045	91.1
95.04951	7.9
95.08607	38.7
95.09066	0.9
97.06519	3.4
97.10162	4.1
98.20721	2.6
99.08083	5.0
105.07030	56.5
106.07346	1.8
107.08596	57.5
108.08896	1.7
109.06511	3.9
109.10152	15.5
111.08080	3.2
113.09638	4.1
117.07034	13.4
119.08576	49.4
120.08939	1.4
121.06524	1.7
121.10138	43.8
123.08096	3.5
123.11707	4.5
128.06303	1.7
129.06996	9.2
131.08559	20.2
133.10126	42.3
135.08058	2.4
135.11694	45.3
137.09631	2.5
143.08546	11.1
145.10120	22.8
147.08101	1.7
147.11687	49.4
148.12018	1.4
149.09656	5.1
149.13261	31.5
151.11211	2.8
157.10141	10.4
159.11688	17.0
161.09579	1.3
161.13257	35.6
162.13556	1.6
163.11203	4.8
163.14838	10.7
165.12778	3.2
171.11691	12.8
173.13242	12.4
175.11217	4.3
175.14818	15.5
177.12762	2.7
185.13268	12.6
187.14833	2.5
189.12653	2.1
189.16359	2.3
199.14809	7.9
203.14276	1.6
213.16341	6.3
217.19637	2.4
221.15356	1.8
231.17476	4.2
231.21074	9.5
235.16959	1.3
241.19519	38.1
241.37189	1.3
242.19824	1.5
259.20575	95.6
260.21008	2.9
261.22372	1.6
277.21603	19.3
293.21045	1.3
295.22452	1.5
333.24222	10.5
351.18228	4.3
351.25299	100.0
352.25458	4.2
367.18005	2.2
369.19394	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.01863	4.8
55.05515	22.2
57.03177	1.6
57.03432	15.4
57.07074	6.8
57.73922	1.2
59.35175	1.2
62.25431	1.4
64.52261	1.2
64.77869	1.3
65.03934	2.6
67.05505	63.3
69.03424	1.8
69.06718	2.0
69.07068	22.6
70.81097	2.8
70.81428	2.9
71.04984	4.3
71.08635	34.3
79.05495	63.3
79.44983	1.2
80.98990	1.5
81.03428	8.2
81.07056	68.4
81.33419	1.4
83.04988	9.9
83.08627	12.8
85.06532	4.9
85.10194	2.9
91.05482	45.1
93.07044	85.3
94.07368	1.3
95.04974	14.9
95.08606	44.8
96.08923	1.7
97.06538	7.8
97.10168	6.3
99.08096	25.5
105.04465	1.3
105.07034	44.0
107.04954	6.9
107.08594	50.5
108.08910	1.3
109.06506	6.0
109.10157	21.2
111.08128	6.1
113.09657	7.3
117.06995	9.6
119.08587	39.1
119.21238	1.4
121.06506	2.4
121.10149	39.8
123.08083	3.5
123.11694	3.8
125.09566	2.8
127.11147	1.6
128.06250	1.6
129.06993	5.0
131.08563	16.6
133.06473	2.3
133.10136	37.6
135.08069	2.8
135.10675	2.5
135.11694	47.2
137.09651	4.5
141.09096	1.8
143.08595	5.8
145.10139	15.5
147.11687	29.4
149.09636	3.8
149.13263	19.8
151.11177	18.3
153.12769	1.5
157.10110	8.0
159.11671	13.6
161.09578	2.5
161.13266	28.0
163.11122	6.7
163.14813	6.0
165.12737	5.2
167.10692	2.1
171.11707	10.9
173.13268	7.6
175.11211	2.4
175.14825	12.3
177.12726	5.3
177.48123	1.3
179.14313	64.5
180.14682	1.5
185.13266	9.4
189.11215	2.0
189.12753	4.5
190.12305	6.3
195.13805	2.2
199.14876	7.0
203.14403	1.8
213.16399	1.8
215.17947	2.8
217.19589	3.1
231.17458	3.0
231.21136	5.2
235.16945	4.2
241.19501	23.1
249.22215	1.8
259.20587	57.5
260.21027	2.0
277.21628	50.9
278.22107	1.9
292.06348	1.5
333.24237	6.9
334.15924	1.4
349.17166	1.2
351.25308	100.0
352.25656	5.9
352.90289	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01874	11.3
55.05266	2.4
55.05514	37.0
56.05048	2.7
56.96569	3.2
57.03447	17.0
57.07074	8.4
65.03941	3.1
67.05507	73.7
68.76775	2.1
69.03428	4.0
69.07076	29.6
71.04975	3.8
71.08637	50.5
71.30413	5.7
79.05496	46.9
81.03416	10.4
81.07064	64.8
83.04990	7.9
83.08626	19.6
85.06542	4.4
85.10187	4.1
88.01681	2.1
91.05483	36.8
93.07052	54.5
95.04974	15.5
95.08609	48.7
95.09167	4.0
97.06564	9.9
97.10184	12.0
98.09697	6.3
99.08103	45.5
105.03383	3.5
105.07030	33.9
107.04967	5.8
107.08604	40.3
108.08170	2.6
109.06516	6.0
109.10167	20.3
111.08082	10.8
111.11699	2.3
113.09666	6.8
117.07037	8.7
119.08588	30.1
121.06564	2.7
121.10143	21.2
121.50832	2.0
123.08076	6.0
123.11716	3.8
125.09640	10.4
129.07001	5.5
131.08589	7.5
133.10141	20.6
135.11690	21.8
137.09633	4.5
137.13309	3.9
138.09134	3.9
140.10724	2.4
141.09114	2.0
143.08560	6.6
145.10114	13.2
147.11710	15.6
149.02353	8.3
149.13271	14.3
150.06329	4.0
151.11180	20.7
157.10136	2.8
159.11717	6.1
161.13246	18.8
163.11198	15.1
163.14828	4.3
165.12822	7.8
171.11768	7.8
173.13217	5.0
175.14845	9.7
179.14314	28.4
185.13255	5.0
189.11250	2.6
193.04990	12.2
199.14914	3.5
205.02843	2.1
207.13919	2.6
217.19464	2.6
221.15503	5.1
229.23599	3.1
231.21172	6.1
235.16992	3.6
237.24904	2.1
241.19510	12.9
259.20639	22.8
261.77768	2.3
264.52139	2.4
275.20309	2.9
277.21664	59.3
292.22653	2.2
333.22379	2.6
347.06235	2.7
351.21481	13.5
351.25339	100.0
352.25412	11.0
369.19226	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
53.63323	0.7
55.01873	70.0
55.05512	32.5
56.05032	0.7
56.96546	1.7
57.03438	16.5
57.07077	11.1
58.06581	0.9
59.04976	1.0
65.03912	1.2
67.05505	41.7
69.03408	1.5
69.07068	17.8
69.66708	2.0
69.67126	3.1
71.04952	3.0
71.08627	6.6
79.05496	24.2
81.03388	3.2
81.07059	49.7
83.04546	0.9
83.04984	11.0
83.08620	19.3
84.08134	0.7
84.21320	0.8
85.06508	2.7
85.10185	19.6
91.05483	24.4
93.07047	27.5
95.04975	9.5
95.08605	31.5
97.06526	11.2
97.10141	4.8
98.09663	2.9
98.20830	1.3
99.08094	5.5
105.07029	19.8
107.04972	6.6
107.08595	15.7
109.06527	7.1
109.09469	0.8
109.10162	12.8
111.08083	71.6
111.11712	0.9
112.08418	1.2
113.09653	23.2
117.07014	3.7
119.07810	0.9
119.08585	11.9
121.06465	1.3
121.10139	12.6
123.08083	5.6
123.11709	6.7
125.09585	2.5
129.06975	2.8
131.08569	5.0
133.10133	20.9
135.11702	10.9
137.05940	1.8
137.09589	3.0
137.13216	2.9
139.11234	3.5
140.10684	1.8
143.08591	1.8
145.10143	4.0
147.08041	1.3
147.10638	1.2
147.11685	13.1
149.09631	5.5
149.13257	9.0
151.11200	8.9
151.14764	1.3
153.09099	1.8
153.12753	8.0
157.10088	2.7
159.11673	2.7
161.09590	1.6
161.13271	7.8
163.11177	6.7
163.14853	3.7
165.12766	20.0
167.10620	1.2
167.14287	1.1
171.11699	3.1
173.13237	2.2
175.11183	3.2
175.14848	3.7
177.12740	2.4
177.16539	0.8
179.14304	5.7
181.12241	3.0
185.13261	2.8
187.13293	1.7
189.12781	1.1
189.16396	0.8
193.12280	2.0
193.15907	1.2
197.11755	2.0
199.14835	0.9
203.14232	1.1
207.13799	2.1
213.16461	1.2
217.19479	0.7
221.15356	2.8
221.22607	0.8
231.21056	4.4
241.19487	4.3
249.22160	11.2
259.20551	6.9
273.05368	0.8
275.20181	1.3
277.21634	100.0
278.21985	4.8
292.22760	1.8
295.22714	10.5
295.43320	0.7
333.17358	0.7
346.70425	0.8
351.25311	57.1
352.25183	5.2
369.19397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2147
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01857	0.6
55.05501	0.9
56.96563	0.8
57.03444	0.4
67.05503	1.4
69.03433	1.0
69.07066	1.4
70.31428	0.4
71.08630	0.7
71.26971	0.8
79.05505	1.8
81.03416	1.2
81.07053	3.2
85.02934	0.5
91.05489	1.5
92.07123	0.7
93.07025	1.8
95.04980	0.6
95.08618	1.5
97.02876	0.6
97.06558	0.5
97.10171	0.5
99.08083	0.6
105.07043	3.0
107.04964	0.5
107.08575	1.7
109.02886	0.8
109.06549	0.4
109.10177	0.8
117.07046	0.7
119.08591	1.6
121.10136	1.1
127.03905	0.7
131.08565	0.6
133.10124	2.6
137.06007	0.5
145.10139	1.3
147.11772	0.8
149.09659	0.6
152.70987	0.4
161.09671	1.7
163.11198	0.9
170.83772	0.4
171.11717	0.5
175.11223	0.4
185.13130	0.4
189.09163	0.4
201.56001	0.3
207.06567	0.4
207.10020	0.4
210.14981	0.4
210.89420	0.3
213.16284	0.5
215.11412	0.6
223.14784	0.4
231.07922	0.5
231.10806	0.6
241.15918	0.4
255.17377	0.4
271.13837	0.7
283.16858	0.6
287.20053	0.9
291.10120	0.7
292.22852	0.5
315.19519	0.9
319.09604	1.1
333.20016	0.8
351.21432	100.0
352.21674	3.9
352.25296	0.4
369.21127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	15.0
55.05500	45.2
56.96571	78.0
57.03433	31.1
61.17577	16.0
67.05518	81.4
69.07069	42.3
69.72463	61.2
69.72879	38.2
71.08625	21.5
79.05492	53.1
80.32368	16.2
81.07064	100.0
82.05677	13.1
83.04987	24.3
83.08614	27.1
83.37132	12.9
89.60029	15.0
91.05470	42.8
93.07024	86.8
95.04946	18.1
95.08614	80.2
105.07050	53.3
107.08599	50.2
109.06510	19.4
109.10180	25.3
119.08569	49.5
121.10133	34.4
133.10207	60.9
135.11676	40.7
145.10152	21.4
147.11684	44.7
149.13300	17.8
157.10193	15.4
159.11755	28.0
161.13223	32.0
165.12750	34.5
167.37599	15.1
171.11748	16.9
173.13289	17.2
229.07556	18.9
255.09186	23.5
259.20734	35.4
269.10693	46.8
270.13016	40.7
273.10336	20.2
277.21585	42.1
285.10165	28.5
289.25076	17.3
350.51141	16.8
351.15381	49.7
351.19168	89.5
351.25452	75.0
369.19495	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25344	0.5
52.07270	0.5
52.32227	0.5
55.05526	0.6
56.96568	13.7
60.04504	0.5
60.05643	0.8
65.89333	0.5
69.03424	1.7
69.15866	0.5
69.79052	3.3
70.06580	2.0
71.49377	0.5
72.08157	0.8
81.03403	0.9
84.96039	3.5
85.02907	2.3
86.09739	1.0
95.04968	0.9
97.02905	1.6
98.21468	1.1
98.97588	89.3
99.97922	0.8
101.07146	1.0
102.97044	0.6
107.04993	0.5
109.02871	0.7
110.97561	5.0
112.07572	0.5
116.98627	64.9
123.04414	1.0
127.03954	1.1
128.98611	9.0
131.00182	1.9
132.04468	4.0
134.99660	27.4
137.02342	1.5
137.05960	0.7
140.00203	2.9
140.98529	0.9
143.00183	2.3
144.13824	1.8
144.98094	0.8
145.01709	1.5
146.99670	6.0
147.03307	1.9
147.04434	0.7
148.03882	0.7
149.01218	1.4
152.98634	0.9
153.00690	3.0
158.01254	1.4
158.09276	0.5
158.15413	2.2
158.99657	31.6
161.01198	4.4
162.99153	1.8
163.02846	2.5
165.00771	1.1
165.04417	2.8
166.74501	0.5
170.99631	3.4
171.03293	3.0
175.11894	0.7
177.00720	47.4
179.02304	0.9
188.09276	1.0
189.00801	3.1
189.02419	0.7
189.04349	14.7
189.06709	0.8
190.14426	2.0
193.03851	1.4
195.01772	3.9
200.02359	3.9
201.00780	1.3
201.04407	0.8
207.05338	3.8
212.05939	0.8
219.01797	10.9
219.05263	0.8
231.05356	2.8
237.00420	1.1
237.02824	22.0
238.03064	0.8
249.06529	0.8
255.03932	2.2
260.04416	1.0
278.55624	0.6
287.19656	1.0
290.12338	1.0
291.03906	1.5
291.07489	27.8
309.08572	100.0
310.08902	2.7
332.10168	7.8
351.09619	26.6
351.19150	1.0
352.09869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95815	0.6
68.86240	0.6
70.89223	1.5
70.89624	1.3
85.02893	1.3
95.11903	0.6
111.04484	0.8
137.06032	0.8
139.03905	1.4
161.02113	28.6
170.11757	0.9
185.04243	12.0
188.12839	1.1
201.03755	0.8
206.03003	3.3
212.05385	1.0
224.04123	3.3
230.03067	1.6
248.04079	8.6
290.05212	0.6
323.07422	1.9
350.08496	100.0
351.08810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0849
Annotation	Reticulidin B
Peak:m/z	Relative Intensity
53.05161	0.6
56.96562	0.9
59.54667	0.8
61.96103	0.7
62.92422	0.7
63.05711	0.7
69.98121	1.7
69.98521	1.1
71.05015	0.7
79.24417	0.6
85.02888	1.0
88.92667	0.7
98.20803	0.7
98.97596	1.3
111.04440	1.2
116.98661	1.0
137.06000	2.3
139.03926	1.4
148.03940	1.6
158.99637	0.8
161.02115	30.0
170.11821	4.1
185.04234	11.7
188.12837	2.8
206.03017	2.9
212.05388	1.3
224.04045	3.5
230.03043	2.0
236.26550	0.7
248.04037	6.8
274.99408	0.8
290.05145	1.4
323.07410	1.5
350.08499	100.0
351.08627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21950	0.6
52.35998	0.5
55.01871	1.1
55.15719	0.6
56.96559	2.6
57.03433	1.0
58.85759	0.6
60.04512	0.7
61.02914	1.5
65.03936	4.6
67.05519	1.1
68.99788	1.6
69.03434	3.8
70.06585	1.9
71.04993	0.7
71.35324	0.7
71.35673	1.7
73.02907	1.0
75.02286	0.6
81.03416	2.4
81.60027	0.6
83.04960	3.3
84.18356	0.6
84.96028	0.9
85.02917	12.9
93.03396	1.6
93.07053	0.7
95.04946	1.2
97.02917	4.1
98.97579	5.3
109.02899	1.5
110.97585	0.8
111.04454	23.1
116.98648	5.4
117.42831	0.7
121.02843	1.0
121.03992	1.2
123.04430	1.3
127.03908	2.8
128.98601	2.0
132.04451	2.6
134.99658	4.2
139.03914	70.9
140.04231	1.0
143.00172	0.7
145.04973	2.7
146.52257	0.6
146.99661	1.7
148.03958	6.5
149.04337	1.1
156.04199	1.8
158.99646	2.0
161.00941	1.0
161.02130	15.1
170.99777	1.0
171.06540	100.0
172.06882	1.0
177.00732	4.5
180.08728	1.3
185.04280	5.6
189.00768	0.8
206.03029	2.9
212.05367	0.9
219.01808	2.2
224.04160	3.2
230.03026	1.6
237.02838	4.8
248.04085	6.6
290.05157	0.8
323.07510	0.7
327.24319	0.7
350.08493	55.2
351.08743	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07709	0.6
51.80333	0.5
55.05512	1.7
59.05005	1.3
60.04531	3.9
67.05510	1.4
69.07062	2.6
69.84436	1.1
69.84855	2.8
71.04999	12.4
73.06564	3.0
79.05493	2.0
79.95929	0.6
81.07060	13.1
83.08593	0.9
85.02893	1.8
91.05486	4.1
93.07044	11.1
95.08588	1.8
97.06543	1.4
98.21437	0.6
105.06989	0.7
107.08596	6.7
109.02876	0.8
109.10140	1.8
122.53608	0.6
135.11700	17.1
147.04442	1.8
151.04083	0.6
153.12752	100.0
154.12915	0.7
175.03778	0.6
251.08092	0.6
267.31082	0.6
314.27011	1.1
332.27777	0.9
350.29187	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	350.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28690	5.9
60.05666	34.9
69.93156	18.8
69.93591	22.8
70.06601	79.3
71.04987	10.9
71.06923	29.1
72.08164	10.6
76.77481	6.4
80.44582	6.8
84.08142	16.1
85.02894	11.1
112.08730	7.4
116.07089	21.5
117.07503	10.5
130.09741	8.1
142.12236	26.6
144.63565	6.6
158.09218	10.3
161.02107	18.2
170.11833	14.7
175.11945	82.9
176.12305	62.2
188.12842	64.3
197.99551	6.4
214.32448	6.6
350.08466	63.4
350.13705	89.5
350.17682	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.65314	0.3
55.01865	0.6
55.05518	4.1
57.03439	0.6
57.07078	1.3
59.04996	0.3
60.82333	0.4
67.05505	3.3
69.07069	7.6
70.87126	0.8
71.04983	1.1
71.08633	0.8
73.06551	0.8
76.66566	0.3
79.05498	2.8
81.07058	6.4
83.04976	0.7
83.08619	3.6
85.06540	0.7
91.05508	1.7
93.07052	4.8
95.04973	1.0
95.08609	6.5
97.06531	2.2
97.10192	0.7
99.08120	0.4
105.07023	2.3
107.08600	4.4
109.06520	8.5
109.10150	3.5
111.08087	1.6
114.50324	0.3
119.08573	3.6
121.10145	3.3
122.07278	0.8
123.08074	52.1
123.11691	1.3
124.08424	0.5
125.09633	1.6
131.08572	0.8
133.10115	2.4
135.08060	3.8
135.11691	1.6
137.09624	2.3
137.13252	0.8
143.93065	0.4
145.10155	0.9
147.11700	1.4
149.09619	1.2
149.13266	1.9
151.11194	0.8
159.11691	1.1
161.13242	1.1
165.12706	0.5
173.13252	0.7
177.12744	0.6
179.14314	8.6
195.98274	0.3
233.18987	0.9
275.20102	1.7
289.25204	0.9
293.21100	14.0
294.21512	0.9
303.26855	0.5
307.22775	0.7
331.26395	2.5
349.27390	100.0
350.27734	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.73531	2.2
55.00176	2.0
55.05512	6.9
57.07072	2.4
67.05498	9.6
69.07053	7.9
71.10596	2.1
71.10928	4.8
71.56304	1.9
79.05494	6.1
81.07056	13.1
82.68446	2.4
83.08624	5.4
91.05473	3.1
93.07067	6.3
95.08599	6.6
97.06538	2.5
105.07046	4.6
107.08597	8.2
109.06543	12.1
109.10141	4.0
119.08575	6.0
121.10115	3.4
123.08081	50.7
125.09638	9.5
133.10141	4.2
135.08134	3.8
135.11697	2.3
137.09631	3.8
145.10133	4.2
147.08040	2.8
147.48386	2.4
159.11543	2.2
165.09177	3.0
179.14346	4.0
225.11192	2.3
228.49982	2.0
275.20187	5.1
293.21161	15.4
331.26093	3.1
349.27386	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05521	4.4
57.07073	0.9
67.05508	4.8
69.07078	7.0
70.21809	1.9
71.05000	1.0
79.05502	2.8
81.07057	6.1
83.05008	0.7
83.08614	3.4
85.06551	0.8
91.05466	1.8
93.07053	3.9
95.04978	0.6
95.08607	6.5
97.06528	1.6
97.10165	0.5
99.08070	0.7
105.07053	1.9
107.08589	4.7
109.06525	6.4
109.10153	3.4
111.08084	1.6
119.08573	2.6
121.10133	2.7
123.08078	48.8
123.11722	1.5
124.08353	0.8
125.09620	1.7
131.08589	0.7
133.10130	3.3
135.08058	4.2
135.11729	1.7
137.09645	3.1
142.72180	0.6
145.10117	0.9
145.35971	0.6
147.11674	2.0
149.09579	1.1
149.13269	1.1
159.11720	1.2
161.13283	1.2
172.57419	0.5
177.12955	0.6
179.14313	2.6
233.19136	0.6
275.20050	2.6
293.21140	15.1
303.26636	0.7
307.22800	1.1
331.26389	3.1
349.27393	100.0
350.27731	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03953	0.4
55.01880	0.4
55.05515	4.8
57.03417	0.4
57.07072	0.9
59.05014	0.5
59.20040	0.3
67.05508	4.2
69.06716	0.6
69.07074	8.8
70.72115	1.1
71.04994	1.4
71.08632	0.6
71.25790	0.4
73.06564	0.5
78.99042	0.3
79.05502	2.5
81.07063	7.8
83.04987	0.9
83.08624	3.3
85.06565	0.7
91.05469	1.6
93.07046	4.2
95.04965	0.4
95.08613	6.1
97.06535	1.3
97.10168	1.2
105.07039	2.3
107.08601	4.8
109.06532	8.5
109.07260	0.6
109.10141	2.9
111.08096	1.5
117.07046	0.5
119.08589	3.3
121.06497	0.5
121.10163	3.4
121.64663	0.3
123.08079	51.4
123.11709	1.4
124.08405	0.9
125.09649	1.7
131.05008	0.4
131.08588	0.6
133.10150	2.8
135.08075	4.2
135.11697	2.1
136.08859	0.4
137.09618	3.4
137.13278	0.6
145.10141	1.2
147.11713	1.7
149.09628	1.1
149.13283	1.7
151.11215	0.7
151.14915	0.6
159.11691	0.8
161.13269	1.2
163.11203	0.6
165.12816	0.5
173.13281	0.5
179.14322	8.9
231.16078	0.5
233.19051	1.0
247.20349	0.4
275.20068	1.8
289.21988	0.4
289.25262	1.0
293.21118	14.1
294.21518	0.7
303.27045	0.4
307.22867	0.9
311.84579	0.4
331.26373	3.0
332.26691	0.5
349.27402	100.0
350.27759	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.05519	14.9
65.03934	4.8
67.05502	43.2
69.03416	5.8
69.07073	19.2
69.62991	33.0
79.05499	32.2
81.07053	55.9
83.08612	11.1
91.05484	57.2
93.07039	74.0
95.04974	41.7
95.08614	51.5
96.27912	4.7
97.06525	15.0
98.20773	7.9
105.07030	100.0
107.08591	56.5
108.77850	5.1
109.06541	12.4
109.10155	48.3
115.05445	7.0
117.07021	16.2
119.08579	89.0
121.06506	5.2
121.10152	84.0
123.08047	8.5
123.11693	16.0
125.09634	14.1
125.75172	4.1
128.06232	8.4
129.07028	14.7
130.07834	8.0
131.08569	54.5
133.10139	49.3
135.08052	15.2
135.11691	15.8
137.09572	6.0
141.06998	7.6
142.07753	20.5
143.08549	43.3
144.09329	12.8
145.10115	65.0
147.08099	9.1
147.11705	20.3
149.09665	10.5
149.13223	7.2
155.08562	15.4
156.09277	13.2
157.10143	43.1
158.10875	9.1
159.11684	27.8
161.09637	18.1
161.13246	12.2
163.11324	6.7
169.10130	17.8
170.10869	10.0
171.11685	17.7
173.13249	23.7
175.14877	12.9
179.08549	8.9
179.14345	6.9
180.09239	5.2
181.10208	9.1
181.11835	4.7
182.10902	5.3
183.11757	18.9
184.12457	5.9
185.13258	18.3
187.14859	20.1
189.12691	5.3
194.10913	5.9
195.11670	12.3
196.12579	6.4
197.09532	5.7
197.13246	12.4
199.14842	13.2
201.16373	6.6
209.13297	27.9
211.14809	12.9
223.14809	7.9
225.16409	7.6
227.14355	12.2
237.16431	5.4
239.17947	9.0
255.17366	6.7
265.19537	6.3
275.20193	8.2
281.18921	7.6
323.41248	5.3
323.67035	5.1
331.24234	8.6
349.25009	68.6
350.25806	5.5
355.75916	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03945	3.4
55.01866	3.7
55.05510	9.3
56.96560	1.7
57.03443	8.9
57.07074	1.4
61.02925	0.9
64.42473	0.8
65.03933	1.3
67.05507	24.0
69.03434	2.7
69.07068	9.5
69.07415	1.2
70.06614	0.7
71.04991	1.9
79.05494	34.5
80.05817	0.9
81.03425	4.7
81.07057	100.0
82.07389	2.0
83.04983	3.9
83.08633	8.0
85.02911	2.3
85.06547	1.7
88.97422	0.8
91.05483	16.9
91.06008	1.3
93.07046	16.9
95.04977	7.6
95.08611	14.3
97.02913	2.3
97.06543	5.3
98.21603	1.1
98.97600	0.8
99.08092	1.6
105.07038	16.1
105.07758	0.8
107.04961	5.3
107.07878	0.7
107.08601	13.5
109.02882	1.3
109.06519	41.9
109.10160	5.5
110.06944	0.9
111.04450	0.8
111.08083	2.5
117.07024	6.3
119.08585	17.2
121.06514	2.4
121.10155	9.2
123.04400	0.8
123.08096	3.8
123.11709	3.2
125.09604	3.8
128.37024	0.7
129.07005	2.2
131.08563	9.6
133.06421	1.2
133.10121	12.7
135.08070	2.6
135.11661	3.5
137.05920	0.9
137.09599	2.0
143.08566	1.8
145.10121	10.3
147.08090	1.7
147.11691	9.1
149.06049	0.8
149.09593	5.3
149.13237	8.1
151.03911	1.7
151.07591	1.2
151.11179	2.3
155.08640	1.2
157.10115	2.3
159.08043	1.4
159.11664	5.2
161.09674	1.9
161.13231	3.4
163.11157	3.9
163.14844	2.7
165.09100	1.2
165.12830	2.4
169.10132	1.1
171.11711	2.5
173.09618	1.0
173.13239	3.5
175.11183	1.7
175.14879	1.9
177.05486	0.8
177.12775	1.6
179.02266	0.7
179.14398	1.5
181.05051	0.9
183.11774	2.0
185.13281	1.0
187.07581	1.0
187.14821	1.6
189.12862	1.1
193.12308	2.7
195.13908	0.9
197.13297	1.2
201.12787	0.8
207.13799	0.9
215.17976	1.1
229.19582	2.5
239.17966	2.5
247.20654	5.9
257.18988	6.3
259.12308	0.8
267.09030	1.7
269.10516	0.9
275.20068	33.7
276.20511	1.9
285.10129	3.1
293.21152	0.8
303.11234	1.1
331.11719	0.9
331.19208	1.3
331.22867	1.0
349.19870	11.8
349.23813	29.7
350.24008	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28195	0.7
53.03973	1.4
54.41059	0.6
55.01878	5.1
55.05513	14.1
56.96585	1.5
57.03444	14.3
57.03695	1.2
57.07100	3.0
59.36413	0.7
65.03962	1.4
67.05511	26.2
69.03459	3.3
69.07072	19.1
69.38442	1.3
69.38846	6.3
71.05010	2.4
77.66788	0.7
79.05498	23.0
81.03458	2.3
81.07061	37.2
81.28966	0.7
81.55724	0.7
83.04993	6.6
83.08620	5.2
85.06589	1.0
91.05483	24.3
93.07052	31.1
94.07396	0.7
95.04983	8.7
95.08611	20.5
95.39949	0.7
97.06512	5.2
97.10204	2.3
98.20680	1.3
103.38094	0.7
105.07037	26.4
107.04963	9.7
107.08607	21.0
107.09270	1.2
109.06512	10.6
109.10163	8.0
111.08116	1.5
115.05483	1.7
117.07018	9.6
117.07726	0.9
119.08590	20.2
121.06512	11.3
121.10156	10.3
123.04485	0.9
123.08081	5.1
123.11720	2.8
125.09634	5.1
129.07042	3.1
131.08582	19.1
131.09514	1.4
132.08910	0.9
133.06528	3.3
133.10141	21.2
133.11063	1.3
134.10561	1.0
135.08073	5.4
135.11713	4.9
137.09669	2.2
141.07030	1.3
143.08578	3.9
145.06500	2.0
145.10130	15.5
146.10530	1.0
147.08067	3.7
147.11705	12.5
149.09633	7.8
149.13260	4.7
151.10152	1.0
151.11116	4.1
152.98866	0.7
155.08578	2.2
157.10172	3.1
159.08099	1.8
159.11697	9.9
161.09657	5.4
161.13269	4.3
163.11217	6.8
163.14861	1.4
165.09195	1.2
165.12843	1.1
169.10217	2.0
171.11749	3.0
173.09686	2.0
173.13266	5.7
175.11214	2.1
175.14885	1.5
177.12804	3.1
179.10681	1.4
179.14310	1.0
183.11740	2.2
185.13364	1.3
187.11238	2.5
187.14880	1.4
189.12704	1.5
191.14378	3.1
197.13290	2.7
199.14824	0.9
201.12813	3.0
207.13850	2.0
211.14948	1.2
215.17946	1.6
219.13887	3.3
229.19554	3.6
231.17519	1.4
233.19148	1.5
237.02826	1.1
239.17900	4.6
247.20605	3.4
257.19031	15.8
264.80380	0.9
266.39233	0.8
271.06039	0.9
275.20087	100.0
276.20544	5.0
292.11578	0.9
293.21146	9.0
299.05734	1.1
318.14322	0.8
331.22610	1.3
349.19806	7.9
349.23718	53.0
350.24069	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
55.01863	12.8
55.05509	31.1
57.03439	25.1
57.07069	6.9
65.98470	4.5
67.05505	73.7
69.03410	7.0
69.07067	48.3
70.06568	7.0
71.58282	5.4
78.83631	4.7
79.05488	55.0
81.03418	29.8
81.07056	100.0
82.07362	4.6
83.04989	8.9
83.08620	24.6
85.06528	7.3
91.05482	65.3
93.07041	72.2
95.01318	15.4
95.04965	21.6
95.08607	66.0
96.69434	4.8
97.02858	6.0
97.06524	19.2
97.50035	4.4
99.08056	6.5
105.07014	76.2
107.04939	34.3
107.08610	34.3
109.06490	15.4
109.10145	15.9
111.08058	6.6
112.31582	4.7
117.07021	19.7
119.08572	54.6
121.06527	7.9
121.10123	20.6
123.08043	21.9
125.09606	15.5
129.07019	6.5
131.08571	30.7
131.12668	4.6
133.10155	53.4
135.07982	7.5
135.11687	15.9
141.06902	4.9
143.08638	7.4
145.10120	26.6
147.11690	24.2
149.09628	7.1
149.13252	6.9
152.76677	4.2
157.10149	7.7
159.11667	24.1
163.11148	15.1
171.11958	12.9
173.13353	5.8
177.12773	7.1
179.14291	26.1
183.11702	6.3
187.11229	5.7
219.17397	14.3
257.19003	13.4
275.20050	75.7
276.20291	10.1
287.30539	5.5
293.21143	5.5
301.62756	5.2
349.19849	6.6
349.23694	66.0
349.27579	8.9
349.33884	13.6
350.23907	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.4
55.01865	19.6
55.05510	40.6
56.96557	15.4
57.03436	27.0
59.04985	5.5
59.90862	3.6
61.02934	7.6
61.11098	3.6
67.05170	6.3
67.05503	73.4
69.03437	21.0
69.06767	4.7
69.07076	48.1
69.89535	11.4
69.89950	15.3
70.06604	9.4
71.04984	9.9
73.02907	5.7
79.05058	6.8
79.05499	99.7
81.03415	16.6
81.07064	75.3
83.04982	13.8
83.08621	22.3
85.02895	19.1
85.06542	5.7
91.05478	64.5
93.07053	64.1
95.04947	17.4
95.08598	27.5
97.02886	9.4
97.06530	26.3
97.10165	15.4
99.04459	4.5
99.08154	5.3
100.11256	4.7
105.07032	76.9
107.04953	20.7
107.08600	100.0
109.02872	8.3
109.06508	13.2
109.10148	28.8
111.08067	6.1
115.05531	5.0
116.98516	4.0
117.07006	18.8
119.08585	50.1
121.06501	10.0
121.10161	23.9
123.04441	4.2
123.08069	6.6
125.09621	25.2
127.03938	7.6
129.07019	11.0
131.08546	36.9
133.10112	47.2
135.08017	9.0
135.11671	12.2
137.02402	6.9
137.05920	6.7
137.09592	6.3
139.07541	5.4
143.08565	14.7
145.06505	4.4
145.10129	87.4
146.10443	6.4
147.07910	4.0
147.11667	37.6
149.02254	5.0
149.09625	28.1
149.13272	8.8
151.03908	8.1
157.10164	4.8
159.11720	29.4
161.13252	9.2
163.03908	5.4
163.11205	17.7
165.05502	3.9
165.09120	5.9
167.07031	5.4
169.10080	6.0
171.10262	4.7
171.11739	11.3
173.13255	14.5
175.10977	4.6
177.05478	7.8
177.12801	6.9
179.14328	7.2
181.05048	5.3
183.11670	14.9
185.13187	7.3
189.11205	11.9
197.13223	5.4
207.06607	6.5
211.14925	5.4
239.17960	22.2
257.19061	59.6
267.08957	5.4
275.20105	76.4
285.10147	16.2
306.11380	8.0
306.61407	6.3
317.61807	4.9
331.15347	9.8
331.19043	6.5
331.22717	11.6
349.16013	12.9
349.19821	45.6
349.23721	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01870	5.3
55.05514	13.1
57.03442	16.0
57.07075	2.5
60.15256	1.2
65.03944	1.9
67.05511	27.2
69.06783	1.2
69.07076	15.8
70.85529	4.2
71.04993	3.0
74.91423	1.1
76.18162	1.2
79.05058	1.8
79.05498	25.0
81.03414	1.8
81.07065	45.7
83.04995	6.8
83.08612	4.7
85.06552	2.3
91.04970	1.9
91.05488	21.8
93.07052	30.4
95.04980	10.3
95.08613	21.4
97.06536	3.9
97.10192	2.1
98.98451	1.6
103.05522	1.4
105.07038	26.3
106.07359	1.6
107.04947	10.6
107.08614	21.6
109.06539	16.4
109.10171	9.7
111.08070	3.0
117.07036	10.2
119.08590	16.4
121.06525	12.3
121.10147	9.9
123.08105	6.7
123.11686	2.1
125.09637	4.0
129.07011	2.1
131.08582	18.3
133.06453	1.5
133.10149	18.9
135.08037	3.5
135.11700	7.0
137.09619	2.9
141.06963	2.1
143.08562	2.3
145.06496	1.8
145.10156	14.5
146.10445	1.6
147.08069	4.1
147.11708	10.9
149.09634	6.5
149.13271	3.1
151.11159	4.7
155.01091	1.6
157.10135	3.4
159.08110	2.1
159.11725	9.3
161.09618	3.5
161.13277	4.1
163.11205	7.3
165.12778	1.7
169.10133	1.5
171.11757	2.2
173.09593	1.7
173.13235	6.1
175.11192	3.4
177.10941	1.4
177.12718	3.4
183.11613	1.7
187.07565	4.6
187.14803	1.5
189.12717	1.6
191.14272	4.2
195.11707	1.6
197.13310	1.7
201.12730	3.6
207.13815	3.5
209.69188	1.3
215.17906	1.5
219.13800	3.9
229.19534	2.8
239.17920	4.2
247.20610	5.1
257.19034	14.6
275.20087	100.0
276.20425	5.7
286.98865	1.4
287.28027	1.6
292.12360	1.3
293.21164	9.0
326.38623	1.7
349.19821	16.7
349.23758	51.7
349.31042	2.6
350.20129	1.8
350.23914	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10407	0.7
53.03941	2.2
55.01874	5.2
55.05263	1.0
55.05513	15.4
57.03180	1.3
57.03439	15.2
57.07058	2.7
57.07314	0.9
65.03934	2.1
65.07777	0.7
67.05506	33.5
69.03420	2.3
69.07071	21.4
70.29587	0.8
70.29928	3.5
71.04989	2.4
74.74146	0.7
77.75356	0.6
79.05495	29.4
80.05833	0.8
81.03403	1.5
81.07059	51.3
82.07388	1.0
83.04993	7.4
83.08620	6.3
85.06551	1.4
91.05483	25.1
93.07052	31.4
94.07369	0.9
95.04971	9.9
95.08608	24.0
97.06540	3.9
97.10155	2.1
99.08065	1.1
105.07033	30.0
106.07366	1.0
107.04969	10.9
107.08598	23.3
109.06525	22.3
109.10155	10.6
109.10833	1.2
111.08080	2.8
117.07021	9.7
119.08579	19.4
120.08872	0.9
121.06506	11.9
121.10154	13.7
123.08085	6.5
123.11714	3.0
125.06045	0.8
125.09627	2.5
129.06987	3.9
131.08578	19.2
133.06476	4.0
133.10138	20.0
134.10451	1.3
135.08049	6.4
135.11693	5.4
137.09618	2.3
143.08572	3.3
145.06468	1.7
145.10127	17.1
145.11264	1.2
146.10542	1.2
147.08051	3.8
147.11702	12.9
149.09612	8.7
149.13223	4.0
151.11197	4.9
155.08548	1.6
157.10120	2.2
159.08025	2.2
159.11693	8.9
161.09601	4.9
161.13222	4.1
163.11183	6.4
163.14821	1.4
165.12766	2.5
169.10168	1.5
171.11723	3.9
173.09608	3.1
173.13232	5.1
175.11140	4.1
175.14851	1.3
177.12743	2.4
179.10646	1.0
179.14395	1.2
183.11690	2.5
185.13301	1.2
187.11131	2.6
187.14838	1.5
187.35234	0.9
189.12772	1.0
191.14311	3.2
197.13252	1.8
199.14845	1.1
201.12738	3.7
202.13023	0.8
207.13820	3.2
213.16428	1.1
215.14380	1.8
215.17894	1.3
217.18005	0.8
219.13806	3.7
229.19493	3.3
233.15541	1.2
233.18951	1.3
239.17989	3.2
247.20567	6.1
257.18991	16.3
258.19424	1.0
275.20068	100.0
276.20435	5.7
293.21048	7.2
306.85492	0.9
331.22739	0.8
349.19797	19.1
349.23758	53.6
350.20215	1.1
350.23984	2.4
370.39438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.86475	0.5
55.01875	4.7
55.05261	1.0
55.05514	12.1
56.96566	4.4
57.03440	15.6
57.07077	3.0
58.03730	0.6
58.23697	0.6
63.37431	0.5
65.03925	1.3
65.50719	0.7
67.05507	29.3
68.05832	1.0
69.03411	2.4
69.07071	18.8
70.78101	0.8
70.78435	1.2
71.04984	2.3
71.08621	0.6
77.03937	0.7
79.05498	23.8
80.05812	0.8
81.03398	1.3
81.07061	36.4
82.07386	1.1
83.04981	8.5
83.08612	5.2
85.06535	1.3
88.15250	0.6
91.05486	22.3
93.07050	30.2
94.07354	1.1
95.04433	1.0
95.04976	10.4
95.08610	20.1
96.08920	0.8
97.06554	3.5
97.10157	2.4
103.05491	0.6
105.07037	26.2
106.07353	0.6
107.04960	11.2
107.08599	17.4
108.08910	0.6
109.06523	13.3
109.10151	7.9
111.08077	1.8
115.05431	0.8
117.07024	8.9
119.08586	16.6
121.06519	12.3
121.10155	10.0
123.08066	6.2
123.11702	3.3
125.09598	1.6
127.03730	0.5
129.07037	2.8
131.08580	16.7
133.06509	3.6
133.10133	18.3
135.08047	5.4
135.11696	6.9
137.09644	2.1
141.07010	1.3
142.07726	0.7
143.08607	3.2
145.06490	2.2
145.10133	13.5
147.08075	3.6
147.10591	0.4
147.11694	11.7
149.09641	6.3
149.13226	3.5
151.11195	5.2
153.09076	0.8
155.08549	2.3
157.10150	3.7
159.08090	2.9
159.11703	9.5
161.09628	3.6
161.13274	4.1
162.13617	0.7
163.11169	6.7
163.14790	0.8
165.09045	0.9
165.12810	1.2
169.10132	1.3
171.11726	2.3
173.09596	3.1
173.13255	6.6
175.11142	2.9
175.14783	1.3
177.12746	2.5
179.14348	0.8
183.11688	2.6
185.13327	1.0
187.11194	2.5
187.14868	2.2
189.12762	1.5
191.14293	2.3
197.13214	2.2
199.14830	0.9
201.12785	2.9
205.12210	0.8
205.15866	0.7
205.19588	0.8
207.13847	3.9
213.16368	0.9
215.14333	1.3
215.17995	1.8
217.07484	1.1
219.13834	4.3
219.17284	0.6
220.56694	0.6
229.07414	0.9
229.19467	3.3
231.17517	1.5
233.15329	0.7
233.19142	0.9
237.14705	0.9
239.18024	4.2
247.20566	4.1
255.09074	1.3
257.19025	15.7
258.19464	1.0
268.90997	0.7
269.10675	1.6
275.20078	100.0
276.20456	6.0
285.10129	1.1
287.11490	0.7
293.21173	9.9
331.15759	1.7
331.22772	0.7
349.17191	5.4
349.23737	47.7
350.23868	3.6
367.18054	2.2
372.18671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06071	1.6
52.31542	1.3
53.03704	1.3
53.03941	15.3
55.01873	18.7
55.05511	21.6
56.96565	16.7
57.03442	18.4
57.07042	1.6
58.83344	1.7
65.03909	4.1
67.05505	67.8
69.03402	3.9
69.07070	52.3
71.04957	4.3
71.58773	2.1
71.95235	2.1
75.41483	1.3
79.05492	56.2
81.03425	28.9
81.07056	100.0
82.07386	2.7
83.04976	12.1
83.08625	10.9
85.06512	3.7
91.05479	66.4
93.07046	55.0
95.01342	17.8
95.04451	1.9
95.04966	22.3
95.08607	44.7
97.06533	25.0
97.10126	3.4
99.08075	1.8
103.05441	1.8
105.07030	74.8
106.07293	1.6
106.81330	1.4
107.04954	39.7
107.08585	29.1
109.06513	18.7
109.10171	11.1
111.04410	2.4
111.08044	5.9
115.00663	1.6
115.05392	1.8
116.98567	1.8
117.07021	21.0
119.08579	46.0
120.08875	1.8
121.06473	5.7
121.09457	1.4
121.10143	14.8
123.04394	4.1
123.08072	10.8
123.11653	5.2
125.09662	7.1
126.52142	1.3
128.98581	3.3
129.06992	3.4
131.08571	32.2
133.06462	2.2
133.10133	49.9
135.08018	7.0
135.11681	12.8
137.05858	1.8
137.09576	4.0
139.07487	2.4
141.06929	4.3
143.08487	3.7
144.37471	1.7
145.06415	6.5
145.10129	22.7
146.99594	3.1
147.07986	4.2
147.10646	2.0
147.11694	23.8
149.09598	10.0
149.13304	8.2
151.11172	3.3
155.08527	2.3
157.10040	4.4
159.08151	2.7
159.11690	21.2
161.09570	2.7
161.13269	7.3
163.11124	6.2
165.09045	3.0
165.12743	2.9
169.10063	5.7
171.03256	2.9
171.11676	4.9
173.04877	2.5
173.13206	4.5
175.11137	3.2
177.12741	11.7
179.12976	1.9
179.14326	24.4
183.11600	2.9
185.04744	2.1
187.11156	7.9
189.04269	3.9
193.12294	1.5
195.13754	2.0
197.13179	3.0
199.06364	2.6
201.04196	1.5
205.12141	3.3
217.07384	4.0
225.04224	2.8
229.07414	2.0
229.19350	3.3
233.15195	1.6
239.17938	3.1
241.14281	1.7
243.09073	8.7
247.20493	4.0
251.12396	2.4
255.04776	1.4
255.08925	2.1
257.18994	11.7
261.09995	5.8
275.20065	71.4
276.20248	4.6
279.09052	2.2
293.21173	3.1
297.10034	1.7
331.12070	2.5
331.15799	39.6
332.15982	3.9
349.16583	55.3
349.20178	7.2
349.23581	59.9
350.16989	7.4
350.23749	5.6
367.17923	19.5
372.18604	7.8
373.18848	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46560	0.8
53.03933	3.0
55.01870	2.4
55.05512	10.7
56.96568	1.0
57.03183	0.8
57.03441	8.2
57.07070	1.0
65.03937	1.3
67.05505	21.4
67.56209	0.7
69.03408	1.6
69.06718	0.9
69.07074	10.7
69.36606	0.7
69.36924	7.6
71.05003	1.6
79.05495	32.2
81.03408	3.4
81.07058	100.0
83.04981	3.3
83.08614	8.3
85.02915	0.9
85.06552	1.9
89.13582	0.8
91.05484	17.4
91.08294	0.8
93.07046	16.6
95.01306	0.9
95.04974	5.2
95.08601	14.7
96.08125	1.0
97.06518	5.0
97.10183	1.1
98.97526	0.9
99.08121	1.7
105.07030	18.0
107.04958	5.8
107.08598	12.6
108.83199	0.8
109.06523	42.2
109.10148	5.2
111.08089	2.7
117.07034	7.0
118.07892	0.8
119.08584	14.6
119.09357	1.3
121.06512	2.4
121.10150	10.4
123.08076	4.0
123.11726	2.8
125.09639	2.2
129.06975	1.7
131.08553	9.6
133.10139	12.0
135.08086	3.0
135.11702	5.9
137.05786	1.4
137.09636	2.6
143.08611	1.7
145.06497	1.1
145.10126	12.0
147.08020	1.2
147.11674	9.0
149.09610	4.7
149.13263	7.8
151.11217	1.8
155.00977	0.9
155.08578	1.1
157.10168	2.7
159.11667	5.6
161.09613	1.0
161.13257	2.1
163.11182	4.5
163.14827	3.4
165.09184	0.9
165.12787	2.4
167.07013	0.9
169.10147	2.1
171.11713	1.4
173.13330	3.0
175.11084	1.6
175.14980	1.0
177.12756	2.1
183.11726	1.9
187.14862	1.9
191.14398	0.7
193.12265	2.7
197.13332	1.3
211.14861	1.0
219.13899	0.8
221.11584	1.1
229.19507	3.8
239.17970	2.5
246.04263	0.9
247.20609	5.7
257.19022	8.2
259.12302	1.0
275.20071	40.9
276.20416	1.3
293.21127	2.7
331.18799	1.3
331.22687	1.0
349.19888	76.4
349.23849	34.9
350.20221	4.1
350.23923	1.6
367.18097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60659	1.3
53.03946	1.8
55.01873	3.1
55.05512	10.0
56.96558	2.6
57.03437	4.7
57.07084	1.4
62.56932	1.1
65.03973	1.3
67.05504	16.4
69.03449	1.4
69.07083	8.0
71.05018	1.7
71.59897	1.4
79.05500	13.2
79.72578	1.0
81.03439	1.5
81.07064	25.7
81.61401	1.1
83.04988	2.0
83.08635	3.1
86.03687	1.2
87.04508	1.0
88.88450	1.2
90.24653	1.0
91.05490	15.0
93.07054	14.1
95.05002	5.3
95.08617	11.1
96.66045	1.1
97.02910	1.1
97.06546	4.8
97.10194	1.8
98.97656	1.4
98.98518	1.3
102.18126	1.1
105.07036	15.2
107.04974	3.2
107.08593	12.3
109.06518	7.3
109.10182	5.1
116.98594	1.2
117.07034	6.1
119.08609	11.2
121.06544	3.5
121.10194	4.3
123.08087	1.6
125.09679	4.8
128.06229	1.1
129.07040	2.2
129.10031	1.0
131.08611	8.4
132.04477	2.2
133.10136	10.8
135.08069	2.0
135.11736	2.9
137.09651	1.6
143.08630	2.5
145.10114	9.1
147.08047	1.4
147.11702	6.8
149.09668	4.8
149.13376	1.0
151.11177	1.6
157.10135	2.1
159.11681	5.5
161.13295	2.9
163.11180	2.5
163.14897	1.7
165.09157	1.2
165.12831	1.5
167.07050	1.2
171.11739	1.1
173.09760	1.3
173.13330	4.1
183.11790	1.6
229.19589	1.4
230.25525	1.3
239.17967	1.3
247.20612	1.2
251.12621	6.5
257.19128	5.4
262.28006	1.3
275.20068	21.6
298.11282	1.3
315.61911	1.1
328.62399	3.8
329.12527	2.1
349.19968	100.0
349.23904	22.3
350.20215	7.1
350.24045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31150	9.4
51.40110	10.2
55.05516	12.7
56.96556	27.1
67.05501	31.9
69.07070	21.7
71.47936	8.2
79.05492	22.1
80.14491	8.5
81.07037	31.6
83.08607	19.5
83.11146	8.8
91.05521	22.3
93.07048	31.6
95.04961	14.1
95.08609	22.1
98.20731	22.8
105.07044	30.3
107.08577	28.5
109.06516	9.6
119.08625	23.5
121.10181	12.2
123.08060	33.2
125.09650	33.2
131.08566	12.7
133.10156	17.7
142.46288	8.6
145.10049	19.4
147.08015	10.8
149.09589	12.1
163.11211	9.9
179.14276	33.7
181.34328	9.4
189.65642	8.5
222.30663	8.9
229.25053	11.7
245.10535	16.7
273.85532	10.0
275.20132	28.3
349.17572	100.0
349.23584	26.3
349.27374	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05489	3.1
56.96569	38.5
57.03424	2.1
57.07061	2.3
58.44545	1.1
67.05488	4.8
69.07063	5.9
69.07364	1.0
70.06581	2.0
71.47401	2.4
71.95247	5.2
72.08110	1.2
72.96030	2.1
74.97612	1.7
79.05482	6.0
81.03439	1.7
81.07055	9.3
84.96029	2.5
91.05460	3.8
93.07018	3.7
95.04961	2.7
95.08607	5.2
97.96785	6.5
97.97295	1.0
98.97562	1.7
105.07002	3.5
107.04930	2.5
107.08560	4.3
109.06500	1.7
109.10136	1.8
110.07004	1.3
110.97572	4.0
115.97847	5.2
116.98587	1.3
117.07017	1.8
117.64314	1.0
119.08540	4.2
121.10163	1.5
123.08034	1.9
125.09587	2.9
128.98599	7.0
129.06979	1.4
131.08554	2.0
133.10146	3.3
133.98842	1.6
134.99541	1.3
137.02730	1.2
145.10069	2.7
146.99651	10.0
147.11641	1.7
149.09618	1.8
151.11101	1.5
155.00156	1.9
155.03777	2.2
157.15594	1.1
159.11685	1.2
160.00380	3.0
161.01199	3.5
163.11133	1.2
165.00677	3.1
169.01799	2.3
171.03302	2.3
173.01181	3.0
175.02803	1.3
175.11902	2.1
179.14334	1.4
185.01251	1.2
185.04813	4.2
185.98320	1.5
187.02780	2.6
189.04291	2.6
198.05801	1.4
199.02757	2.4
199.06422	2.8
201.04364	2.0
203.05884	5.4
205.07471	2.1
207.94104	1.2
208.06384	1.3
213.04234	1.3
213.07945	4.9
216.03183	1.7
217.03917	1.8
217.07404	4.7
219.03383	1.0
219.13774	4.8
221.06837	1.2
223.10172	1.9
227.05956	1.4
227.09508	1.2
231.09125	6.1
237.04434	2.1
239.09560	8.2
241.11140	29.7
242.08318	2.8
243.08981	2.6
244.09866	1.5
245.10475	1.9
253.11043	3.4
257.10550	6.4
259.12198	44.7
260.09305	3.0
260.12445	1.7
264.12747	8.0
267.09036	3.1
269.10574	4.8
275.20062	4.7
279.08978	2.5
280.09714	1.5
281.10602	1.2
282.13751	5.1
285.10101	2.4
287.11652	2.0
289.14804	1.5
297.10049	4.3
298.10822	2.9
307.15726	2.7
316.11859	2.0
320.11716	1.7
331.15686	8.1
331.22485	2.2
349.16855	56.9
349.23853	5.0
349.27576	1.4
350.17163	3.4
367.17920	100.0
368.18115	4.9
372.18430	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	349.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.0
55.01852	0.9
56.96564	3.7
60.05647	17.4
61.02913	1.0
61.27172	0.7
69.03385	2.0
69.97136	3.3
70.06593	55.3
71.04990	7.1
72.08152	5.2
73.02896	1.1
73.06504	0.9
81.03391	1.3
82.06548	1.0
84.08144	3.8
84.96011	0.8
85.02456	0.8
85.02905	5.4
95.04939	2.1
95.06098	6.4
97.02906	3.4
97.07643	1.0
97.96728	0.6
98.03168	1.0
98.06020	1.0
98.97581	11.7
99.04480	0.8
101.00850	2.4
103.05455	0.7
109.02872	1.1
110.97552	1.5
111.09180	3.1
112.08726	6.9
112.99174	0.9
113.07091	1.1
114.10284	0.9
115.08680	2.4
116.06334	1.1
116.07093	16.3
116.98640	6.2
119.01931	6.9
119.04926	0.8
122.06039	7.4
123.04408	2.3
125.80372	0.8
127.03941	0.9
128.07072	0.9
128.98602	2.2
130.09761	8.3
131.01849	1.3
131.96136	1.4
132.04456	4.0
133.03462	1.8
134.99609	2.4
136.06186	8.0
137.02229	1.7
137.05748	1.4
137.06522	3.4
138.01834	2.9
139.03914	0.9
142.08635	0.8
143.01903	2.0
145.97754	1.1
146.99628	1.7
147.03232	1.4
147.04352	1.3
148.03949	1.5
150.05527	3.2
155.01987	0.9
157.10852	1.8
158.09285	6.9
158.99651	4.0
161.01233	1.0
161.02925	2.9
167.07010	4.1
168.07445	3.9
168.99825	1.6
172.95267	0.8
173.02965	1.3
174.04070	1.0
175.11908	100.0
176.12312	1.2
177.00699	5.3
177.05518	1.6
178.05873	1.2
187.00876	2.5
187.02721	0.8
187.04459	1.3
188.09128	2.0
188.12817	2.0
189.00697	1.4
190.04993	1.6
193.00136	0.8
196.06035	1.7
196.99379	0.8
205.03761	1.0
206.03023	2.1
210.08527	1.3
215.00430	3.8
219.01770	6.1
221.05032	1.0
227.09157	1.2
228.09506	2.0
229.01967	1.3
229.03883	1.1
232.52898	0.8
234.99092	1.2
235.07086	1.6
236.05632	3.2
237.02745	4.8
242.03409	0.8
245.05032	0.8
245.12451	2.0
247.03024	4.8
248.04021	2.9
259.06754	1.5
289.04138	0.8
290.02002	1.0
290.05215	0.9
321.08826	1.1
331.12418	1.7
339.09741	1.0
342.52515	0.8
349.13663	36.0
349.17227	3.9
350.07751	0.8
350.14066	1.6
350.18042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.9
60.05654	22.9
67.01863	0.7
69.03427	1.0
70.06598	66.0
70.84569	0.7
70.84919	1.2
71.04996	7.6
72.08154	4.7
73.89298	0.5
74.02435	1.1
81.03399	0.6
82.44467	0.6
83.04961	1.0
84.08140	2.1
85.02901	0.9
85.07692	0.6
88.07631	1.2
95.04991	0.9
95.06101	6.5
97.02885	1.0
97.07648	1.8
98.06042	1.9
98.97549	0.7
111.04426	0.9
112.08746	11.1
112.75603	0.5
113.07128	2.2
113.10777	0.6
114.10316	0.7
115.08704	6.1
116.07099	21.8
119.01910	2.4
121.02894	1.9
123.04387	1.1
129.01837	1.1
130.09764	9.4
131.12926	0.6
132.04408	1.8
136.06195	1.1
137.06540	1.7
138.01859	2.1
138.05508	0.8
139.03949	1.7
140.08153	1.3
144.06581	1.0
148.03976	0.8
156.02963	0.7
157.01454	0.6
157.10892	1.3
158.09268	10.1
161.03062	1.1
161.86227	0.6
167.07054	1.8
168.35956	0.5
168.99910	0.8
169.06721	1.1
174.04004	0.8
174.89557	0.6
175.11920	100.0
176.12306	1.0
186.07655	1.1
187.00911	1.6
187.07867	1.0
190.04990	0.9
208.06046	1.6
215.00452	1.3
226.07083	1.1
235.07121	2.4
236.05583	2.0
245.12503	2.3
247.03058	3.1
248.03883	0.7
253.11952	0.6
272.11118	0.9
289.11118	0.8
290.12360	1.0
314.10001	0.8
331.12534	1.7
349.05063	1.7
349.13477	42.4
349.17276	42.1
350.08496	2.3
350.13882	0.7
350.17749	0.7
359.66525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01875	1.5
55.05500	1.3
56.05043	0.9
56.96564	1.7
57.03442	2.2
58.99593	1.2
60.05620	1.0
61.02917	1.0
65.03950	2.4
66.66352	1.0
67.05503	3.7
69.03423	2.5
69.07058	3.6
70.06603	13.8
70.13077	0.8
71.04995	1.2
71.57735	1.7
72.08152	1.4
76.02237	1.9
76.04016	2.2
79.05500	3.6
81.03417	2.2
81.06733	0.8
81.07076	9.1
83.04980	1.7
83.27585	1.0
84.04517	8.4
84.08137	1.7
85.02914	5.5
86.09718	10.3
86.99065	1.3
87.02695	3.8
87.04467	0.9
89.07201	0.9
91.05488	11.6
91.59330	0.9
93.07056	3.5
95.04966	2.9
95.08597	1.8
97.02895	2.5
97.06563	1.5
98.97597	2.0
102.84130	1.1
105.07040	2.5
107.04879	1.0
107.08594	4.3
108.02106	2.6
109.02859	2.2
109.06543	1.1
109.10147	2.2
111.04449	1.3
111.08096	1.2
116.07136	1.9
116.98617	1.4
119.04952	2.8
119.08591	1.1
120.08146	1.8
121.06489	1.4
121.10099	1.2
122.02756	4.7
122.03578	1.3
123.04420	1.4
123.08138	1.6
125.09632	3.0
127.03930	1.4
129.10197	1.1
130.05014	3.6
131.04956	0.9
133.06503	1.1
133.10147	1.8
134.99670	1.4
135.04430	1.0
135.08141	2.0
135.11720	8.8
136.05226	2.4
137.05995	8.9
139.03978	1.3
141.05481	4.7
142.03189	0.9
146.03654	2.4
147.04428	1.9
149.05974	3.6
151.03928	100.0
151.05022	6.7
151.07471	5.6
152.04311	1.3
153.01842	1.3
153.05498	2.9
153.06947	1.9
157.08423	1.7
159.04837	1.1
161.01184	1.2
161.05984	1.2
163.07541	1.4
163.24596	1.0
164.04675	1.8
165.05591	1.6
165.07008	2.1
167.07057	7.6
169.06433	1.2
175.11922	2.9
177.00732	1.4
177.03310	4.2
177.05495	2.9
179.07048	30.7
181.04964	1.9
183.08054	2.2
183.15015	1.9
192.04184	1.5
196.05318	1.4
202.08946	6.9
203.04897	1.0
203.07297	2.4
207.06552	77.2
208.06850	2.4
211.07521	3.5
215.10886	1.2
216.10286	1.3
220.09990	1.9
223.05811	1.1
237.02910	1.7
239.06871	1.3
243.10237	2.4
258.57858	1.0
271.09735	3.5
295.67242	0.9
299.09079	1.4
303.12341	9.5
327.07645	1.5
331.11786	8.4
349.09528	1.3
349.13626	4.8
358.08023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81499	2.0
53.03938	6.0
55.01873	7.5
55.05512	34.3
56.96563	3.5
57.03438	19.6
57.07082	2.9
59.05012	4.1
62.95129	1.7
65.03949	3.4
66.52831	1.8
67.05507	75.9
67.05870	3.6
69.03429	6.7
69.07069	32.9
69.46053	12.9
69.46476	5.8
71.04990	6.3
71.08636	6.3
79.05495	37.0
81.03429	5.2
81.07059	79.8
83.04988	13.3
83.08632	24.4
85.02914	3.1
85.06539	4.2
91.05482	34.9
93.07047	46.3
95.04997	13.9
95.08605	39.8
97.02904	3.4
97.06542	9.1
97.10181	12.0
99.08109	8.4
105.04508	2.3
105.07037	39.2
107.04984	9.0
107.08601	32.8
109.06506	19.3
109.10165	45.4
111.04443	2.6
111.08090	9.1
117.06992	12.3
119.08584	29.3
121.06504	13.2
121.10152	18.5
123.08091	7.0
123.11713	8.2
125.09660	13.3
127.03907	2.9
129.07042	5.1
131.08571	20.5
133.06551	2.3
133.10132	25.4
135.08051	7.6
135.11700	14.5
137.09631	4.3
137.13312	2.2
143.08519	4.2
145.06514	2.3
145.10139	18.5
147.08049	3.2
147.11703	17.9
149.09663	10.2
149.13245	15.6
151.11188	9.3
155.08522	3.5
155.10689	10.9
157.10205	3.8
159.11676	15.4
161.09590	4.9
161.13266	8.9
163.11168	10.6
163.14783	2.3
165.09195	4.4
165.12793	3.7
167.07069	3.7
171.10172	2.2
171.11678	3.9
173.10233	4.5
173.11757	82.9
173.13243	6.7
174.12163	2.3
175.11240	3.5
177.12811	6.2
179.14319	3.5
183.11726	2.7
187.11249	4.4
187.14853	3.0
189.11211	13.3
190.14409	3.6
191.14226	3.2
193.12335	2.5
195.13817	26.1
197.13315	2.9
199.14749	2.7
201.12825	3.1
207.13971	3.4
213.14864	18.0
213.16673	2.7
219.13846	3.7
229.19524	3.8
239.18011	2.6
247.20619	6.3
256.52408	2.2
257.18988	15.6
259.20618	2.9
267.16187	2.5
269.12405	3.1
274.92197	2.3
275.20078	100.0
277.21661	32.6
285.10196	3.3
293.20987	12.0
295.22668	17.9
331.18985	2.9
339.18005	2.4
348.18671	7.5
349.15454	2.7
349.19836	40.3
349.23795	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
54.32889	1.0
55.01866	1.6
55.05518	1.2
56.96560	3.2
57.03432	1.1
60.04486	1.1
60.05644	1.7
61.02895	1.2
61.85576	0.9
67.05501	1.5
69.03414	3.7
70.06590	7.1
71.04989	1.0
71.57960	1.7
72.08153	1.7
73.02909	1.6
78.04707	1.3
79.05492	2.1
81.03416	1.4
84.04501	2.3
84.08141	25.5
85.02909	8.5
86.09705	2.7
86.72039	0.9
91.05465	4.3
93.07037	2.9
94.61068	0.9
95.04985	6.2
97.02898	5.9
98.06042	1.4
98.97579	6.9
101.10747	1.9
103.05466	5.5
106.04141	1.6
107.04968	5.2
109.02889	1.7
110.97575	1.1
111.04404	1.6
113.06010	0.9
116.07072	1.3
116.98604	3.3
117.03403	1.2
119.01920	2.2
119.04918	1.2
121.06501	10.1
122.02731	1.7
122.06020	1.3
122.34023	1.0
122.91731	0.9
123.04428	12.3
124.05193	1.3
126.05530	1.5
127.03896	2.2
128.07115	1.2
128.98607	2.5
129.10242	11.5
130.08672	6.2
131.04941	6.2
132.04451	13.3
132.10229	1.4
134.03636	1.5
134.99677	2.3
135.04411	1.1
135.22623	1.0
136.06184	56.7
137.02341	10.2
137.03308	1.4
137.05937	9.2
140.04684	2.4
142.08661	1.7
143.01892	1.8
144.04047	1.8
144.06624	1.7
145.02838	1.5
145.04921	1.4
146.99657	2.1
147.04388	1.9
147.11285	2.3
148.03937	3.9
148.05212	2.8
149.05983	15.4
151.03920	2.4
152.04662	1.7
155.07027	2.1
158.99644	2.0
159.04419	5.0
161.02927	2.1
163.03917	1.2
163.07541	1.2
165.05449	1.4
166.05083	1.3
167.07042	100.0
168.06601	3.4
175.11935	8.9
177.00720	1.9
177.05486	33.0
181.08568	1.3
186.05075	1.6
186.07690	2.3
191.07085	1.7
194.05756	1.4
196.06024	6.4
200.13933	2.5
201.12317	4.1
209.08112	28.1
218.14998	19.3
218.16513	0.6
219.01741	3.2
227.09145	47.3
237.02876	4.5
247.03050	1.7
259.67844	1.0
303.07397	0.9
321.08682	2.6
330.20258	2.8
339.09689	2.2
348.06976	3.9
348.12772	1.4
348.17517	1.5
348.21259	8.3
349.13528	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1828
Annotation	Spenolimycin
Peak:m/z	Relative Intensity
53.07172	0.6
56.96560	1.0
60.21786	0.7
67.05493	1.5
69.07064	0.8
71.31647	1.2
73.02915	1.0
76.20683	0.8
79.05500	1.1
81.07050	1.9
84.19973	0.7
91.05494	1.4
95.08602	0.8
104.69876	0.7
105.07072	0.8
107.08562	1.0
116.61755	0.6
131.08548	0.7
137.05771	3.0
161.09540	0.7
175.32639	0.7
187.07335	1.7
192.18863	0.7
195.09923	13.3
195.73529	0.8
213.52689	0.7
216.97977	0.7
231.06786	0.8
233.11398	1.0
261.10757	0.7
329.17261	24.6
329.21219	1.3
347.07599	2.4
347.18320	100.0
348.18790	6.3
365.16385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76193	0.5
56.96559	0.6
64.94803	0.5
65.68382	0.4
67.05515	0.9
69.89405	2.2
69.89819	0.8
76.36782	0.6
79.05505	0.7
81.07066	1.3
91.05493	1.4
93.07026	0.9
95.05035	0.8
95.08609	0.8
95.98652	0.5
98.21478	1.0
102.54754	0.4
102.64983	0.4
105.07006	0.8
105.32674	0.5
107.08561	0.5
117.07002	0.5
119.08650	0.6
128.11240	0.5
133.10092	1.0
136.06216	0.5
182.80420	0.4
261.14639	13.4
262.14984	1.0
270.50107	0.5
277.39569	0.5
279.14368	0.9
297.15567	0.5
305.36771	0.5
347.18335	100.0
348.18735	7.0
365.16132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.134
Annotation	Koaburside
Peak:m/z	Relative Intensity
50.91856	1.2
55.63776	1.1
56.96558	1.3
60.04528	1.8
61.02934	1.5
61.31075	1.1
61.66098	1.1
61.76009	1.4
65.31120	1.2
69.03415	3.6
70.06580	2.9
70.32079	5.5
73.02930	1.9
74.00671	2.0
81.03426	2.1
81.07079	1.5
84.04515	6.6
85.02912	11.2
91.05466	5.0
95.01362	1.4
97.02876	3.8
97.06549	1.5
98.97625	1.6
109.02865	2.4
110.03671	6.9
111.04449	1.3
115.03294	8.8
119.04949	4.2
123.04478	1.9
124.07602	2.7
125.05156	2.2
125.06005	22.7
125.07897	1.7
127.03918	4.8
130.04980	2.6
131.08511	1.7
133.10083	1.2
137.02341	1.3
137.05983	6.0
139.03888	4.1
145.04898	2.8
151.03946	1.4
151.07542	27.8
153.05469	42.2
154.06250	15.8
155.03407	4.4
163.03920	1.6
169.04991	1.8
169.08588	5.2
170.05742	20.2
185.08098	100.0
186.08452	3.4
193.95567	1.4
218.06013	7.2
272.07230	1.6
347.12323	2.3
348.21503	1.4
369.51614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38436	3.8
51.28704	4.1
55.05516	10.2
56.96564	19.2
57.07079	8.9
62.00633	3.7
63.59319	3.6
67.05501	9.2
68.08013	3.9
70.06600	16.0
70.54602	8.7
79.05492	11.8
81.07051	11.3
88.07621	16.5
93.07051	6.3
95.08620	6.7
97.10188	5.4
105.07010	5.9
106.08675	4.4
107.08599	6.2
114.09138	6.1
119.08504	6.5
125.09597	5.1
128.98717	6.6
131.78288	4.0
132.10196	19.3
150.11272	12.8
151.11624	4.2
189.04488	6.8
189.11287	4.6
303.30887	5.5
329.14139	10.0
346.33145	36.7
347.07501	4.8
347.15338	34.6
347.18356	34.5
347.22437	9.6
347.26300	5.3
347.33514	100.0
365.16428	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	347.0759
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.57379	0.1
55.01857	0.1
60.61615	0.1
65.03928	0.1
66.01068	0.1
66.04714	0.1
68.80833	0.1
68.99767	0.5
69.03414	0.1
70.85623	0.2
78.04684	0.1
79.05460	0.2
81.03407	0.2
81.07039	0.2
85.02887	0.1
91.05462	0.1
92.02592	0.1
93.03410	0.2
93.07047	0.1
94.04173	0.1
95.04955	0.1
96.59342	0.1
105.03374	0.2
105.06949	0.1
106.04139	0.1
107.04922	0.2
109.02846	0.2
110.03618	0.1
111.00800	0.2
111.04417	0.2
115.05450	0.1
121.02875	0.8
121.06463	0.2
122.03635	0.1
123.04385	0.2
124.01626	0.1
125.02325	0.2
126.03107	0.3
133.02803	0.4
134.03587	0.1
135.04373	0.1
135.07869	0.1
137.02319	0.7
137.05977	0.8
139.03900	0.8
140.04745	0.4
146.20284	0.1
147.04347	0.2
149.02316	0.2
149.05959	0.1
150.03122	2.1
151.03909	0.6
152.01038	0.1
152.04614	0.1
153.01823	7.4
153.05412	0.8
153.06648	0.1
154.02121	0.2
154.06224	0.2
157.06497	0.1
158.08144	0.1
161.05965	0.2
163.03929	0.5
165.01836	1.1
165.05553	0.1
166.02563	0.2
167.02118	0.1
167.03418	1.2
167.07048	0.1
170.02095	0.2
171.04213	0.1
173.05876	0.1
175.03961	0.1
177.05511	0.5
178.02625	0.8
179.03317	0.4
180.04131	0.3
181.04938	0.4
181.06377	0.1
183.02878	0.3
184.05177	0.1
185.05951	0.1
187.03911	0.3
188.04660	0.2
191.03381	1.1
192.03969	0.1
193.01308	0.2
193.04984	0.2
194.02110	0.4
195.02904	0.2
199.03838	0.1
200.04683	0.1
201.05421	0.2
203.03401	0.4
203.07109	0.1
204.04086	0.1
205.04961	1.7
207.02847	0.4
207.06493	0.2
212.04657	0.3
213.05524	0.5
215.03465	0.7
216.04181	0.6
217.04980	0.4
218.02057	0.1
219.02888	0.4
221.06108	0.1
224.03268	0.2
227.03419	0.2
228.01825	0.1
228.04182	0.3
229.04991	1.8
230.05743	1.1
231.02864	0.2
231.06477	0.4
232.03601	0.4
233.04454	2.8
234.05202	0.2
240.04301	0.2
241.05045	0.4
241.23448	0.1
242.05711	0.1
243.02899	1.6
244.03664	1.2
245.04411	0.6
246.05110	0.2
247.02324	0.2
247.06056	0.1
255.02916	0.5
257.01801	0.1
257.04462	1.9
258.05246	5.1
259.05942	1.2
260.03174	0.2
261.03946	8.2
262.04376	0.3
268.03741	0.1
269.04434	1.0
271.02484	0.6
272.03122	0.6
273.03952	0.9
273.06879	0.2
274.04745	0.2
275.05542	0.4
283.02383	0.2
284.03076	0.2
285.03946	1.3
286.04700	3.7
287.02185	0.1
287.05493	2.9
288.05841	0.1
289.03418	7.1
290.03690	0.3
291.08594	0.3
296.03345	0.2
297.03854	0.2
297.07336	0.2
299.01968	0.4
299.08990	0.4
300.02649	0.8
301.03458	2.6
301.06714	0.2
301.14563	0.1
302.04184	0.6
303.04987	2.7
304.05737	2.2
313.03406	0.9
314.04260	0.7
315.01404	0.2
315.04959	2.5
316.02182	1.3
316.05655	0.2
317.02914	11.1
318.03333	0.7
329.10321	0.2
331.04498	7.6
332.05255	51.1
333.05615	2.3
347.07602	100.0
348.07980	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	347.076
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.10452	0.1
53.03947	0.0
55.01870	0.1
56.96562	0.1
65.03924	0.2
66.01077	0.1
66.04723	0.0
67.01860	0.1
67.05506	0.1
68.99775	0.4
69.03421	0.1
69.07086	0.0
70.06609	0.0
70.62323	0.1
70.62695	0.1
77.03960	0.1
78.01056	0.1
78.04700	0.1
79.05483	0.2
81.03411	0.2
81.07050	0.2
85.02926	0.1
91.05491	0.1
92.02621	0.2
93.03413	0.2
93.07044	0.1
94.04186	0.1
95.04963	0.2
95.08620	0.1
95.50623	0.0
97.02892	0.1
97.06490	0.1
105.03393	0.3
105.07031	0.1
106.04186	0.2
107.01352	0.1
107.04946	0.2
107.08592	0.1
109.02847	0.2
109.10136	0.1
110.03660	0.1
111.00811	0.3
111.04469	0.1
115.05483	0.1
117.07011	0.1
119.04935	0.1
120.02071	0.1
121.02866	0.9
121.06483	0.1
122.03658	0.1
123.04416	0.2
123.11703	0.1
124.01576	0.1
125.02334	0.2
126.03115	0.3
127.03970	0.1
131.04924	0.1
131.08621	0.1
132.02087	0.1
133.02858	0.3
133.06412	0.0
134.03590	0.2
135.04486	0.2
136.01582	0.1
137.02330	1.0
137.05980	1.0
138.03055	0.1
139.03899	1.3
140.04671	0.5
141.06995	0.1
143.04823	0.0
145.06506	0.1
147.04417	0.2
148.01500	0.1
149.02345	0.2
149.05983	0.1
150.03123	2.3
151.03905	0.6
151.07448	0.1
152.01060	0.1
152.04675	0.2
152.91518	0.1
153.01826	8.3
153.05440	1.2
154.02161	0.1
154.06268	0.2
157.04962	0.1
157.06488	0.1
161.02386	0.1
161.06035	0.2
162.03137	0.2
163.03900	0.4
165.01822	1.2
165.05458	0.1
166.02600	0.2
167.03398	1.2
167.07043	0.1
170.02144	0.2
171.04385	0.1
173.06000	0.1
175.03888	0.1
175.07542	0.1
176.04533	0.1
177.01904	0.1
177.05518	0.5
178.02612	1.0
178.09367	0.1
179.03380	0.4
180.04228	0.4
181.04948	0.5
181.06464	0.1
183.02917	0.4
183.04329	0.1
184.03680	0.1
184.05165	0.1
185.05952	0.2
187.03871	0.4
188.04625	0.1
189.05482	0.2
189.09016	0.1
191.03403	1.0
192.04030	0.1
193.01338	0.3
193.04930	0.2
194.02145	0.4
195.02815	0.2
195.04382	0.1
196.05049	0.1
199.03914	0.1
200.04675	0.2
201.05502	0.4
202.02579	0.1
202.06187	0.1
203.03305	0.4
203.07062	0.1
203.10748	0.1
204.04138	0.1
205.04961	1.8
206.02318	0.1
207.02895	0.3
207.06511	0.3
208.03654	0.1
209.00827	0.1
210.01694	0.1
211.07547	0.1
212.04637	0.2
213.05510	0.5
215.03409	0.7
216.04178	0.9
217.05000	0.4
219.02919	0.5
219.06517	0.1
220.03654	0.1
221.04549	0.1
223.02570	0.0
224.03162	0.1
227.03403	0.2
228.04185	0.4
229.04973	1.9
230.05710	1.1
231.02846	0.2
231.06471	0.4
232.03700	0.3
233.04465	3.0
234.05107	0.2
240.04189	0.2
241.04927	0.6
242.05884	0.1
243.02925	1.5
243.06468	0.1
244.03656	1.9
245.02029	0.1
245.04449	0.8
246.05203	0.1
247.02388	0.2
247.06137	0.1
248.06822	0.1
255.02982	0.5
256.03757	0.1
257.01733	0.1
257.04437	1.8
258.05240	5.6
259.02890	0.1
259.05997	1.5
260.03207	0.2
261.03943	8.5
262.04346	0.3
268.03696	0.2
269.04395	1.1
270.04816	0.1
271.02435	0.4
271.05219	0.0
271.06137	0.1
272.03119	0.8
273.03915	0.9
274.04681	0.3
275.05380	0.4
283.02429	0.2
284.03076	0.2
285.03952	1.5
286.04706	3.8
287.05484	3.5
288.02554	0.1
288.05988	0.2
289.03427	6.5
290.03662	0.2
291.08554	0.4
296.03159	0.1
297.03842	0.3
297.07578	0.2
299.02072	0.3
299.09024	0.4
300.02649	0.9
301.03455	2.5
301.06985	0.1
302.04236	0.4
303.04987	3.1
304.05731	1.9
313.03412	0.9
314.04242	0.9
315.04980	2.9
316.02151	1.2
316.05695	0.2
317.02917	10.9
318.03302	0.5
318.07346	0.2
329.06589	0.1
329.10178	0.2
331.04489	8.2
332.05252	47.7
333.02612	0.0
333.05600	1.9
347.07596	100.0
348.07968	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	347.0764
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01857	0.9
55.05508	2.0
56.96558	1.5
57.02611	0.9
59.98682	0.9
67.05490	2.3
69.07060	1.7
69.40758	5.7
69.41190	3.4
70.06571	0.9
76.52467	0.9
77.90477	1.0
79.05495	2.0
79.92638	1.0
81.07051	4.7
91.05489	2.6
93.07017	2.4
95.08599	2.5
97.02924	1.2
97.06548	1.2
97.10140	0.9
97.45709	0.9
98.21518	1.6
99.04478	1.1
105.07005	1.9
107.04939	4.3
107.08611	1.9
109.02872	1.4
109.10175	1.8
111.26792	0.9
119.08582	1.9
121.02859	2.7
121.06490	1.2
121.10144	2.3
123.04449	1.0
123.11654	1.0
125.05868	1.0
128.98505	0.9
131.08572	1.8
133.10117	1.1
135.11664	1.3
137.02382	1.2
137.05997	2.5
139.03911	1.1
145.10181	1.2
148.10870	1.1
149.09752	0.9
150.03087	1.5
153.01849	7.8
161.05966	1.0
163.03862	1.5
165.01851	1.0
167.07178	1.0
175.07666	1.1
178.02657	1.0
191.03471	1.5
193.04955	1.2
205.05006	3.0
215.03377	1.4
219.29953	1.0
229.04962	1.9
233.04514	2.1
256.66061	1.7
257.04395	2.0
258.05295	2.9
259.06039	1.7
261.03973	8.8
269.04269	1.1
273.18436	1.0
286.04794	2.7
287.05508	2.0
289.03470	6.4
300.02084	1.0
301.03455	2.4
303.04993	2.3
304.05783	2.9
314.04230	1.1
315.05011	2.9
317.02835	8.7
329.06479	1.3
329.10004	1.8
329.17307	1.5
331.04477	8.0
332.05276	46.3
333.05435	1.7
347.07629	100.0
347.18500	3.1
347.22473	2.8
348.07907	2.8
369.87677	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0764
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.05492	0.5
55.23267	0.3
57.03411	0.3
62.20026	0.3
65.03930	0.5
67.05511	0.4
68.99793	0.8
69.03446	0.3
69.07056	0.4
70.06570	0.6
71.04974	0.5
71.57603	0.4
72.08157	0.5
74.05573	0.3
74.60397	0.3
79.05492	0.8
81.03413	0.7
81.07054	0.6
85.02919	0.7
87.88130	0.3
91.05476	1.1
93.07055	0.6
95.04977	0.7
95.08608	0.7
97.02911	0.4
97.28709	0.3
98.97632	0.3
105.03424	0.6
105.07000	0.5
107.04959	0.7
109.02894	0.7
111.00790	0.6
111.04420	0.5
119.08576	0.5
121.02853	1.9
121.06479	0.3
121.10167	0.4
121.79351	0.3
123.04460	0.6
123.08089	0.3
124.05157	0.3
131.04953	0.3
131.08592	0.4
133.02831	0.6
134.03641	0.4
135.04407	0.4
137.02327	2.0
137.05962	1.2
139.03886	5.4
145.06476	0.4
147.04417	1.1
149.02321	0.4
149.05968	0.5
150.03128	0.8
150.06721	0.4
151.03888	1.0
151.07503	0.3
153.01825	10.4
153.05458	6.5
154.02118	0.4
154.06242	1.2
157.06456	0.4
161.06021	0.4
163.03897	0.7
165.01846	3.5
167.07004	0.6
173.09773	0.3
175.03918	0.4
178.02640	0.7
181.05002	2.5
181.06416	0.5
183.02913	0.9
185.06042	0.5
193.04918	0.4
194.02199	0.4
201.05495	0.9
203.03476	0.4
203.07074	0.3
205.04956	0.4
207.02791	0.4
207.06483	1.4
209.05934	0.3
213.05525	1.5
216.04137	1.3
217.04892	0.5
219.02974	0.5
227.03326	0.3
228.04205	0.4
229.04965	3.5
230.05731	1.7
231.06514	1.1
233.04402	0.4
241.04976	1.4
243.02892	1.5
244.03627	2.1
245.04501	0.6
247.02322	0.4
255.02893	1.0
256.03442	0.4
257.04471	2.4
258.05258	7.7
259.06021	3.4
261.03931	1.1
269.04483	2.6
270.08063	0.3
271.06027	0.4
272.03229	0.7
273.03891	0.4
274.04706	0.5
275.05569	0.4
283.02432	0.8
284.03207	0.9
285.03967	3.3
286.04691	7.4
287.05496	12.0
288.06018	0.4
289.03378	1.9
291.08554	1.9
296.03149	0.4
297.04016	0.4
299.09088	1.2
301.03583	0.8
302.04196	0.7
303.05011	4.7
304.05682	0.4
313.03436	1.2
314.04300	1.5
315.04977	4.2
316.05716	0.5
317.03000	0.9
318.07263	0.8
329.10089	0.7
331.04465	8.1
332.05219	4.2
347.07614	100.0
348.07968	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	347.076
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
65.03940	0.6
67.01865	0.2
68.99779	1.0
69.03421	0.2
70.07383	0.2
70.07722	0.8
79.05492	0.3
92.02644	0.2
93.03375	0.2
95.04939	0.2
105.03384	0.5
106.04173	0.2
107.04942	0.6
109.02859	0.4
111.00803	0.7
111.04422	0.4
120.02105	0.2
121.02872	1.8
125.05935	0.2
126.03101	0.2
133.02866	0.4
135.04480	0.3
137.02347	2.1
138.03094	0.4
139.03912	5.3
147.04376	0.3
149.02373	0.2
150.03111	1.3
151.03908	0.5
153.01830	12.3
153.05452	6.0
154.02144	0.4
154.06264	1.3
157.06502	0.4
159.04440	0.2
160.05223	0.2
161.05984	0.3
162.03056	0.1
163.03891	0.5
165.01842	3.9
166.02553	0.6
167.03421	0.3
167.07072	0.4
170.02109	0.3
171.02959	0.2
171.04388	0.4
175.03905	0.2
177.01845	0.2
178.02602	0.5
179.03415	0.3
180.04155	0.2
181.04973	2.3
183.02876	1.3
183.04314	0.2
184.03685	0.2
185.05894	0.3
187.03946	0.4
188.04659	0.2
189.05327	0.3
191.03371	0.2
192.04123	0.2
193.04950	0.2
194.02147	0.5
195.02959	0.2
199.03998	0.3
200.04697	0.2
201.05467	0.7
202.06049	0.2
203.03412	0.7
205.04933	0.3
207.06546	1.2
212.04680	0.3
213.05476	1.6
215.03450	0.2
216.04176	1.3
217.04932	0.6
219.02861	0.5
227.03516	0.3
228.04102	0.5
229.04977	3.5
230.05737	1.9
231.06543	1.3
232.03629	0.4
233.04480	0.6
241.04881	1.1
242.05713	0.2
243.02919	1.2
244.03676	2.6
245.04507	0.7
247.02347	0.2
247.05858	0.2
255.02863	1.1
256.03629	0.4
257.04446	2.6
258.05234	9.8
259.05963	3.0
260.03305	0.2
260.06494	0.2
261.03940	1.2
269.04419	2.5
272.03033	0.9
273.03876	0.6
274.04697	0.3
275.05457	0.2
283.02414	0.7
284.03281	0.8
285.03922	2.6
286.04715	7.3
287.05490	11.9
288.05969	0.6
289.03394	2.0
291.08603	1.7
297.03867	0.5
300.02695	0.7
301.03427	1.0
302.04224	0.7
303.05002	6.0
304.05655	0.7
313.03448	1.6
314.04175	2.1
315.04968	4.1
316.05673	0.6
317.02942	1.6
318.03802	0.2
318.07300	0.6
331.04501	8.8
332.05246	5.6
347.07605	100.0
348.07944	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63347	2.8
55.05510	21.1
59.05020	3.1
67.05509	59.2
67.96288	2.7
69.07067	17.3
70.50623	9.5
73.63934	2.8
74.89741	2.9
77.51576	2.8
79.05488	22.0
81.07059	37.5
83.04945	4.1
83.08615	14.5
88.97011	2.5
91.05495	9.6
93.07027	15.1
95.04977	3.7
95.08621	13.9
97.06532	6.8
97.10175	10.1
104.27873	2.6
105.07024	14.1
107.08598	23.8
109.10164	45.2
111.08136	2.7
117.06992	4.6
119.08591	12.3
121.10139	9.4
125.09641	11.0
131.08594	6.7
133.10138	9.5
135.08090	3.5
137.09634	5.7
147.11723	5.7
149.09615	3.7
149.13260	5.0
155.10693	12.7
159.11745	3.6
161.13281	3.4
171.11670	3.3
173.10229	4.8
173.11760	100.0
189.11220	18.4
195.13823	11.0
206.17795	3.1
213.14899	8.9
245.99442	2.8
257.19113	7.0
260.06500	5.2
275.20105	42.5
288.05768	8.9
293.21152	8.5
302.07391	5.0
315.04678	3.9
316.05457	6.7
330.06833	16.1
331.07700	48.1
333.56107	3.2
346.10037	81.0
346.14014	6.0
347.10327	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	347.076
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.36565	0.1
55.01866	0.1
61.78872	0.1
63.74537	0.1
65.03939	0.3
66.01057	0.1
66.04697	0.1
67.01862	0.3
67.05489	0.1
68.99786	1.1
69.03423	0.1
70.04922	0.2
70.05340	0.2
71.01357	0.1
78.04730	0.1
79.05486	0.3
81.03403	0.2
82.04206	0.1
91.05477	0.1
92.02619	0.2
93.03391	0.3
95.04959	0.3
97.02879	0.1
98.20793	0.1
105.03391	0.7
105.04508	0.1
105.21581	0.1
106.04163	0.3
107.04941	0.7
108.02087	0.1
109.02855	0.5
110.03677	0.2
111.00793	0.9
111.04467	0.5
115.05441	0.1
117.07011	0.1
120.02118	0.1
121.02867	1.8
122.03648	0.1
123.04446	0.2
124.01516	0.1
125.05984	0.3
126.03138	0.3
127.03925	0.2
129.07019	0.1
131.04918	0.1
133.02876	0.4
134.03632	0.2
135.04384	0.4
137.02333	2.4
137.05962	0.1
138.03099	0.2
139.03897	6.1
140.76427	0.1
141.06996	0.1
145.02878	0.1
145.06493	0.3
147.03304	0.1
147.04395	0.5
149.02338	0.3
150.03116	1.1
151.03947	0.5
152.00993	0.1
152.04651	0.2
153.01825	13.0
153.05449	7.2
154.02173	0.3
154.06244	1.2
155.04883	0.1
157.06505	0.4
160.05171	0.2
161.02284	0.1
161.05934	0.3
162.03123	0.2
163.03899	0.6
165.01823	4.6
165.05537	0.2
166.02611	0.6
167.03375	0.1
167.07018	0.3
169.06471	0.1
170.02074	0.2
171.04373	0.2
173.05956	0.3
175.03893	0.2
175.07524	0.1
177.01817	0.1
177.05515	0.1
178.02626	0.8
179.03378	0.3
180.04160	0.1
181.01360	0.1
181.04956	2.6
182.05396	0.1
183.02905	1.5
183.04453	0.1
184.03654	0.1
184.05177	0.1
185.05931	0.5
187.03911	0.3
188.04620	0.2
189.05537	0.1
192.04137	0.2
193.01285	0.2
193.04900	0.2
194.02126	0.6
195.02779	0.1
197.06039	0.1
200.04669	0.3
201.05476	0.9
202.06184	0.3
203.03400	0.5
203.07010	0.3
204.04155	0.1
205.05070	0.4
207.02951	0.5
207.06511	1.3
209.00793	0.2
211.03928	0.1
212.04640	0.3
213.05475	1.4
215.03343	0.3
216.04169	1.5
217.04976	0.5
218.05818	0.1
219.02866	0.5
219.06471	0.1
220.03662	0.2
221.04492	0.2
224.03000	0.1
227.03282	0.4
228.04179	0.4
229.04968	3.6
230.05690	2.0
231.02815	0.2
231.06528	1.4
232.03706	0.4
233.04515	0.7
239.03432	0.1
240.04163	0.2
241.04924	1.4
242.05635	0.2
243.02873	1.7
243.05563	0.1
243.06511	0.2
244.03653	2.8
245.04433	0.8
246.05194	0.3
247.02371	0.3
247.06053	0.2
255.02913	1.1
256.03629	0.3
257.04446	2.6
258.05237	9.7
259.05972	4.2
260.03210	0.2
260.06393	0.2
261.03888	1.1
263.05383	0.2
268.03720	0.2
269.04425	2.6
270.04846	0.2
271.02512	0.1
271.06018	0.3
272.03140	1.0
273.03900	0.5
273.07327	0.1
274.04590	0.2
275.05396	0.2
283.02448	0.9
284.03128	1.0
285.03925	3.2
286.04706	8.6
287.05484	14.3
288.05829	0.7
289.03391	1.6
291.05231	0.1
291.08591	2.3
296.03110	0.2
297.03946	0.5
299.01807	0.1
300.02673	0.7
301.03412	0.7
302.04163	0.7
303.04984	5.2
304.05460	0.5
313.03400	1.6
314.04181	2.1
315.04956	4.3
316.05579	0.7
317.02832	0.9
318.03537	0.3
318.07352	0.9
319.07809	0.2
329.02740	0.1
331.04474	8.9
332.05215	3.7
333.05615	0.2
347.07587	100.0
348.07947	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	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01871	3.9
55.05512	2.3
56.96553	4.3
57.03436	5.1
61.02925	8.5
67.05492	3.2
69.03078	2.7
69.03432	41.0
69.07065	5.1
70.06598	12.3
70.92657	4.8
70.93005	1.7
71.04998	4.1
72.37132	1.6
73.02915	6.9
76.02226	3.7
79.05479	2.0
81.03413	10.3
81.07065	4.9
83.04978	2.4
84.04500	3.4
84.95941	1.7
85.02906	100.0
85.06566	2.0
86.09711	23.4
87.04462	3.4
88.03965	2.1
91.03968	6.1
91.05481	3.1
93.07049	4.7
95.04963	3.8
95.08603	7.8
97.02897	31.3
98.97561	3.5
99.04452	4.4
105.07033	5.3
107.04958	66.4
109.02888	9.6
109.10155	3.6
116.07066	11.7
116.98622	3.0
119.08579	7.6
121.06523	4.0
121.10149	16.4
122.02739	19.1
123.04426	4.3
123.08067	10.5
124.07633	2.4
125.09592	2.0
127.03915	23.7
128.07019	2.0
131.04944	4.0
132.04468	6.1
133.10086	2.2
135.08084	2.7
137.05975	3.7
137.09596	4.7
138.09125	4.9
145.03903	2.9
145.04967	40.2
147.04405	2.3
147.08089	2.0
147.11646	2.7
149.05969	29.5
149.09595	1.8
151.07562	4.8
151.11194	4.4
161.09485	1.9
161.13245	3.9
162.05818	5.0
163.04022	2.1
163.06018	3.4
163.11194	5.8
165.06978	1.8
165.12798	5.1
166.08635	5.9
167.07045	18.8
167.08487	3.8
171.08040	2.4
173.06027	5.3
177.00769	3.2
177.07092	1.8
179.07034	3.0
180.08675	18.5
181.06425	2.4
184.00664	1.9
184.09702	7.4
189.12773	9.2
191.08557	2.7
195.08035	8.5
197.09970	3.0
199.07617	2.4
199.18062	3.1
207.13794	18.1
215.07024	8.3
219.01782	2.7
219.08122	11.9
225.14810	15.0
227.06982	2.7
233.08101	6.0
237.09064	6.7
254.11916	4.4
255.02773	2.6
257.08047	4.9
257.12204	1.8
265.08560	2.3
275.09250	2.8
283.09540	10.3
285.70068	2.1
287.05630	3.3
287.09167	4.6
300.12347	26.8
315.04440	2.4
328.15747	2.4
329.10355	4.7
346.12668	2.8
346.15793	3.7
347.12817	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.96566	1.0
67.05505	1.3
69.03435	6.4
69.07063	1.9
69.95112	3.8
70.06592	5.2
74.52319	0.7
76.02222	1.2
85.02911	1.9
86.09709	6.6
88.03995	2.2
91.05469	1.3
93.07055	1.0
94.06541	1.0
95.04975	1.5
95.08595	2.2
97.02880	0.8
98.21409	0.9
98.97620	1.4
103.05513	1.1
105.07033	1.7
107.04970	1.3
107.08576	0.9
109.02875	1.6
109.10178	0.9
110.06047	1.1
112.03907	0.7
116.07109	6.4
116.98619	0.9
119.08582	1.6
120.08115	0.8
120.78547	0.7
121.06490	1.0
121.10170	7.6
122.02727	5.2
122.06028	1.7
123.04436	2.1
123.06841	0.9
123.08091	2.1
124.07725	0.7
129.06947	0.7
132.04440	2.0
137.05986	1.6
138.05513	2.7
138.09158	1.3
139.03871	0.8
149.05977	3.0
149.09647	1.1
150.05504	6.4
151.03856	0.9
151.06480	1.1
151.07542	4.5
151.11191	0.9
152.06151	1.0
153.05621	1.0
153.06993	5.7
161.13313	0.8
163.11203	3.3
164.92409	0.7
165.07010	4.5
165.12756	0.9
166.07713	1.8
166.08856	1.4
167.07178	0.7
167.08560	15.2
168.06587	1.4
168.08800	0.8
171.08041	7.7
177.07008	10.9
178.07790	6.4
179.07047	1.5
179.08577	6.5
181.06514	4.9
181.10126	2.2
182.07109	1.0
183.08070	4.3
183.09691	0.6
184.09822	1.2
185.08000	1.2
189.12825	1.3
190.07808	1.7
191.06906	1.5
191.08546	15.9
193.06499	1.0
193.08781	1.7
193.10207	2.0
194.07295	5.5
194.09048	0.8
194.09584	0.8
195.03090	0.7
195.08069	27.2
196.08603	1.5
197.05962	0.8
197.09683	2.6
199.07544	5.8
201.07065	0.8
202.07759	3.5
203.08591	1.8
205.06487	2.8
206.09711	1.0
207.08057	7.8
207.13762	4.4
208.08870	6.7
209.09615	7.9
211.07497	2.3
212.10631	1.1
218.07315	2.4
218.09663	1.1
219.08054	37.8
220.08467	1.7
221.09718	3.7
222.09232	1.3
223.07553	9.0
224.10715	2.6
225.14896	2.0
227.07021	7.8
229.07648	1.3
236.08667	0.8
236.10628	4.0
237.09106	38.1
238.09538	2.6
238.12309	5.6
239.10843	1.1
240.10164	3.6
241.08582	7.6
247.07526	2.4
248.03230	4.2
248.12898	1.0
251.07024	1.6
254.11778	19.5
255.02982	1.8
255.10005	1.1
258.09122	0.8
259.09702	0.7
265.08612	7.9
269.08115	5.9
272.10077	1.1
273.11108	0.8
282.11310	2.4
283.09674	37.0
284.09918	2.0
287.05643	2.6
287.09109	18.3
288.09586	1.0
300.12308	100.0
301.12674	5.2
311.09201	4.8
324.12213	0.9
328.09286	1.3
329.10284	14.1
341.11465	0.9
346.12994	31.8
347.13043	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40193	1.1
52.69321	1.3
55.01860	1.8
55.05501	6.5
56.96563	3.4
57.03437	1.5
57.07074	2.3
67.05508	8.8
69.03431	2.9
69.07064	15.0
70.06580	1.3
70.76557	3.7
71.04981	2.2
71.08634	2.6
79.05489	4.6
81.03419	3.8
81.07053	23.6
83.04951	1.9
83.08611	5.6
85.02898	3.5
85.06540	3.9
91.05489	6.5
92.05783	1.3
93.05943	1.1
93.07046	8.5
95.04944	2.5
95.08601	16.5
97.02892	1.3
97.06514	2.7
97.10146	1.9
99.08082	2.2
103.05466	6.3
105.07028	5.6
107.08608	6.7
109.02879	3.6
109.06506	1.3
109.10162	11.6
111.08064	3.4
111.11742	2.9
115.05427	2.7
117.07014	2.1
119.04936	1.8
119.08584	4.2
121.02879	1.5
121.06463	2.8
121.10144	5.3
122.03646	3.9
123.08077	1.4
123.11705	8.2
124.05206	1.8
125.02332	1.4
125.09598	1.6
127.03924	1.5
131.04922	10.2
131.08530	1.2
133.06444	1.7
133.10110	1.4
134.99597	1.4
135.08026	1.6
135.11723	3.6
137.05971	42.8
137.09625	2.1
137.13248	5.6
138.06294	3.1
139.03854	1.2
139.11154	1.8
143.04855	1.2
145.06471	1.6
145.10197	1.7
147.04419	1.8
147.11610	2.3
149.13237	4.5
151.03918	4.8
151.07552	8.7
151.14830	1.2
153.01842	1.7
153.05484	2.5
153.12762	2.5
159.08000	1.4
161.05972	14.7
162.92998	1.2
163.03860	2.3
163.07559	19.6
164.07904	1.9
165.12831	2.6
166.12209	2.0
167.07053	3.0
167.14342	1.6
175.07529	4.0
177.05486	2.0
177.09099	47.4
178.09421	2.6
181.06429	1.6
183.06473	1.7
184.13237	1.5
185.13420	1.5
189.09100	1.6
191.07060	2.6
193.05048	1.5
195.10156	4.1
203.07028	2.4
211.07425	2.4
215.21638	1.4
221.05956	3.2
221.11761	4.3
224.08418	1.6
225.09099	3.2
227.06825	1.7
229.04930	1.8
231.06520	5.5
238.06227	2.4
239.06886	2.6
243.06451	2.3
252.07915	1.8
253.08611	5.0
254.09172	1.8
255.06339	2.7
259.05994	8.3
267.06650	1.2
267.10077	2.3
270.08908	2.1
271.06186	1.4
283.06046	2.0
285.03906	1.6
285.11121	8.3
287.05466	14.3
291.26736	3.5
295.09662	2.3
299.09082	4.2
299.12457	1.8
300.02698	1.5
300.06049	1.4
301.07037	5.2
302.04318	2.0
302.07825	2.1
309.27750	1.8
313.03357	3.4
313.10709	14.7
314.04135	2.7
314.11127	1.9
315.04987	12.5
316.05652	1.6
317.06601	5.1
327.12183	8.4
328.12787	1.8
329.06549	18.3
330.07327	68.0
331.07651	6.6
340.10733	2.1
345.05972	12.3
345.09677	100.0
345.13379	14.5
346.06323	8.2
346.10449	9.2
346.13754	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02743	6.1
55.01875	12.5
55.05516	46.6
56.96550	9.6
57.03422	6.3
57.07080	13.5
64.84921	6.6
65.44575	6.8
67.05506	34.6
69.07068	29.7
70.73116	21.7
71.04996	8.6
71.08630	9.9
79.05493	30.6
81.03426	12.0
81.07059	47.4
81.43163	6.5
83.04978	31.7
83.08607	12.8
84.05771	7.2
91.05488	16.5
93.07042	26.7
95.04982	21.4
95.08600	20.9
97.06541	13.6
97.10167	27.1
99.08102	21.5
105.07021	15.5
107.08603	26.8
109.06535	9.5
109.10168	13.3
111.08098	16.3
119.08558	12.8
121.10152	13.1
125.09648	32.6
131.04872	7.0
131.08580	8.2
133.10147	8.6
135.08025	7.7
135.11673	13.2
137.06001	9.6
137.09723	6.7
139.11166	25.3
145.10094	11.3
157.12245	7.3
162.18533	7.2
163.11244	10.8
167.10744	6.9
177.12770	24.8
189.11325	8.3
191.07127	7.9
195.13774	13.4
223.13327	10.1
239.12788	13.9
241.23653	10.4
242.23840	17.6
256.07242	8.3
259.06244	8.6
264.20828	7.8
285.10388	11.3
287.05542	9.7
293.21066	33.5
313.10809	13.9
315.05078	10.3
329.06589	31.6
330.03845	10.1
330.07162	36.5
345.06000	21.3
345.09698	100.0
345.13492	21.7
345.31961	13.3
346.09851	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	345.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25432	0.4
53.03928	0.4
53.22551	0.4
54.23445	0.4
55.01863	1.1
55.05500	1.2
57.03427	0.8
57.07063	0.9
59.04993	0.4
61.02924	0.9
67.05486	1.6
69.03428	6.8
69.06733	0.6
69.07073	10.3
70.06593	0.6
70.25446	1.2
71.04984	0.8
71.08638	0.5
73.02906	0.5
73.18782	0.3
79.05482	1.7
81.03427	1.6
81.07056	17.3
83.01350	0.5
83.04984	3.5
83.08588	0.8
84.04487	0.5
85.02902	7.9
85.06535	3.8
86.09710	0.5
91.05471	0.9
93.07025	1.1
94.06548	1.0
95.04955	1.1
95.08605	3.6
96.36385	0.4
97.02879	1.3
97.06524	2.0
98.21442	0.4
99.04469	2.8
99.07478	0.7
99.08096	11.0
105.07026	1.4
107.08596	3.5
109.02886	0.5
109.06508	4.6
109.10149	2.2
111.08052	0.8
113.05976	1.4
116.05053	0.4
119.08594	1.3
121.10149	9.7
122.06029	1.7
123.08077	3.0
123.11722	4.0
125.09635	7.8
127.03912	1.6
127.07561	2.6
131.04945	0.6
137.05971	1.9
137.09578	1.8
137.13243	1.7
139.11201	7.3
140.07065	1.7
144.04454	0.5
145.04939	1.4
146.05966	0.6
147.11684	1.6
151.07542	0.6
153.12747	0.6
165.12747	5.0
167.03429	0.5
167.07108	0.7
172.03978	3.1
175.07501	0.6
177.09128	0.6
183.13811	100.0
184.14180	1.6
204.06560	5.1
206.08208	0.8
219.10123	0.4
245.08026	0.8
251.05484	0.8
263.09134	0.7
285.11075	0.5
299.09488	0.4
327.12473	0.6
345.06030	0.9
345.09769	0.7
345.14841	1.1
345.18909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
62.09032	0.7
67.05503	1.1
69.03429	0.7
69.07040	0.6
71.04973	1.2
71.59716	0.7
71.60107	1.2
73.02903	0.7
77.68264	0.7
79.05487	2.4
81.03416	1.1
81.07040	2.1
85.02917	0.9
91.05470	4.0
93.07077	1.0
94.04180	3.3
95.04974	1.5
103.05482	9.4
105.07018	4.8
107.04959	2.8
107.08618	0.9
109.02877	0.8
109.10205	1.5
115.05429	1.5
117.06991	2.0
119.04925	0.7
119.08562	1.0
121.06481	3.4
122.03648	9.0
123.11671	0.8
128.06265	1.0
129.06984	1.0
131.04922	12.4
133.06497	17.4
135.08049	6.4
137.05981	100.0
138.06313	1.5
145.06487	2.7
145.58537	0.7
147.07994	1.6
149.06010	1.3
151.07550	7.1
153.05467	1.2
157.06505	1.0
161.06047	1.4
163.07545	34.6
165.06964	1.1
165.09148	0.7
167.06970	0.8
171.08022	1.3
175.07559	3.0
177.05563	0.8
177.09122	6.7
181.06491	0.8
183.06563	1.0
189.09113	2.2
191.07027	1.7
203.10684	1.4
207.08031	0.9
225.08974	1.1
228.03891	0.7
229.05188	0.8
250.84360	0.8
253.08691	1.0
285.11227	1.5
295.13028	1.4
299.09302	1.5
313.10724	2.6
317.06525	3.7
327.12253	2.8
327.16043	2.1
330.03470	0.8
345.05945	2.4
345.09674	1.3
345.13062	4.3
346.17792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01878	1.7
56.05031	1.4
57.03446	1.1
63.02726	1.0
65.03951	0.8
67.05513	3.5
69.03447	2.7
69.07076	1.7
70.06598	4.0
70.20032	4.0
71.04982	0.9
72.08165	1.7
73.02923	1.1
79.05497	3.8
81.03436	2.3
81.07072	3.4
83.04965	1.1
84.04519	1.5
84.08154	0.9
85.02907	3.1
86.09709	5.6
87.10027	1.0
91.05476	4.7
91.06004	0.8
93.07050	2.7
94.04211	3.0
95.04989	1.6
95.06071	0.9
95.08623	1.9
98.97598	1.3
99.04460	0.9
102.05555	1.4
103.05477	8.6
105.07047	5.5
107.04982	3.4
107.08573	0.8
109.02892	5.6
109.06548	2.5
109.10196	3.6
113.02369	2.0
115.05464	1.4
116.07104	2.0
117.07011	2.2
119.04966	2.2
119.08595	1.2
121.06535	3.5
121.10170	1.2
122.03671	11.0
123.04453	2.0
123.08138	0.9
124.07643	1.3
127.03957	1.5
128.06299	0.8
129.07005	1.5
131.04939	13.4
133.06511	15.8
135.08063	6.1
137.05984	100.0
138.06395	1.7
138.12807	1.4
139.03928	2.1
140.07098	1.7
141.01787	0.8
143.04851	0.8
145.06496	3.8
147.04469	1.2
147.08049	2.0
147.63379	0.8
149.06033	2.1
151.03888	1.9
151.07581	5.7
153.05438	1.0
157.05083	1.0
157.06502	1.7
161.06032	1.5
163.07542	34.3
165.05469	1.0
165.06944	0.8
165.09160	2.7
165.12718	1.0
166.12302	3.8
167.07080	3.5
171.08018	1.1
173.06175	1.0
174.06792	2.0
175.07578	3.5
176.07980	1.0
177.09122	3.5
179.08603	0.8
183.08118	0.9
183.10219	3.6
184.13344	4.5
186.16808	1.0
187.07602	3.5
187.42720	0.9
189.09132	4.1
191.07089	2.4
201.09196	2.2
203.10643	1.2
210.06627	1.2
210.14952	2.8
211.07542	0.9
217.08632	1.1
219.10222	1.9
225.09123	1.3
235.11232	1.0
238.14427	8.4
243.10211	2.3
253.08733	1.4
256.15448	35.9
263.10638	1.7
267.10226	1.0
285.11288	3.4
287.05627	1.8
295.09821	1.6
295.13394	3.1
297.07095	0.9
299.12610	0.9
313.03192	1.0
313.10757	2.2
315.12222	1.0
327.12393	3.9
327.15958	1.4
345.06104	2.8
345.13376	4.2
345.18399	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42992	1.1
65.15540	1.0
66.47299	1.2
67.05513	1.5
69.03414	1.4
70.06591	1.5
70.93520	2.4
71.04985	1.8
77.82393	0.9
79.05491	3.7
81.07059	2.9
83.04992	1.0
83.63245	1.0
85.02900	2.9
85.48102	1.0
91.05485	3.8
93.07041	1.5
94.04201	4.0
95.04981	1.8
95.08639	1.3
103.05459	9.7
105.07037	5.8
107.04961	2.0
109.02874	1.8
109.06516	3.1
115.05451	1.3
117.07015	1.7
119.04935	1.0
121.06502	3.4
122.03662	9.1
123.08092	1.3
128.06219	1.5
129.07016	1.1
131.04930	8.6
133.06494	18.6
135.08073	6.8
137.05983	100.0
138.06415	1.5
145.06496	3.5
151.07576	6.7
157.06435	1.5
161.05864	1.6
162.24405	1.1
163.07552	35.0
165.06915	1.0
165.09186	1.2
167.07042	1.8
171.08041	1.1
175.07526	3.6
177.09113	6.7
183.06570	2.5
189.09196	2.1
191.07040	2.0
207.07988	1.3
219.08003	1.7
232.83109	1.0
239.06885	1.0
263.10681	1.7
278.22287	1.0
285.11337	1.7
295.13370	3.2
313.10736	4.1
327.12308	2.3
327.15845	1.8
329.82581	1.3
345.06192	2.3
345.09671	1.5
345.13416	4.0
345.18750	1.0
353.27585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42992	1.1
65.15540	1.0
66.47299	1.2
67.05513	1.5
69.03414	1.4
70.06591	1.5
70.93520	2.4
71.04985	1.8
77.82393	0.9
79.05491	3.7
81.07059	2.9
83.04992	1.0
83.63245	1.0
85.02900	2.9
85.48102	1.0
91.05485	3.8
93.07041	1.5
94.04201	4.0
95.04981	1.8
95.08639	1.3
103.05459	9.7
105.07037	5.8
107.04961	2.0
109.02874	1.8
109.06516	3.1
115.05451	1.3
117.07015	1.7
119.04935	1.0
121.06502	3.4
122.03662	9.1
123.08092	1.3
128.06219	1.5
129.07016	1.1
131.04930	8.6
133.06494	18.6
135.08073	6.8
137.05983	100.0
138.06415	1.5
145.06496	3.5
151.07576	6.7
157.06435	1.5
161.05864	1.6
162.24405	1.1
163.07552	35.0
165.06915	1.0
165.09186	1.2
167.07042	1.8
171.08041	1.1
175.07526	3.6
177.09113	6.7
183.06570	2.5
189.09196	2.1
191.07040	2.0
207.07988	1.3
219.08003	1.7
232.83109	1.0
239.06885	1.0
263.10681	1.7
278.22287	1.0
285.11337	1.7
295.13370	3.2
313.10736	4.1
327.12308	2.3
327.15845	1.8
329.82581	1.3
345.06192	2.3
345.09671	1.5
345.13416	4.0
345.18750	1.0
353.27585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01866	2.1
55.05513	7.1
56.96533	1.2
57.03436	2.3
57.07071	3.2
65.03956	1.4
66.41197	1.2
67.05505	15.7
69.03412	2.5
69.07067	15.9
70.06585	4.7
71.04985	1.6
71.59608	1.4
72.08152	1.3
73.03476	1.2
78.04696	1.3
79.05479	7.6
81.03420	2.8
81.07057	45.8
83.08606	7.6
85.02908	3.1
85.06536	3.8
91.05483	5.8
93.07037	9.8
94.04192	2.2
95.04976	4.7
95.08606	39.2
97.06541	3.4
97.10165	3.5
99.08092	2.5
100.11229	1.3
103.05484	8.9
105.07043	7.9
107.04963	3.5
107.08591	12.1
109.02898	3.8
109.06542	2.4
109.10154	20.1
111.04432	2.7
111.08081	4.6
111.11713	4.6
115.05424	2.5
117.07034	2.8
119.04923	1.9
119.08600	4.0
121.02859	2.3
121.06534	3.5
121.10126	7.0
122.03650	7.4
123.04445	3.6
123.11703	15.9
125.09590	1.9
127.03960	1.4
129.07021	1.9
131.04930	12.6
133.06493	15.2
133.10068	1.8
135.04402	1.1
135.08051	7.3
135.11682	5.9
137.05974	100.0
137.09602	4.3
137.13254	7.4
138.06667	5.3
138.74945	1.1
139.03915	2.3
139.07089	3.9
143.08559	1.5
145.06487	4.0
147.04402	2.3
147.08115	1.5
147.11760	2.0
149.05986	2.2
149.13248	7.3
151.03871	2.2
151.07480	5.9
151.14850	3.0
153.01807	2.0
153.12827	1.6
155.14436	1.6
157.06514	2.8
161.05959	7.6
163.07536	31.3
163.14830	5.4
165.07022	2.1
165.09126	3.6
167.07112	2.7
167.14223	1.3
172.11159	1.4
173.06018	3.2
175.07588	3.5
177.05409	2.7
177.09100	2.5
177.16316	2.7
179.07043	1.6
179.08507	1.4
182.07237	1.1
183.16997	1.1
185.09897	1.1
189.09074	4.4
190.09521	1.3
191.07016	5.6
191.17961	1.5
193.06548	2.3
195.06491	1.6
195.08055	1.3
201.05313	1.2
203.07027	2.5
203.10739	1.2
209.05925	1.2
210.06764	3.0
211.07355	1.5
217.19521	1.2
221.05984	2.6
224.08183	1.4
225.09128	6.2
227.06859	1.3
237.05489	1.4
238.06261	2.9
239.07100	1.6
239.10617	1.3
239.15367	1.9
253.08653	7.7
254.09229	1.2
255.06535	1.7
259.06061	1.5
263.10904	2.0
267.10269	6.5
269.04422	1.5
269.08157	1.8
270.08899	2.2
273.25781	1.6
277.08575	1.5
279.26822	1.2
279.68182	1.4
281.08371	1.7
284.06821	1.5
285.04138	2.1
285.11255	13.6
287.05414	5.8
291.26770	4.1
295.09665	3.1
295.13010	2.0
299.05496	1.5
299.09113	3.2
300.02808	2.3
303.04889	1.7
309.10995	2.6
309.27859	2.7
313.03384	3.2
313.10834	5.8
315.04932	4.5
327.12186	14.0
327.15610	1.9
329.06595	2.7
330.03690	2.5
330.07208	11.9
331.04422	3.3
345.05991	10.1
345.09705	21.4
345.13400	9.8
345.16867	1.9
346.06772	15.5
346.10330	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56924	1.0
55.05508	2.3
56.96572	1.0
59.62245	1.1
61.67692	1.0
65.03926	1.7
67.05514	4.1
67.51736	1.0
69.03432	2.2
69.07075	4.9
70.00728	5.9
70.06590	2.2
71.04995	2.3
78.79199	1.0
79.05505	4.0
81.03422	3.4
81.07070	9.7
83.05006	1.2
85.02909	3.6
86.56281	0.9
91.05484	6.8
93.07038	3.4
94.04179	1.6
94.80560	1.0
95.04971	1.4
95.08614	6.9
97.02859	1.8
97.06538	1.7
97.10201	1.7
103.05473	10.8
105.07056	3.3
107.04953	2.6
107.08602	4.8
109.02879	1.4
109.06508	1.5
109.10181	6.0
111.04425	2.0
115.05485	3.4
117.07004	4.9
119.04890	1.5
119.08566	2.2
121.06540	4.0
121.10191	2.5
121.42448	1.0
122.03658	3.4
123.04454	1.1
123.08085	1.6
123.11700	2.5
123.61337	1.1
128.06194	1.2
129.07045	2.4
131.04929	18.7
131.08534	1.2
133.06493	1.7
133.10176	1.4
135.04395	1.8
135.08089	1.2
137.05986	53.5
137.09644	4.0
137.13280	1.6
139.03957	1.2
142.32338	1.0
143.05023	1.0
143.08543	1.5
145.06462	1.8
147.04439	2.1
147.08093	2.4
149.06033	1.7
149.13264	1.6
151.03963	1.6
151.07547	15.8
153.01823	1.3
153.05449	1.3
159.08093	1.1
161.05966	5.7
162.06821	2.8
163.07561	39.6
165.05473	1.4
165.06982	2.2
165.09111	5.3
167.03439	2.0
167.07089	1.4
171.08063	1.9
173.11728	1.0
175.07571	7.1
177.09117	100.0
178.09427	1.9
179.08597	1.3
181.04953	1.5
181.06456	1.7
182.07318	1.2
183.13852	1.4
189.09187	1.1
191.07077	4.2
195.08418	1.8
195.10164	8.4
197.09546	1.0
200.04709	1.2
203.07048	1.6
203.10646	1.5
207.08150	1.6
209.05948	1.2
210.06618	1.0
211.07664	1.5
213.09146	1.2
221.05966	2.1
221.11708	7.6
225.09061	2.9
231.06540	3.3
235.07520	1.1
238.06331	1.4
239.07040	1.8
239.10619	1.5
241.08537	2.1
243.06587	1.8
253.08615	4.1
256.07294	2.4
259.06024	13.2
267.10147	4.0
269.08249	2.9
269.11920	1.1
271.44357	1.3
277.08679	1.8
285.04126	1.7
285.11279	5.2
287.05603	11.2
288.05762	1.5
295.09525	2.6
299.09195	7.0
299.12814	5.0
301.06937	1.4
301.14365	1.5
303.04959	1.4
313.03387	2.3
313.07205	1.4
313.10602	5.1
315.05020	19.6
316.05389	1.9
317.06726	3.6
327.12286	10.0
327.15823	2.1
328.12674	1.5
329.06528	1.5
330.04065	1.2
330.07333	30.5
331.04251	1.4
331.07773	2.9
345.06000	9.0
345.09723	50.8
345.13440	12.2
345.18063	1.6
346.06732	4.7
346.10156	3.6
346.13708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35120	2.0
62.24734	1.9
63.59706	1.8
67.05500	3.9
69.60262	5.7
69.60680	10.9
69.94340	2.1
79.05501	3.9
81.07038	5.8
91.05490	9.8
93.07037	2.5
103.05496	13.9
105.07054	4.0
109.06550	2.8
115.05465	4.5
117.07027	5.2
119.04903	3.0
121.06516	5.4
122.03667	5.9
124.07597	3.3
127.03938	3.2
131.04932	21.9
133.06491	7.5
135.07997	2.2
137.05977	78.0
149.05986	6.4
151.07552	14.8
161.05978	14.6
162.06757	4.2
163.07556	44.5
165.06938	5.8
175.07536	7.0
177.09116	100.0
181.04965	2.3
181.06520	2.4
193.06544	7.6
194.07124	2.4
195.10199	8.2
203.06992	4.5
207.08070	3.4
207.09900	3.0
210.06786	3.7
221.06119	11.9
221.07912	2.9
221.11720	6.2
225.09096	11.7
238.06299	3.8
253.08621	18.1
267.10251	6.3
285.11240	34.9
286.11526	2.3
299.09247	2.7
299.12796	4.1
309.11273	5.4
313.10632	4.3
315.08701	4.8
327.08621	2.0
327.12271	33.7
345.06030	5.3
345.09760	4.0
345.13504	6.4
346.24576	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03930	2.4
55.01881	4.3
55.05517	4.8
56.96563	4.1
61.02940	2.3
64.26880	1.7
65.03936	5.4
67.05503	6.7
69.03439	4.2
69.07063	4.7
69.72411	9.0
69.72826	3.2
71.05002	2.9
75.34021	1.6
79.05497	5.2
81.03416	5.8
81.07069	12.0
83.04971	3.0
85.02905	7.2
85.06509	2.0
91.05509	9.4
93.03432	2.4
93.07050	5.5
95.04987	3.0
95.08611	10.6
96.02116	5.5
97.02876	2.7
97.06535	1.6
98.97611	2.6
103.05463	3.4
105.07053	5.6
107.01322	3.2
107.04967	3.4
107.08593	6.5
109.02885	4.1
109.10160	6.8
111.04456	25.3
115.05456	2.8
117.03423	1.9
117.07065	2.0
119.08586	3.1
121.06482	2.8
121.10169	2.4
122.03581	1.7
123.04473	2.8
123.11726	4.2
125.09593	2.9
127.03904	1.9
129.07027	4.0
131.04951	6.8
131.08586	3.8
133.02805	2.1
133.10156	3.0
135.08049	2.2
135.11702	2.0
137.05997	18.8
137.13237	3.2
139.03894	19.0
144.05708	4.3
145.06508	5.8
147.04407	4.2
147.08041	3.4
147.11725	4.0
151.03899	1.9
151.07539	3.0
152.06256	2.2
153.05536	3.7
153.07004	4.8
155.08545	3.7
157.06493	6.5
159.08072	8.0
160.08855	4.4
161.06007	8.3
161.09634	2.3
162.06836	8.6
163.07561	5.0
165.05612	2.7
165.07047	5.9
165.12714	3.3
166.32373	1.9
167.03407	6.4
167.07146	2.6
167.08586	4.5
168.05717	5.5
169.06462	4.2
171.08168	2.6
173.06027	3.9
175.07587	5.7
177.05504	4.3
177.09117	5.0
178.05914	2.4
178.07768	2.7
179.08531	8.8
181.06581	12.1
183.08075	4.3
183.13759	3.6
183.52791	1.7
185.06041	4.3
185.09607	4.0
187.07549	4.2
188.08357	10.5
189.09068	4.7
191.07063	6.0
195.08044	6.9
196.05176	3.6
196.08948	4.5
197.05991	6.2
197.09662	4.9
198.06767	22.8
199.07632	3.1
200.08376	4.9
206.07346	3.7
206.09386	2.8
207.08113	8.5
208.08794	2.4
209.06044	5.9
210.06767	5.7
211.07626	8.3
211.11198	5.6
212.08299	2.3
213.05511	7.8
213.09224	6.1
221.09631	2.9
223.07597	11.3
224.04691	3.0
224.08337	7.3
225.05557	2.7
225.09079	6.8
226.06261	7.0
227.07059	7.8
227.10431	1.8
228.07896	5.8
235.07651	4.7
236.08162	2.1
237.05521	4.6
237.09187	2.6
238.06247	5.5
238.09865	9.1
239.07027	24.2
239.10640	18.4
240.07803	12.1
241.05031	8.5
241.08600	12.3
243.06546	15.8
249.09294	4.1
251.07008	4.1
252.07889	6.3
253.04883	2.4
253.08549	13.1
253.12199	4.4
255.06519	6.3
255.10489	4.7
256.07343	23.5
256.10834	4.0
257.08020	4.0
258.09030	2.2
264.11279	7.3
265.08588	2.6
266.09457	3.3
267.07004	3.9
267.10156	30.9
268.07339	25.8
268.10620	4.7
269.08102	29.1
270.08658	3.3
271.06012	2.0
271.09668	6.2
271.13351	5.6
281.08185	5.2
281.11703	5.8
283.09647	3.2
284.06790	5.2
284.10443	11.7
285.11176	4.4
286.08432	6.0
291.20309	1.9
295.09641	12.2
296.10504	12.3
299.09180	100.0
299.12784	20.5
300.09659	8.5
300.12506	2.1
313.03500	2.3
313.10699	32.5
314.11243	4.3
315.04990	3.2
317.13989	3.2
327.12302	91.6
328.12601	5.0
330.07291	5.0
345.06119	9.0
345.09637	11.9
345.13382	72.2
346.06549	2.6
346.13742	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	345.1335
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
50.05151	1.8
55.01871	3.8
55.05501	6.5
56.96553	8.2
57.03443	3.8
57.07062	3.6
59.04980	2.3
61.46760	2.2
65.03930	6.6
67.05507	13.6
69.03458	2.7
69.07059	9.7
70.06612	2.6
71.04977	4.4
71.60072	2.2
71.60536	2.4
78.20090	1.9
79.05491	4.6
81.03417	3.8
81.07056	20.1
83.04980	4.1
83.08603	2.2
84.08197	1.9
85.02885	9.5
85.06532	2.7
89.63258	2.3
91.05470	8.5
93.03381	2.5
93.07029	9.8
95.04983	4.5
95.08598	16.4
96.02110	5.4
97.02898	2.3
97.06531	3.3
97.10162	2.7
97.85730	2.0
98.97598	2.5
103.05480	3.6
105.07038	6.4
107.04874	2.2
107.08589	8.1
109.02872	5.8
109.10165	7.7
111.04446	27.7
112.07598	2.0
115.05428	3.4
119.04941	3.2
119.08588	6.8
121.06509	3.9
121.10159	4.0
122.03619	2.4
123.04420	2.9
123.08056	3.2
123.11715	5.5
127.03949	4.2
128.06218	2.7
128.98579	2.8
131.04926	7.1
131.08534	2.7
133.02821	2.9
133.06400	3.0
133.10150	4.1
135.04379	4.1
135.11688	3.5
137.05977	29.1
137.09561	2.3
137.13286	2.9
139.03920	19.8
141.06970	2.7
145.06490	6.2
147.04395	5.6
147.11673	3.1
149.05963	3.2
149.13245	3.0
151.03891	2.3
151.07544	8.0
153.01797	3.5
153.05548	2.7
153.06982	4.0
155.08548	3.6
157.06499	5.7
158.07280	2.9
159.06828	2.4
159.08069	9.5
160.08836	5.4
160.97356	7.4
161.05977	7.8
161.09583	4.0
163.07523	8.2
163.14850	2.6
165.07001	4.1
165.09085	3.4
167.03401	9.2
167.07108	3.8
167.08578	3.3
168.05659	5.5
169.06555	4.6
172.05051	5.4
173.06067	3.7
175.07552	5.0
177.05493	4.3
177.08975	4.6
178.07797	5.1
179.08507	4.8
181.06445	8.6
182.07291	2.5
183.08157	4.0
185.06000	6.7
187.07564	5.8
188.08311	10.7
189.09091	5.4
191.07034	5.4
195.08025	6.0
196.05220	3.6
196.08835	2.7
197.05988	4.0
197.09604	4.4
198.06761	17.2
199.07547	3.7
200.08249	2.7
203.07065	4.0
206.07211	3.8
207.08087	9.3
208.08801	2.4
209.05972	6.1
209.09641	2.4
210.06761	5.7
211.07645	12.7
211.11185	6.8
213.05469	9.2
213.09009	3.5
218.05556	6.0
221.09708	4.2
223.07544	9.9
224.04846	2.8
224.08374	11.0
225.05482	2.4
225.09081	5.1
226.06331	6.8
227.07036	6.1
228.07765	6.2
235.07623	3.7
237.05452	5.0
237.09056	3.7
238.09915	9.2
239.07042	24.0
239.10681	16.7
240.07788	10.7
241.04906	5.3
241.08588	14.6
243.06508	18.1
243.10191	3.5
249.09229	3.0
251.07141	3.6
252.07790	5.6
253.05133	2.8
253.08580	14.4
253.12167	4.0
255.06598	4.7
256.07285	20.0
256.11179	3.2
258.08902	2.9
266.09326	2.6
267.06982	4.4
267.10190	29.3
268.07336	21.5
268.10202	4.1
269.05029	4.1
269.08081	30.8
270.08630	3.8
271.09689	7.8
271.13263	8.0
276.98544	2.5
281.08011	5.0
281.11792	4.1
284.06992	4.4
284.10406	9.5
285.11163	4.2
286.08417	7.7
287.05539	3.8
295.09729	12.4
296.10339	13.2
299.09152	100.0
299.12723	19.9
300.02463	4.4
300.09412	3.4
301.07098	8.7
312.09991	2.9
313.03391	7.7
313.10727	29.9
314.11295	3.4
315.05048	3.5
315.08539	2.6
327.12265	93.3
328.12589	3.7
330.07291	3.8
333.07626	3.5
345.06064	13.4
345.09888	6.6
345.13333	79.3
345.20532	3.3
346.02090	4.1
346.06689	26.8
346.13675	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	345.1335
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
51.25880	1.2
52.35142	1.0
57.03425	2.3
62.12897	1.2
64.86604	1.1
67.05502	4.1
69.03424	3.0
69.07069	2.0
69.62840	2.1
69.63245	6.9
70.06602	1.5
71.04987	2.9
72.08157	1.5
73.02905	1.0
79.05507	5.5
81.03417	2.4
81.07056	5.0
83.04977	1.1
83.08612	1.1
84.04472	1.3
85.02910	3.4
85.06548	1.3
86.09678	2.4
91.05477	8.7
93.07045	2.8
94.04193	1.2
95.04982	2.5
95.08608	4.0
97.02908	1.9
97.06509	2.0
98.20742	1.8
99.04460	1.4
103.05467	3.0
105.07043	3.6
107.04974	4.3
107.08600	2.2
109.02877	1.9
109.06525	2.5
109.10152	2.2
111.04411	1.5
111.08086	1.3
114.10291	1.1
115.05482	3.2
117.07037	1.6
118.30656	1.0
119.04941	1.8
119.08582	2.2
121.06508	3.5
121.10139	1.3
123.04462	2.6
123.08044	1.7
124.07568	2.2
124.79849	1.0
125.05981	1.7
131.04900	7.5
131.08484	1.3
133.02832	1.2
133.06496	3.6
135.08072	2.7
137.05975	43.7
137.09624	2.5
137.13295	1.2
140.07080	2.4
143.04947	3.1
145.06447	1.5
146.03642	2.1
147.04399	3.7
147.07954	1.5
147.11717	1.6
149.05991	6.8
151.03917	3.6
151.07542	2.1
153.05452	4.6
154.07838	1.4
161.05994	33.0
163.07571	4.3
165.05591	2.4
165.06960	12.0
165.09119	2.1
165.12743	1.2
167.04936	1.1
167.07024	3.8
167.08478	2.4
169.06346	1.5
175.07616	6.1
177.05484	3.4
177.09135	1.3
178.07808	1.7
179.07071	4.5
179.08571	4.0
180.06479	1.4
181.05060	1.6
181.06514	3.3
182.07246	7.2
183.11887	1.0
183.13705	1.9
188.04639	5.7
191.07050	6.4
193.06485	14.5
194.07230	3.8
195.08066	2.1
196.08765	2.0
197.06004	1.9
197.09665	2.7
199.07556	1.5
203.07024	14.9
206.07365	1.3
207.08119	6.2
209.05981	2.5
210.06758	12.4
211.07518	3.8
211.99921	1.4
213.09085	1.6
218.07321	1.6
221.06046	19.9
221.08148	3.1
222.06477	1.5
223.07578	2.4
224.08427	6.8
225.05556	2.5
225.09111	30.4
226.09476	2.4
227.07066	4.7
234.06700	1.6
235.07568	4.2
236.08408	1.4
238.06241	12.1
239.07022	4.2
239.10689	2.3
241.08649	1.4
244.33951	1.5
249.09138	4.1
249.13025	1.2
251.07054	2.2
252.07855	4.6
253.08598	53.2
254.09111	4.7
255.06584	4.3
259.08557	2.0
265.08673	1.8
267.10156	15.7
269.08035	2.1
270.08887	7.7
271.09799	1.5
277.08588	8.0
280.07166	1.4
281.08255	1.7
285.11224	100.0
286.11523	4.7
294.08969	1.4
295.09659	9.7
297.07669	1.2
299.09305	2.8
299.12662	2.6
309.11240	13.5
310.11331	1.9
313.10782	7.2
314.11258	1.7
315.08768	1.5
327.12277	97.5
328.12717	3.6
330.07336	2.0
345.06082	5.0
345.09818	4.9
345.13428	24.8
346.13431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96615	1.3
57.03432	2.9
61.02934	5.6
65.03953	1.4
67.58795	1.2
68.10712	1.4
69.03448	8.8
71.23545	3.4
73.02946	1.9
81.03413	3.5
85.02906	49.2
91.03930	3.1
93.03416	2.3
97.02905	13.3
99.04451	1.7
108.68810	1.3
109.02909	2.3
111.04440	9.1
127.03876	11.2
132.04494	2.7
139.03903	22.5
145.04970	16.9
148.03932	100.0
163.06041	4.8
180.08701	5.3
292.44540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77476	1.0
53.03942	1.4
54.23456	1.3
57.03442	2.3
61.02930	4.3
69.03429	7.1
71.23660	3.5
73.02931	1.6
81.03411	3.7
85.02906	46.8
85.54243	1.1
91.03985	2.4
93.03422	1.5
97.02901	10.4
99.04459	1.8
104.07328	1.2
109.02863	2.8
111.04429	9.2
111.50493	1.6
119.24542	1.3
127.03940	7.9
132.04433	5.8
139.03918	20.5
145.04962	18.6
148.03937	100.0
163.05980	7.2
172.76842	1.5
178.23836	1.3
180.08699	10.1
344.80118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.097
Annotation	5,7-Dihydroxy-3,3',4'-trimethoxyflavone
Peak:m/z	Relative Intensity
50.87532	1.8
54.57187	1.5
55.01872	1.9
55.05500	3.5
56.96549	2.1
58.68441	1.8
67.05491	5.2
69.07059	2.5
69.75650	10.7
71.08604	1.8
79.05494	4.9
81.03408	2.5
81.07036	7.8
82.03338	1.7
83.08624	1.6
85.50057	1.9
91.05486	3.9
93.03457	1.7
93.07065	4.7
93.20005	1.6
95.04967	2.1
95.08612	5.3
98.21502	2.4
99.08104	2.4
103.05464	1.6
105.07010	3.3
106.37667	1.9
107.04929	2.8
109.10146	4.7
119.08566	3.2
121.02859	2.3
121.10144	2.6
123.04425	2.4
131.04961	1.8
131.08536	2.3
133.10165	2.9
137.05966	6.3
141.09055	2.6
147.04366	1.8
149.06007	2.4
153.01862	2.6
161.05846	2.1
173.11731	2.7
191.07034	4.3
193.12251	18.9
203.07199	2.2
221.93068	1.6
241.05138	2.6
259.06070	2.6
269.04489	2.6
285.11807	2.3
287.05499	24.3
313.03430	3.4
313.10703	8.2
315.05035	16.8
327.12289	2.0
329.06754	9.1
330.03735	3.0
330.07303	49.1
331.07465	3.1
345.06183	6.4
345.09677	100.0
345.13199	7.1
345.20670	4.0
346.09946	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	345.0972
Annotation	Robinetin trimethyl ether
Peak:m/z	Relative Intensity
66.98247	0.5
67.05507	0.6
70.56110	0.5
70.56448	2.0
81.07058	0.7
95.01344	0.6
109.02900	0.6
114.36482	0.5
114.92470	0.6
124.05246	1.3
125.09612	0.8
151.03918	2.1
167.03423	1.8
189.11250	1.1
203.07213	0.7
231.06502	3.7
241.04874	0.8
244.07397	0.7
255.85336	0.5
259.06088	9.1
271.05994	1.3
272.03406	0.7
272.06836	0.6
283.05988	0.5
285.07596	0.8
286.04749	0.7
287.05505	14.4
299.05316	0.7
301.07043	4.1
302.07910	1.9
313.07196	0.7
314.04242	2.3
315.04993	14.3
316.05411	0.9
329.06580	14.4
330.07355	64.1
331.07697	2.4
345.09717	100.0
346.09985	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	345.0969
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01863	0.2
55.05498	0.4
60.76858	0.2
67.05479	0.8
69.03415	0.3
69.07073	0.9
69.97723	0.7
69.98135	0.4
71.04987	0.2
79.05484	0.5
81.03393	0.4
81.07064	2.6
83.08593	0.4
85.02877	0.4
85.06514	0.3
91.05469	0.3
93.03402	0.2
93.07014	0.7
95.01319	0.4
95.04937	0.3
95.08607	1.9
97.06533	0.2
97.10153	0.2
100.11244	0.3
103.05441	0.2
105.07015	0.4
107.04947	0.3
107.08588	0.8
109.02887	1.0
109.10159	1.1
111.04444	0.3
111.08087	0.4
118.98326	0.2
119.04993	0.2
119.08564	0.3
121.02837	0.5
121.10136	0.5
122.03652	0.2
123.04420	0.3
123.11685	0.7
124.05186	0.8
131.04918	0.3
133.06474	0.3
133.10091	0.3
134.03601	0.4
135.04388	0.4
135.11722	0.2
137.05971	1.9
137.13223	0.7
139.03859	0.3
147.04372	0.2
147.11641	0.3
149.13245	0.5
150.03084	0.2
151.03899	3.4
151.05089	0.2
153.01808	0.8
153.12666	0.2
161.05965	0.2
161.13322	0.2
163.03947	0.2
163.07535	0.5
164.04645	0.3
165.05418	0.3
166.12148	0.2
167.03403	2.2
167.06995	0.4
171.04308	0.3
175.07509	0.2
177.09122	0.3
179.03394	0.4
187.03883	0.3
191.07115	0.3
192.04050	0.2
193.01286	0.3
199.03857	0.3
201.05446	0.2
203.03337	0.2
203.07060	1.0
204.04193	0.2
207.03050	0.2
207.79938	0.2
208.03658	0.2
211.07506	0.2
213.05478	0.5
214.06149	0.3
216.04124	0.3
217.04950	0.3
227.03427	0.2
227.06929	0.2
228.04271	0.3
229.04984	0.7
231.06528	5.1
241.04958	0.7
242.05727	0.6
243.02950	0.2
243.06606	1.1
244.03780	0.4
244.07344	0.7
245.04390	0.5
256.07245	0.4
257.04456	0.6
257.07962	0.4
258.05341	0.4
259.06036	9.4
260.03210	0.4
260.06378	0.4
269.04422	0.6
271.03174	0.2
271.06018	1.6
272.03482	0.4
272.06866	0.6
273.07593	0.4
283.06119	0.9
284.03531	0.2
284.06778	0.4
285.04001	0.5
285.07587	0.7
285.10818	0.2
286.04730	1.0
287.05518	15.7
288.02838	0.4
288.05945	0.6
291.26791	0.2
299.02319	0.3
299.05560	0.9
299.08856	0.3
300.02628	1.2
300.06265	0.7
301.03851	0.3
301.07068	5.8
302.04462	0.2
302.07797	2.6
303.05020	0.4
313.03610	0.3
313.07104	0.7
313.10617	0.3
314.04279	2.7
315.04999	12.1
316.05640	0.9
317.03049	0.3
317.06525	0.4
327.05096	0.3
327.12405	0.3
329.06570	18.5
330.07346	62.4
331.04343	0.5
331.07700	2.2
344.31223	0.4
345.06512	4.2
345.09705	100.0
346.06744	5.5
346.10199	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	345.0967
Annotation	Robinetin trimethyl ether
Peak:m/z	Relative Intensity
71.05269	0.3
71.05607	0.5
95.01309	0.3
109.02859	0.9
124.05203	1.2
124.06017	0.3
139.71704	0.3
142.16722	0.3
151.03891	2.8
167.03416	1.9
193.04865	0.3
203.07079	1.0
213.05513	0.4
227.03239	0.4
229.04996	0.4
231.06500	4.6
241.04953	0.8
242.05882	0.4
243.06477	0.6
244.07298	0.6
245.04327	0.4
257.04172	0.3
257.08212	0.4
259.06018	9.6
269.04428	0.5
271.05966	1.2
272.03088	0.3
272.06766	0.6
283.05829	0.5
284.06793	0.4
285.07513	0.6
286.04681	0.7
287.05521	13.4
288.05942	0.6
299.05661	0.8
300.06387	0.8
301.07062	5.2
302.07904	3.0
313.07050	0.5
314.04233	2.1
315.04987	12.1
316.05521	1.0
329.03384	0.2
329.06546	17.5
330.07336	70.5
331.07675	3.1
345.09689	100.0
346.09998	5.0
351.36484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	23.1
57.03441	5.4
57.07055	4.7
67.05515	29.1
69.03411	4.9
69.07049	17.2
70.79430	9.3
70.79794	9.1
71.04982	19.1
79.05483	17.0
81.03407	8.6
81.07058	36.8
83.04968	9.5
83.08624	11.5
91.05485	25.1
93.07045	28.9
95.04943	12.5
95.08605	21.9
97.06503	5.9
105.07025	17.4
106.41170	5.1
107.04900	6.1
107.08589	15.8
109.06502	6.9
109.10152	13.7
111.04451	4.5
111.08075	8.3
117.07066	5.0
119.08549	16.1
121.02851	9.9
121.10124	15.9
123.08078	6.6
123.11653	4.6
125.09625	5.2
126.33794	4.6
131.08554	6.8
133.10143	6.1
135.08066	5.0
135.11723	8.9
137.05945	5.2
137.09587	7.9
142.28874	4.3
145.10115	9.2
149.09550	5.3
161.09697	7.7
173.11685	11.2
175.01581	4.1
283.58829	4.7
287.05557	11.0
291.19470	11.0
315.04959	48.0
329.06577	6.8
330.07352	16.5
345.06076	8.8
345.09683	100.0
345.13455	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45853	2.8
55.05512	11.1
56.96558	5.3
59.53649	3.3
67.05507	19.1
69.07073	100.0
71.04999	50.2
73.02938	7.8
79.05496	17.7
81.07069	17.0
83.04976	6.0
83.08617	4.0
84.56567	3.0
89.06065	3.5
91.05482	11.9
91.16170	2.9
93.07071	10.1
95.04948	6.1
95.08615	9.8
97.06535	26.9
105.07052	6.1
107.08597	3.3
109.10156	4.2
115.07584	35.5
117.07029	3.1
119.08606	5.1
120.22977	3.5
129.07086	3.2
131.08533	3.4
193.12285	5.6
229.29132	4.8
231.06516	6.1
259.06024	11.1
287.05545	18.2
315.01666	4.6
315.04861	15.5
329.06699	13.6
330.07391	50.4
345.06122	7.2
345.09726	85.9
345.13928	5.0
367.17795	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09641	3.7
53.03951	6.8
55.01870	8.3
55.05512	46.1
56.96555	4.7
57.03438	11.1
57.07090	4.6
57.47633	3.9
57.92524	3.7
67.05508	20.1
69.03426	4.4
69.07075	18.8
70.01183	15.2
70.06607	5.2
70.34184	3.3
79.05492	66.8
81.03419	14.3
81.07063	29.0
83.04995	5.4
83.08632	22.2
85.02907	9.0
91.05499	23.4
93.07040	80.2
95.04965	14.0
95.08616	29.4
97.02920	4.6
97.10178	44.4
105.07027	13.8
107.08586	16.4
109.10202	12.8
110.61507	4.5
111.08079	6.6
115.23559	3.8
117.07040	4.0
119.08585	8.4
121.02877	4.6
121.06530	5.0
121.10143	40.8
123.04440	4.7
123.08096	21.7
125.09631	33.5
125.68620	4.0
131.04984	6.5
133.10121	6.0
135.04440	3.8
135.08066	6.8
137.06010	15.5
141.09102	14.3
147.08093	4.0
149.09662	4.3
151.03917	3.8
151.11194	4.3
153.09146	3.7
155.28711	4.3
161.05992	4.7
161.09764	4.5
167.03447	8.2
167.07048	6.7
175.07542	4.6
175.11302	3.6
175.21063	4.3
179.10866	3.6
184.07431	3.9
189.11230	51.0
191.07050	13.1
201.41386	3.8
221.15411	13.8
223.13301	11.2
235.07430	3.8
241.08702	3.9
245.05307	4.5
267.10135	4.9
270.01752	3.8
273.18591	9.2
283.05984	10.2
285.07480	4.5
285.11316	10.9
287.05591	6.4
291.19476	13.3
295.09631	4.9
299.09109	5.2
305.91013	4.1
309.20734	22.4
313.03525	6.6
313.07101	50.8
313.10803	24.3
315.04834	4.9
329.06641	9.3
330.07373	38.4
330.10992	5.9
344.12131	9.5
345.06201	7.9
345.09729	100.0
345.13470	27.3
345.17038	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01858	5.9
55.05502	13.5
57.03422	11.9
59.03319	2.7
67.05508	43.7
69.03424	5.2
69.07071	51.9
69.39051	16.1
69.39472	11.0
71.05006	22.8
73.02899	5.2
79.05493	46.3
81.03411	20.2
81.07063	40.3
83.04987	7.9
83.08604	4.1
85.02918	3.0
85.06535	5.6
91.05482	24.3
93.07037	29.0
95.04980	35.5
95.08613	26.3
97.06538	100.0
99.08083	4.2
105.07037	22.6
107.04965	8.3
107.08627	15.8
109.06522	18.8
109.10150	12.0
111.08076	4.3
113.05968	3.5
115.07566	36.4
117.07032	12.4
117.18600	3.4
119.08571	11.9
121.06458	3.6
121.10144	12.8
123.08062	6.6
131.08562	14.2
133.10104	16.3
135.08051	7.8
135.11679	4.2
137.05948	4.5
143.08525	5.9
145.10115	10.7
147.08055	4.8
147.11690	5.9
149.09616	7.2
149.13226	6.4
151.11177	6.4
153.09111	3.0
157.10135	5.2
159.11684	7.1
161.09679	3.2
175.11230	3.9
177.12761	8.1
195.13751	7.2
216.12173	3.3
219.13783	3.6
223.13275	6.3
227.71475	3.3
237.14565	3.0
251.16429	7.0
273.18546	9.2
278.87494	2.9
291.19504	16.6
309.20660	9.5
313.10880	4.0
324.17227	3.2
330.07489	6.1
336.57458	3.2
345.09708	13.4
345.13409	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04378	2.2
50.81946	2.2
53.03941	3.9
55.01862	3.8
55.05514	39.5
56.96564	3.1
57.03431	11.2
67.05511	20.6
69.03426	5.7
69.07059	15.3
71.05000	3.6
71.57922	2.5
76.79095	2.5
79.05503	56.5
81.03418	8.4
81.07050	15.2
83.04994	3.7
83.08625	22.1
91.05489	16.6
93.07047	60.1
95.04968	9.6
95.08609	23.9
97.02899	4.7
97.10171	41.9
98.64122	2.2
105.07047	9.3
107.08592	9.8
109.06529	4.4
109.10144	5.7
119.08577	3.4
121.10135	27.8
123.08054	17.6
125.09635	38.3
126.83418	2.4
131.04922	4.2
137.05980	10.8
139.11243	3.1
141.09087	9.0
143.10576	3.8
151.03955	2.8
153.09163	3.4
159.04395	2.5
161.13234	3.1
165.09186	2.5
167.03340	12.2
167.07196	3.6
171.10201	3.6
189.11241	52.3
191.07053	3.9
221.15347	16.1
223.13326	10.8
253.10860	2.7
259.06085	4.2
267.10153	3.4
269.08099	2.6
273.18515	5.8
280.87936	2.8
285.07480	4.6
287.05646	3.3
291.19620	11.4
298.04794	5.5
309.20581	17.4
313.03607	3.1
313.07092	53.7
313.10760	7.8
315.05133	5.7
327.12283	2.7
329.06451	3.5
330.07324	24.7
344.12070	4.7
345.06299	5.8
345.09726	100.0
345.13449	9.7
364.59943	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	344.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01857	0.5
55.35150	0.4
56.05028	0.6
56.96568	0.7
57.03405	0.5
57.07070	0.6
61.02925	0.8
65.03918	0.4
69.03436	2.6
69.07063	1.1
69.92812	1.0
69.93227	1.2
70.06583	1.2
71.05010	0.6
73.02917	0.5
81.03423	2.0
81.04562	1.0
81.07066	1.0
83.06111	5.1
84.04507	0.4
84.08124	0.4
85.02902	7.6
86.09720	0.5
88.61782	0.4
91.05454	0.5
93.04531	4.2
95.04981	1.2
95.06087	5.9
97.02902	2.6
97.06545	0.6
98.97579	0.8
99.04462	0.4
102.46793	0.4
102.83861	0.4
104.04990	0.5
109.02889	1.4
110.07167	100.0
111.04453	0.9
111.05563	5.9
111.06808	0.6
111.07508	1.2
112.08749	1.8
113.06033	1.0
114.96806	0.5
116.07101	0.6
116.98658	0.8
119.04944	0.4
123.04426	3.3
125.82549	0.4
127.03928	2.0
132.04454	13.6
134.99707	0.7
136.05061	5.5
136.07556	0.5
137.02362	1.0
137.06021	1.0
138.06636	0.6
139.03900	2.4
139.04884	0.4
140.07063	0.8
141.05428	0.4
145.04973	3.2
147.04375	2.0
148.03935	8.0
156.07690	66.2
157.07988	1.0
161.01233	0.5
163.06032	0.8
164.03448	0.7
164.07091	1.7
165.05478	1.1
168.06516	0.8
168.07742	1.3
177.00786	0.5
178.04965	0.4
180.06343	1.3
182.05626	1.2
182.08208	1.3
206.04698	0.5
209.12903	2.1
214.08302	1.3
219.01891	0.6
237.02863	0.7
252.13458	3.4
280.13049	1.0
298.13986	11.9
299.14157	0.7
326.09515	0.7
326.13513	4.5
330.03693	0.6
344.14557	34.2
345.06030	1.0
345.10602	0.5
345.14981	1.5
352.68759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
56.96571	0.7
57.03432	0.8
60.05649	0.9
62.06081	1.4
68.05003	0.7
69.03439	3.5
69.07100	0.6
70.06595	8.7
71.04987	0.9
71.57935	0.9
72.08113	0.7
79.90897	0.6
80.04968	0.8
80.36353	0.6
81.03404	1.3
82.46150	0.6
83.04985	1.0
83.06094	2.4
84.04507	1.6
84.08140	0.9
85.02907	6.4
87.04474	1.0
88.03999	0.7
90.05574	1.9
92.90459	0.6
95.04922	0.6
95.06087	2.7
97.02892	2.4
98.06033	1.3
99.04398	0.9
99.05582	1.0
106.05040	0.8
109.02900	1.6
110.07168	17.6
111.04446	1.0
111.05563	1.0
112.02197	3.9
112.08731	1.5
113.00673	0.8
115.86326	0.6
116.07082	2.3
118.06502	0.9
119.01876	0.6
119.04923	0.7
123.04384	1.1
124.93342	0.6
125.07075	0.8
126.05587	0.6
127.03881	2.1
129.05498	0.6
129.06577	0.7
136.05127	0.7
136.07567	2.1
137.02344	2.5
137.06117	0.9
137.07092	2.0
138.05452	1.0
138.09155	0.7
141.06641	0.8
145.04968	2.0
146.06052	0.9
147.04353	0.6
147.06525	0.9
148.03876	0.8
151.03290	2.1
153.06601	8.7
156.07701	8.8
158.09296	0.6
164.05685	2.9
164.07069	3.3
165.05463	1.2
165.06573	5.5
169.06180	0.8
175.11961	1.5
179.06444	0.7
180.06308	1.0
181.06206	1.1
182.06731	5.1
182.08167	4.8
183.04788	0.7
183.07697	1.0
191.08174	2.2
192.08981	0.7
197.03796	17.7
215.04745	0.8
216.81911	0.6
223.05415	1.6
225.06908	11.8
225.08916	1.1
241.06430	10.9
244.15057	0.6
245.05112	0.7
269.05920	13.6
280.07495	6.4
298.08517	2.5
298.14059	2.1
312.12994	0.7
326.08069	25.0
326.13208	2.3
327.08243	0.8
344.09131	100.0
344.13834	5.5
345.09503	3.9
345.14346	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13013	0.3
67.05473	0.4
69.84695	1.3
79.05462	0.3
81.07040	0.4
89.06009	0.3
95.04942	0.9
95.08578	0.4
100.45593	0.2
105.03350	1.0
107.04984	2.0
109.02863	0.4
111.04398	0.4
115.07543	0.5
121.02882	3.3
123.04393	0.9
124.01542	1.0
125.02317	0.4
133.02835	0.6
135.04414	0.5
147.04346	0.6
149.02324	0.7
151.03889	1.0
163.03925	0.4
165.05449	0.8
167.03421	5.9
175.07585	0.3
179.03441	2.0
184.05144	0.6
197.04454	0.6
199.07524	0.6
200.04762	0.4
212.04623	1.3
213.05374	0.4
215.06999	0.7
217.08488	0.7
227.07016	1.9
228.03986	0.5
229.05057	0.4
230.05722	2.2
231.06508	0.4
240.04071	0.9
241.04892	0.5
242.05704	0.8
243.06526	2.4
244.07225	0.6
245.08011	2.7
246.05334	0.4
255.06580	3.1
256.03629	0.9
257.04480	2.5
258.05249	10.2
259.05826	1.2
268.03671	0.9
269.04535	1.5
270.05258	0.7
271.05975	1.2
272.06735	2.5
273.07617	6.9
274.07874	0.3
283.06033	6.4
284.03165	0.4
284.06354	0.5
285.07590	3.2
286.04745	5.8
287.05374	0.4
297.03967	1.7
297.07278	0.6
298.04715	2.0
298.07996	0.6
299.05548	3.8
300.03088	0.3
300.06091	1.7
301.07080	39.0
302.07361	2.2
311.05490	0.8
313.06964	1.9
314.04279	1.6
315.05170	0.5
315.08636	2.6
316.05634	0.9
316.09454	0.8
327.04971	1.0
328.05759	1.3
329.06558	21.0
330.07184	2.5
343.08121	8.0
343.12296	0.3
344.08917	100.0
344.31540	1.2
345.09360	6.8
368.84378	0.3
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
51.15627	2.8
53.03947	4.4
55.05510	23.9
56.01759	2.6
57.03433	3.8
57.07061	6.8
57.56146	2.0
59.05008	3.6
67.05500	36.0
69.03426	9.1
69.06719	4.4
69.07072	60.6
70.06590	4.8
71.04999	7.5
71.57491	4.8
79.05494	25.3
80.97849	2.3
81.03434	11.3
81.07060	100.0
83.04992	5.9
83.08620	17.4
85.02911	7.3
85.06543	11.9
86.28776	2.2
86.49960	2.4
91.05470	12.6
93.07049	42.1
95.04960	11.2
95.08612	83.0
96.08932	2.9
97.06536	9.8
97.10178	7.4
98.09697	8.8
99.08121	5.9
102.12611	2.5
103.05440	2.6
105.07044	15.8
107.04956	4.1
107.08601	38.1
109.02882	4.4
109.06525	6.2
109.10156	47.1
111.04470	2.8
111.08098	9.8
111.11728	14.1
119.08582	13.3
121.06488	4.3
121.10154	25.2
123.11696	39.5
125.05875	2.9
125.09641	6.1
127.03893	2.5
127.11188	2.5
131.08591	4.7
133.06470	4.1
133.10127	9.7
135.08069	3.5
135.11685	21.5
137.06001	9.1
137.09639	5.1
137.13266	9.5
139.11177	11.1
145.10092	7.7
147.11694	8.7
149.05977	4.4
149.13248	23.1
151.11249	3.3
151.14842	3.3
153.12773	7.5
158.97655	7.8
159.11659	4.9
161.05920	3.0
161.13324	5.3
163.07597	3.1
163.11183	8.3
163.14812	5.1
165.12836	6.4
171.13824	3.7
173.13319	5.1
175.07433	2.7
175.14818	4.5
176.08092	2.1
179.14371	3.2
181.04973	21.0
181.12277	3.1
187.14799	3.0
188.06871	3.1
189.09108	4.5
189.16496	4.8
191.17905	2.4
196.09456	3.5
215.18039	2.8
271.24222	5.8
277.25241	6.1
289.25336	8.9
295.26294	6.1
297.07724	3.4
297.10995	3.8
307.26169	21.6
311.09143	2.6
311.93045	2.4
325.10455	3.6
325.27240	5.8
343.11679	14.7
343.16168	27.4
344.01920	2.9
344.12195	3.1
344.16245	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01875	3.2
55.05505	10.9
57.03431	2.6
57.07087	6.2
58.99585	1.1
59.05005	2.5
67.05505	27.3
69.03434	3.4
69.07070	27.1
69.45418	8.6
70.06593	2.1
70.46011	0.8
71.04990	4.7
71.08642	1.6
79.05498	13.0
80.05043	0.9
81.03413	2.6
81.07059	100.0
82.07391	1.8
83.04987	1.1
83.08625	9.0
84.04514	2.3
85.02923	2.1
85.06550	12.5
91.05025	0.8
91.05486	5.4
93.07050	28.0
93.07631	1.6
95.04975	2.3
95.08610	55.3
96.08914	1.2
97.06546	5.4
97.10170	3.8
98.09686	1.9
99.08109	6.9
101.89224	1.0
103.05448	1.6
105.07030	10.8
107.05016	1.0
107.08598	25.2
109.02877	2.2
109.06551	2.5
109.10158	31.2
111.08092	18.3
111.11703	5.3
114.03783	1.0
114.10282	1.8
115.07618	1.2
116.01691	4.4
119.08578	5.6
121.10146	16.3
123.08054	1.8
123.11718	51.0
124.12103	1.0
125.09657	3.5
127.07587	2.1
127.11237	1.4
130.05038	1.2
131.04922	1.0
133.10149	3.4
135.11705	14.5
137.05989	3.4
137.13269	13.0
139.11186	2.8
140.04659	1.3
141.12743	2.8
142.03241	8.6
144.01151	2.1
145.10124	2.9
147.11708	6.0
149.13269	20.7
151.11192	2.9
153.05486	1.2
153.12753	6.6
155.14265	5.2
159.11722	3.7
161.13306	2.8
162.02222	7.1
163.03931	2.2
163.07529	1.8
163.11211	3.9
163.14822	4.5
165.12813	4.1
167.07129	1.3
167.14307	1.2
169.12257	2.7
170.02728	4.2
171.13780	2.9
173.13263	1.3
175.07584	1.7
175.14835	2.4
177.16391	2.7
181.04976	9.8
183.13834	2.1
187.13330	4.0
189.09055	1.0
189.16396	1.7
203.18004	1.6
215.17944	1.6
216.07010	1.0
217.16739	0.9
227.05014	1.0
245.05919	2.5
271.24292	2.2
277.25323	3.4
279.10172	1.1
281.07727	1.0
283.09650	1.0
289.25272	10.8
295.26352	2.6
297.11255	1.6
307.26355	13.0
308.26819	1.0
325.27417	3.1
343.11591	3.0
343.17352	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	343.2271
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	4.4
55.01865	5.2
55.05514	13.8
57.03439	7.6
57.07072	7.0
59.04987	3.6
64.88892	1.2
65.03933	1.9
67.05508	21.5
69.03438	9.5
69.07076	6.3
69.29952	14.0
71.04995	20.9
77.03921	1.7
79.05499	20.1
81.03393	3.0
81.07063	26.8
83.04971	5.3
83.08624	1.8
85.06544	3.2
88.04296	1.4
91.04939	0.9
91.05479	27.0
93.07052	58.0
95.04363	2.1
95.04975	44.9
95.08612	72.7
97.06545	11.8
97.10133	1.3
103.05482	2.7
105.07034	65.4
105.80678	1.4
106.07310	1.6
107.04955	3.0
107.08601	44.6
109.06522	13.4
109.10166	6.5
111.08087	1.4
115.05481	4.1
117.07024	27.4
119.08587	22.0
121.06514	9.3
121.10152	14.6
122.07344	2.0
123.08071	20.9
123.11724	1.9
125.06011	3.3
128.06245	2.9
129.06981	4.0
130.07805	14.0
131.08588	8.0
133.06487	4.8
133.10132	14.7
135.08069	19.7
135.11682	13.3
137.05959	3.7
137.09634	3.8
141.07019	1.6
142.07794	3.0
143.08582	9.7
143.69591	1.3
144.09280	1.4
145.06432	2.2
145.10127	69.1
146.10538	1.6
147.08075	10.9
147.11665	3.1
149.09615	5.2
151.07539	35.3
153.09126	2.4
155.08565	2.9
156.09325	1.5
157.10098	6.6
159.08076	4.3
159.11728	6.3
161.09645	8.7
161.13231	3.2
163.07501	2.3
163.11188	59.4
164.11545	1.9
164.83273	1.3
165.09134	13.7
167.08623	1.3
169.10103	1.6
171.11681	3.9
173.09726	4.4
173.13251	2.7
175.11195	3.9
175.14868	1.6
177.09140	4.3
179.07036	3.8
179.08499	1.6
179.10616	1.8
181.10127	2.2
181.12268	3.4
183.11757	2.9
185.13304	2.2
187.11183	4.2
189.09097	2.0
189.12718	7.1
191.10593	1.6
191.14331	4.6
193.12234	13.9
197.13333	4.3
203.14334	8.5
207.10025	1.8
207.13806	5.3
209.13318	2.5
209.15349	4.2
215.14302	1.4
217.12267	2.6
221.15367	29.8
225.12776	1.9
233.15405	1.9
245.15411	1.8
251.14195	1.7
259.16913	2.1
263.16455	7.5
269.15469	3.5
286.19299	4.1
287.16544	2.7
287.19977	2.1
307.20566	2.2
325.21664	8.9
343.22705	100.0
344.23047	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03954	5.7
54.08556	2.9
55.01883	7.2
55.05508	17.4
57.03446	5.5
57.07072	7.2
59.04990	4.1
65.03952	3.9
67.05510	20.8
67.75524	2.8
69.03438	9.6
69.07067	9.2
69.99985	17.4
71.05003	15.6
79.05499	16.9
81.07057	31.0
83.05006	5.0
83.08629	5.2
91.05504	22.7
93.07059	48.6
95.04985	45.8
95.08619	56.7
97.06521	13.4
105.07038	58.9
105.07682	5.1
107.04971	4.5
107.08611	40.8
109.06543	16.3
109.10185	6.9
115.05489	7.1
115.28436	3.1
117.07057	21.5
119.08600	25.0
121.06532	15.7
121.10156	13.4
121.16077	3.2
123.08096	20.7
125.06023	4.0
130.07780	9.2
131.08527	8.2
133.10147	15.1
135.08069	16.1
135.11710	12.9
137.05928	3.7
137.09721	4.7
143.08551	6.3
145.10147	63.0
147.08069	10.2
147.11703	4.3
149.09627	4.8
151.07556	38.1
157.10188	7.3
159.11755	9.2
160.97337	4.9
161.09642	5.1
163.11212	56.7
165.09129	13.7
168.96155	3.3
169.10132	5.0
171.11732	4.7
173.09621	5.1
175.11208	5.8
177.09152	7.3
183.11742	4.1
185.13243	4.2
187.11189	3.9
189.12721	7.5
197.13245	3.9
203.14357	5.4
207.13805	5.1
209.15402	6.9
215.14293	5.8
221.15388	25.1
263.16479	7.8
286.19208	5.1
293.21173	4.6
325.21545	9.5
343.22696	100.0
344.07962	4.2
344.22986	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03929	2.5
55.01871	3.9
55.05512	11.0
57.03428	6.5
57.07093	7.7
59.05025	3.4
65.03943	2.7
67.05506	23.1
69.03438	9.9
69.07059	4.9
70.03204	5.7
70.03619	2.7
71.05006	13.6
71.32249	1.4
79.05505	18.7
81.03397	1.8
81.07063	20.1
83.04959	4.9
83.08640	2.1
85.06540	2.5
91.05490	27.6
93.07050	51.8
95.04364	2.5
95.04969	39.0
95.08614	57.1
96.08978	2.1
97.06544	13.4
105.07034	61.2
107.04958	4.2
107.07877	2.2
107.08604	42.3
109.06542	11.6
109.10152	3.2
111.08145	1.6
113.09597	2.2
115.05453	3.7
115.82247	1.5
117.07027	20.8
119.08591	20.4
121.06523	12.4
121.10146	17.4
123.08077	22.7
123.11761	2.5
125.05944	1.9
128.06287	3.4
129.07025	3.6
130.07791	12.1
131.08592	8.2
133.06514	4.7
133.10138	12.8
135.08070	18.0
135.11688	9.7
137.05898	1.5
137.09619	4.7
142.07820	3.7
143.08556	9.2
145.10129	58.8
146.10408	2.3
147.08083	10.3
147.11700	4.1
149.09618	4.9
151.06413	2.8
151.07553	36.6
153.09149	3.5
155.08531	2.8
155.10681	2.5
157.10133	8.0
159.08060	3.4
159.11690	7.2
161.09650	5.9
161.13239	4.4
163.11192	50.2
164.11580	1.8
165.09143	12.7
169.10170	3.5
171.11697	5.7
173.09613	4.7
173.13339	3.2
175.11179	5.5
177.09102	4.1
179.06992	2.2
181.10193	2.9
181.12204	1.9
182.10895	2.1
183.11711	2.3
187.11206	5.5
189.09102	1.8
189.12776	8.5
191.10770	2.4
191.14326	2.2
197.13286	3.9
199.11235	2.5
203.14322	5.2
207.10123	3.1
207.13792	5.3
209.13327	2.4
209.15285	2.7
213.16360	2.0
215.14383	3.4
217.12149	2.8
221.15338	23.4
223.14819	3.5
225.16463	2.9
227.14195	2.0
233.15366	3.2
242.47977	1.6
245.15370	2.2
263.16492	6.8
269.15250	2.8
274.19446	2.1
286.19257	4.5
287.16589	2.0
307.20718	2.2
325.21509	11.0
343.22696	100.0
344.22986	5.1
357.49258	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33869	13.1
55.01870	29.2
55.05510	31.1
56.15931	10.1
56.96570	13.9
57.03431	19.6
59.38096	11.7
67.05518	67.6
69.03429	16.5
69.07069	35.1
70.22706	25.8
70.23074	51.0
71.05002	25.0
79.05494	47.1
81.03434	35.7
81.07056	100.0
83.04990	15.6
83.08624	22.3
85.02929	16.7
85.06548	14.6
86.09690	16.3
91.05479	41.7
93.07037	69.3
94.07385	11.7
95.04967	42.0
95.08627	55.1
95.57534	11.5
97.06541	89.4
97.10187	18.7
99.04464	15.0
105.07021	31.6
107.04884	14.8
107.08605	38.0
109.06538	25.7
109.10171	46.3
115.07579	11.9
117.07053	19.2
119.08596	31.0
121.06503	16.1
121.10138	28.3
123.11737	23.1
133.10173	29.7
135.08017	17.5
135.11731	19.2
137.06009	17.8
137.09666	18.4
145.10179	23.5
147.11726	16.1
149.09618	15.3
157.10089	15.8
161.06001	17.7
163.07561	18.5
163.11168	21.7
181.04959	38.5
283.09647	16.5
291.19687	16.6
307.33423	14.8
325.94690	12.9
343.11887	58.3
343.15591	21.8
343.22632	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	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.4
55.01870	2.5
55.05515	2.5
56.96540	0.9
57.03426	3.1
57.07074	1.9
61.02932	3.0
67.05510	1.9
69.03436	12.1
69.07072	2.1
69.73271	2.0
69.73687	3.4
70.06604	4.3
71.04996	2.8
72.08154	1.7
73.02920	2.0
79.05492	4.4
80.05070	1.1
81.03423	5.5
81.07064	12.7
83.04991	5.8
84.04485	2.5
85.02908	33.3
85.06522	1.2
91.03947	2.2
91.05460	5.1
93.07057	9.1
95.04977	20.8
95.08610	2.4
95.64036	0.9
97.02902	9.7
97.06530	3.5
99.04446	2.1
99.08094	1.4
103.03958	0.9
105.07035	8.0
107.04977	2.9
107.08578	10.5
109.02897	4.7
109.06529	3.4
109.10218	0.8
111.04457	1.9
114.10277	1.1
115.05453	0.9
116.01685	2.3
117.07019	3.8
119.04935	1.1
119.08568	5.0
120.08129	1.0
121.06507	4.1
121.10152	12.5
122.09692	2.6
123.04453	1.5
123.10015	2.9
125.05994	11.0
127.03931	8.2
129.06999	1.2
130.07767	2.2
133.06499	2.2
133.10147	1.5
134.09666	1.5
135.04419	1.1
135.08116	0.9
135.10007	1.6
135.11687	5.9
137.02377	1.9
137.05986	5.6
139.03954	1.4
140.04662	1.1
142.03214	2.9
145.04955	8.0
145.10132	17.7
147.08037	2.4
149.05957	2.3
151.03891	1.2
151.07549	2.0
153.05463	1.8
157.10103	1.2
161.05989	1.9
161.09642	1.3
162.02203	2.3
163.03889	3.3
163.11186	100.0
164.11554	1.9
165.09117	2.6
165.12729	1.0
170.02629	1.4
175.03932	3.2
175.07414	1.2
175.11142	1.4
180.10257	5.8
181.04985	13.6
181.08488	0.7
181.09007	0.9
181.10539	9.4
181.12253	16.0
182.05299	1.3
183.10191	0.9
186.71123	0.9
205.12192	1.7
211.09773	0.9
223.13403	1.6
238.08643	0.9
252.59554	0.9
253.87683	0.8
254.17569	3.6
284.05576	1.2
289.14478	1.1
300.18115	1.9
307.15497	1.2
324.61612	1.8
325.12015	1.0
333.62204	1.1
337.28976	0.9
343.07950	1.6
343.12967	3.1
343.17511	1.1
345.07425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1543
Annotation	Jamesoniellide D
Peak:m/z	Relative Intensity
55.01854	4.3
55.05493	4.9
56.96550	4.3
57.03425	7.8
65.03942	2.4
65.19346	1.3
67.05501	7.2
69.03410	6.7
69.07042	5.9
70.06571	5.2
70.12073	2.8
70.12483	5.5
72.01458	1.7
73.02598	1.1
73.02920	11.9
79.05515	7.2
81.03391	5.3
81.07062	12.1
83.04960	3.0
83.08599	2.9
84.04501	2.4
85.02898	6.0
85.06549	1.7
91.05463	9.2
93.07043	8.6
95.04954	6.3
95.08606	7.1
97.02894	4.7
97.10164	5.1
98.09673	4.2
98.97584	2.3
100.11247	1.8
103.05460	12.4
105.03356	1.7
105.07031	14.9
107.04959	13.2
107.08575	6.4
109.02869	2.4
109.06514	5.6
109.10140	4.6
111.04436	4.2
111.08114	2.1
115.03928	1.7
115.05471	7.0
117.07020	1.7
119.04939	2.5
119.08575	3.2
121.06494	3.7
121.10126	4.0
122.03679	2.3
123.04427	2.8
123.11726	2.2
125.09586	3.0
127.03975	1.9
129.06970	5.3
131.04927	21.0
131.08647	2.0
132.05719	1.8
133.06508	7.8
135.08057	2.9
135.11655	1.9
137.05981	37.5
137.09586	2.8
141.07002	3.0
143.00140	1.9
145.06461	3.2
146.03654	12.4
147.04352	4.0
149.05984	6.5
149.13315	1.8
151.03867	1.9
151.07562	8.0
156.05612	1.4
157.06430	1.9
160.21878	1.5
161.01216	4.2
161.05992	100.0
162.06439	4.1
163.03851	1.8
163.07553	53.3
163.11143	5.0
165.05621	2.0
165.07030	3.7
166.07724	3.0
167.07016	7.8
167.08391	2.6
168.05695	1.6
169.06474	3.8
171.06573	1.6
173.90440	1.8
174.06740	2.3
175.04028	2.0
175.07558	48.9
176.07886	2.0
177.05501	2.8
177.06993	2.9
177.09081	2.5
179.08504	4.1
181.04939	15.2
181.06389	2.5
181.08624	10.4
181.12134	3.5
189.07468	2.6
189.09114	13.2
189.11092	3.5
190.07820	5.8
191.17148	1.6
193.08607	1.7
194.07285	8.7
195.08113	2.8
201.09126	4.0
203.02304	3.5
203.08533	1.7
205.06474	5.4
205.10170	10.4
206.07227	2.6
206.10545	1.6
207.08133	8.1
208.08847	1.9
209.05933	2.9
209.09595	4.1
210.06662	1.5
211.07472	3.4
215.08559	2.6
218.07274	5.3
219.08044	2.7
219.10023	3.0
221.05968	6.5
221.09514	2.7
222.06752	10.2
222.10338	3.5
223.07492	3.7
224.08324	7.4
225.09027	2.5
232.08812	2.0
233.05907	3.9
233.09650	18.0
234.06808	3.4
234.10329	4.8
235.07521	9.0
236.08281	3.3
237.05446	2.7
237.09116	16.0
237.12544	1.5
239.06943	3.7
239.10579	4.2
240.07762	1.9
241.08665	2.4
245.03932	2.6
247.07564	2.9
249.05466	2.0
249.09138	4.2
250.06288	10.9
250.09819	8.4
251.07043	4.9
251.10619	3.0
252.07747	5.1
253.08549	3.2
261.09167	11.1
262.09772	3.1
263.07037	5.5
264.07825	5.4
265.08582	38.3
265.12219	9.4
266.09137	4.0
266.12341	2.0
267.10138	11.9
269.08069	9.1
277.08606	3.3
278.09421	11.6
279.10104	5.5
281.08142	2.3
282.08862	4.0
283.09708	1.8
283.13235	3.4
284.10452	8.1
287.05536	19.0
288.05823	2.8
293.11713	30.5
294.12299	4.8
295.09756	2.1
297.11282	31.7
298.11493	2.7
299.12802	23.8
302.05908	2.0
310.11984	3.2
311.09100	3.6
311.12775	62.7
312.13138	5.4
325.00592	1.9
325.14328	17.5
326.14893	2.4
343.08191	4.4
343.11844	5.6
343.15381	59.9
343.30548	2.4
344.15643	6.3
361.02289	21.3
362.02823	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58112	0.3
53.03943	2.2
55.01868	0.7
55.05510	1.7
55.14188	0.3
57.03448	1.9
57.07071	0.3
61.02919	0.6
65.03943	4.5
67.05507	3.0
69.03431	5.8
69.07069	0.8
69.43360	1.3
69.43783	2.0
70.06581	1.1
71.04992	0.7
72.08165	0.4
73.02893	0.8
73.56277	0.3
79.05476	1.1
81.03420	15.4
81.07066	2.2
82.04196	1.9
83.08616	1.2
84.04513	0.5
85.02908	8.6
86.09689	0.7
89.03373	0.3
91.05476	0.7
93.03413	1.0
93.07021	1.0
95.04972	4.3
95.08604	0.8
97.02905	2.9
97.06553	1.5
99.04437	1.4
99.08118	0.4
100.11259	10.4
101.02385	0.5
103.05467	0.5
105.07036	0.7
107.04983	0.6
107.08604	1.0
108.02114	0.8
109.02195	0.5
109.02890	5.3
109.10157	1.1
110.03685	2.3
111.04443	1.7
116.01656	0.8
117.06998	0.4
119.08598	0.4
121.02831	0.5
121.10143	0.8
123.04405	1.7
123.11768	0.5
125.02342	0.8
125.05977	1.4
127.03933	2.9
130.04984	0.5
131.04936	0.4
133.06462	0.4
133.10124	0.8
135.04451	0.3
135.11705	0.6
137.02345	0.9
137.05998	2.5
138.03134	1.2
140.04692	11.1
142.02629	1.4
145.04909	0.6
145.10100	0.6
149.05978	0.7
151.07571	0.9
153.05479	0.5
154.02757	0.3
155.07037	3.6
161.06033	1.6
162.02197	0.9
163.03923	3.2
163.07558	1.2
163.11223	2.0
163.75972	0.3
166.02652	0.4
170.02658	0.3
171.06534	5.3
173.09537	0.3
175.07555	1.2
175.14812	0.6
175.36943	0.3
181.04964	100.0
182.05296	2.0
184.03621	0.4
199.06036	3.5
209.16501	2.1
227.17465	0.9
239.07076	0.4
245.05878	0.5
265.08752	0.5
276.94684	0.3
282.05289	0.6
293.11661	0.9
297.11313	1.2
299.12805	1.0
311.09348	0.5
311.12848	1.2
325.09177	13.0
325.14703	0.5
343.04373	0.9
343.10901	1.9
343.15741	1.3
343.30698	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	19.2
55.05515	33.3
57.03427	17.8
67.05515	64.9
69.03420	13.0
69.07075	33.2
70.20264	8.6
70.20657	11.1
71.04991	11.6
75.75602	4.7
79.05499	32.2
81.03423	13.1
81.07063	58.7
82.07398	7.9
83.04990	20.9
83.08630	16.2
85.02901	5.6
85.06562	13.7
91.05492	45.4
93.07049	44.2
95.04993	24.8
95.08611	16.2
97.06547	100.0
97.10150	18.2
98.10536	6.5
99.08112	4.0
105.07039	56.9
107.04967	11.3
107.08614	48.1
109.06541	18.3
109.10162	74.7
110.10531	3.8
111.04467	6.1
111.08113	21.0
113.06065	6.3
117.06975	8.1
118.47768	3.8
119.08589	15.3
119.72749	3.5
121.10140	8.0
123.08094	21.6
123.11728	15.0
124.08411	7.9
125.09609	10.9
126.09975	10.0
127.07592	4.2
131.08565	13.2
133.06477	6.1
133.10147	85.2
135.08046	7.4
137.05983	5.0
137.09637	7.5
140.11377	3.7
147.07985	6.2
147.11719	4.5
149.09590	5.5
151.11195	48.2
163.11206	6.1
169.12280	9.8
177.09103	4.0
179.10553	5.2
187.11284	4.2
189.11217	16.4
190.11667	10.9
215.12781	5.1
233.15363	5.1
261.18549	4.8
271.17035	6.7
274.18884	5.8
289.17914	23.1
292.19931	26.7
307.19098	12.2
310.20901	8.5
343.08182	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	343.1024
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03951	2.1
55.01859	1.0
55.05501	0.7
56.96571	0.5
57.03422	1.0
59.98153	0.3
60.87333	0.3
65.03942	4.0
67.05505	1.9
69.03083	0.4
69.03433	7.0
69.07063	0.9
70.06589	0.9
71.04993	1.6
71.59367	0.4
73.02909	0.7
75.37863	0.3
79.05489	1.3
81.03420	13.3
81.07063	2.1
82.04185	1.5
83.04977	0.4
84.04502	0.9
85.02423	0.6
85.02905	8.1
91.05456	0.6
93.03401	1.0
93.07024	1.1
95.04969	3.8
95.08595	0.9
97.02907	3.0
97.06535	1.8
97.07061	0.3
99.04456	2.1
99.08075	0.5
100.11268	3.4
103.05457	0.3
105.04485	0.4
105.07021	1.1
107.04945	0.8
107.08594	1.0
108.02088	1.0
109.02889	5.6
109.06525	0.5
109.10146	0.7
110.03674	2.5
111.04424	1.2
116.01717	0.5
117.03454	0.3
119.08575	1.0
121.02900	0.5
121.06467	0.4
123.00799	0.4
123.04453	2.3
123.11710	0.5
125.02353	0.8
125.05987	1.5
127.03934	2.3
130.05017	0.5
131.04930	0.4
133.06522	0.4
133.10083	0.6
135.04460	1.0
135.11685	1.1
137.02327	0.6
137.05977	2.6
138.03128	1.5
140.04689	11.7
142.02631	1.4
142.03418	0.4
145.02846	0.5
145.10184	0.6
146.03609	0.6
147.08144	0.5
149.06041	0.5
149.13196	0.4
151.07538	0.6
153.05434	0.9
155.07027	4.6
160.05208	0.3
161.05980	2.1
161.13240	0.5
162.02223	1.0
163.03906	3.1
163.07533	0.8
163.11201	1.4
166.54280	0.4
166.92708	0.3
170.02666	0.7
171.06529	4.8
173.08081	0.4
175.07518	1.6
175.14824	0.9
177.09088	0.4
181.04964	100.0
182.05334	2.8
184.03580	0.4
193.16011	0.4
199.06024	3.4
205.06618	0.4
217.15852	0.5
223.07495	0.5
237.09360	0.3
246.14957	0.4
252.07518	0.3
252.58145	0.3
253.08612	0.4
265.08673	1.0
269.08337	0.3
293.11722	0.5
297.11270	1.3
297.14444	0.3
299.12885	1.4
306.74551	0.3
310.11923	0.5
311.12714	1.1
325.09183	13.9
326.09457	0.7
342.77148	0.3
343.10974	1.6
343.15549	1.9
343.30713	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85284	1.5
53.03949	2.5
55.01879	8.6
55.05297	1.8
55.05512	20.9
56.96563	3.0
57.03437	13.9
57.07053	2.1
59.05001	3.9
60.49444	1.5
61.02913	1.8
67.05508	19.3
69.03431	5.6
69.07070	8.6
69.49149	3.3
69.49561	10.2
70.02949	7.7
71.04987	3.6
79.05495	18.6
79.86246	1.6
80.74341	1.4
81.03435	9.7
81.07056	34.7
83.01345	9.6
83.04984	22.2
83.08624	19.4
85.02908	6.9
85.06526	2.5
91.05453	12.2
93.07040	25.9
95.04986	7.4
95.08619	9.7
97.02892	3.7
97.06557	7.0
97.10197	8.4
98.97600	2.1
99.04447	4.3
99.08084	4.7
105.07040	10.7
107.04964	9.5
107.08601	16.8
109.02862	2.3
109.06526	8.4
109.10139	8.4
111.04437	20.3
111.08078	8.0
116.98604	1.6
117.07037	8.6
119.08579	15.9
121.06524	5.7
121.10144	11.3
123.08095	10.7
125.06023	2.6
125.09645	5.0
127.03876	1.6
129.07008	2.7
131.04904	2.6
131.08569	6.6
133.06575	1.8
133.10135	3.8
135.08040	5.6
135.11719	13.8
137.05992	7.1
137.09590	3.2
138.06296	5.3
139.07599	2.4
145.06532	2.2
145.10123	17.8
147.08070	2.4
147.11722	2.2
149.06053	2.2
149.09642	3.6
151.07526	2.0
153.12761	12.4
155.08612	3.8
159.08084	4.4
161.06053	1.9
162.06454	2.1
163.07597	3.4
163.11182	49.4
165.86642	1.5
170.11804	2.1
173.09592	8.3
175.07443	3.4
176.07848	1.7
181.04985	7.4
181.12231	19.0
188.07822	1.9
189.11255	4.6
191.10651	24.3
209.11736	69.9
210.12218	2.6
220.08347	2.0
227.12791	100.0
228.13173	4.5
261.18344	2.2
271.16977	3.9
282.11914	2.0
285.10175	1.7
289.17966	25.5
307.19077	41.3
310.11426	2.2
342.13925	3.1
342.17664	2.2
343.11661	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	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03135	1.0
53.03956	2.2
53.93277	1.1
55.01878	2.1
55.05516	7.0
57.03441	2.8
57.07077	10.9
57.50178	1.0
61.02924	1.9
61.59369	1.1
65.03938	4.4
67.05511	3.2
68.36709	1.0
69.03428	10.2
69.07041	1.4
69.56670	6.6
69.57102	2.5
70.06600	12.0
71.04992	2.1
73.02928	1.5
75.48292	1.0
79.05518	2.7
81.03424	11.0
81.07059	3.5
82.04227	1.8
83.08611	4.3
84.04510	1.5
84.08122	1.3
85.02912	25.1
85.69990	1.0
86.09692	2.1
89.06037	28.9
91.03949	1.2
93.03378	1.1
93.07076	1.4
95.04989	3.9
97.02881	6.7
97.06541	2.1
99.04453	1.9
99.86921	1.3
101.09666	12.9
105.07035	2.2
107.07074	33.9
107.08607	2.5
109.02882	4.8
109.06567	1.3
110.03703	2.0
111.04472	1.8
114.10341	1.0
116.98664	1.2
119.08601	1.8
121.10201	1.3
123.04398	1.5
123.08092	1.2
125.05987	2.0
127.03918	3.5
129.07002	1.2
131.04955	1.4
133.06503	1.6
133.10170	1.4
134.20265	1.0
135.04491	1.5
137.02368	4.5
137.05991	5.1
138.06361	1.6
140.04720	6.6
145.04980	2.2
153.05457	1.8
155.07066	3.4
163.03943	4.3
163.07541	1.5
163.13307	100.0
164.13724	1.7
167.07063	1.5
171.06572	4.0
175.07538	1.8
180.06537	9.2
181.04974	78.4
183.15007	2.8
197.04390	1.4
199.06006	2.5
206.08954	1.3
211.14447	2.8
222.06732	1.2
242.38702	1.1
252.09407	1.6
268.36295	1.1
325.08838	7.7
342.06104	3.7
342.14423	6.3
343.04419	2.0
343.11469	3.6
343.17355	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	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96538	1.6
57.03439	7.8
58.77396	1.5
61.02898	2.5
61.16547	1.6
63.34085	1.6
69.03426	4.6
71.04991	3.5
71.08624	2.7
71.57716	2.0
73.02904	1.5
81.03412	4.4
81.07055	3.4
85.02908	20.0
85.06516	1.9
91.05785	2.9
95.04996	1.9
97.02874	6.0
98.41248	1.7
99.04415	2.1
99.08105	15.1
109.02887	2.6
109.06512	2.8
116.98531	1.8
117.09132	100.0
118.09414	2.0
123.04409	2.8
127.03904	4.0
127.07577	4.2
132.04440	16.4
137.02338	2.7
145.04945	3.8
148.03886	1.8
163.09659	17.4
180.06502	3.3
180.59277	1.6
181.04956	2.9
198.41133	1.6
251.34131	1.5
325.34448	1.8
342.11517	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	342.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56391	0.5
56.96564	0.5
62.06098	0.6
69.03429	0.9
70.06570	0.9
70.13905	1.2
70.14302	1.5
71.23462	0.5
81.03438	0.7
81.07033	2.1
85.02940	2.5
87.04475	0.6
95.04950	1.5
97.02885	1.3
97.06509	0.6
98.20818	0.8
99.08093	2.9
116.98626	1.0
117.09110	2.0
123.04442	3.6
127.03940	1.2
132.04457	7.2
137.02299	0.9
137.05980	0.6
139.03836	0.8
148.03922	1.5
155.03366	0.6
163.09651	1.7
165.91905	0.5
180.06323	100.0
181.06683	1.3
185.04201	1.1
191.23897	0.5
198.07425	0.8
213.54845	0.6
219.01744	1.1
230.00963	0.6
237.02791	1.0
254.56482	0.5
342.11624	38.3
343.11969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31923	0.7
53.50972	0.8
55.01866	1.7
55.05528	1.3
56.96564	1.4
57.03441	2.7
58.06597	1.0
61.02928	2.4
67.05500	1.1
69.03427	7.7
69.07066	2.2
70.06595	5.1
71.05006	2.0
71.56554	1.0
71.56889	1.0
73.02920	2.6
78.04339	0.9
78.65045	0.8
79.05502	2.0
81.03422	3.2
81.07079	2.9
83.04994	1.9
84.04508	1.6
84.08142	1.7
85.02907	13.9
86.09710	4.6
87.04431	0.9
87.14231	0.9
88.04002	0.8
91.03960	1.7
91.05442	1.6
93.07062	2.1
95.04971	1.9
96.04478	1.3
97.02894	6.9
98.97566	0.8
99.04459	0.8
100.55318	0.9
102.20490	0.7
104.50100	0.8
105.07020	4.1
107.07343	3.3
107.08620	6.0
109.02881	1.9
109.06532	1.0
111.04459	1.6
111.05544	0.8
116.07082	1.7
116.98636	1.5
117.07018	3.4
119.07310	1.1
119.08606	3.5
120.08131	3.3
121.10154	1.5
122.09673	35.5
123.04404	1.6
125.06003	1.5
127.03936	3.8
128.98573	1.0
132.08104	1.2
133.06516	1.1
134.09654	21.8
134.10652	1.3
135.11649	1.4
137.02345	13.1
137.05956	3.8
138.05478	7.3
138.06363	1.2
139.03932	1.7
139.04987	1.1
142.03241	1.4
145.04999	3.3
145.06458	1.0
145.10147	1.9
147.06770	5.4
147.07858	0.9
149.01204	1.8
155.08153	6.1
156.03600	0.9
157.06528	0.9
161.05870	1.4
162.09131	11.4
163.03831	0.9
163.11186	11.3
165.06660	1.6
175.03986	1.9
180.10199	100.0
181.04996	4.7
181.08545	0.9
181.10518	3.9
181.12245	2.1
183.07655	4.2
193.06107	2.2
197.04521	1.5
211.07123	4.1
233.82536	0.8
243.08917	0.9
243.62294	0.8
252.09338	4.2
296.16040	2.0
310.07074	1.2
324.11365	4.3
324.61649	0.9
329.27695	1.0
333.12091	3.4
333.62387	1.3
342.11380	1.8
342.18866	1.0
343.07874	1.0
343.13693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71319	2.0
53.03926	2.8
55.05265	3.7
55.05511	49.5
57.03445	2.5
57.07077	48.0
59.05001	2.8
59.99385	2.2
65.63850	2.3
67.05507	17.6
67.70103	2.2
69.07069	100.0
69.94299	2.8
70.07415	3.4
70.23672	4.6
70.24065	4.8
71.08633	36.7
78.04587	2.3
79.05495	7.7
81.07059	42.0
83.04989	4.9
83.08617	82.4
85.06536	9.4
85.10181	20.8
87.77528	2.0
87.87560	2.2
91.05481	3.4
93.07047	16.9
95.08607	48.0
97.06534	12.4
97.10169	57.3
100.11678	2.5
105.07026	11.1
107.08587	24.0
109.06481	3.0
109.10162	30.9
111.08071	5.3
111.11722	34.7
112.52293	2.0
113.09632	3.0
113.13274	2.9
115.07568	9.9
118.41252	2.1
119.08587	8.0
121.10140	17.9
123.08061	4.6
123.11713	20.3
125.09615	5.1
125.13261	17.2
127.07531	6.2
128.12526	2.0
129.09099	7.3
133.10136	14.0
135.11690	13.9
137.05971	2.3
137.09605	7.4
137.13232	6.4
139.11162	4.4
139.14778	6.0
141.09132	3.6
143.10660	3.7
147.11671	14.2
149.13225	7.2
149.46179	2.2
151.11189	11.1
151.14848	3.5
153.12694	4.3
153.16383	4.4
155.10651	6.0
157.12247	4.7
161.13251	16.5
163.14818	6.5
165.12743	14.8
165.30124	2.1
167.14313	3.8
169.12276	5.6
171.13785	4.1
173.67116	2.4
175.14902	6.7
179.14330	9.8
181.15996	4.2
183.13849	6.2
185.15326	2.9
189.16428	6.2
191.17856	2.6
193.15930	6.8
197.15369	7.9
203.17984	4.0
205.19498	4.0
207.17436	5.3
211.16905	3.2
221.19043	2.9
223.20604	3.6
231.21213	3.6
235.20749	3.1
241.21603	2.9
263.27417	5.4
287.27322	11.6
305.28467	12.6
319.97977	2.4
341.26266	4.6
341.30084	15.8
342.37341	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01860	2.7
55.05502	0.8
56.05045	0.6
56.96562	1.7
57.03434	3.5
61.02919	3.4
62.06070	0.9
67.05486	0.9
69.03431	10.7
69.07059	1.2
70.06596	7.0
70.77261	1.1
70.77637	1.2
71.04986	2.1
72.04497	0.6
72.08152	1.6
73.02921	3.2
77.95559	0.5
79.05502	0.6
81.03423	4.5
81.07052	0.7
84.04489	1.2
84.08140	1.8
85.02910	34.2
86.03238	0.8
87.04476	0.8
90.05542	1.2
91.03930	0.7
95.06073	0.8
97.02901	11.6
98.97580	2.7
99.04454	2.5
99.08100	0.9
101.02362	1.4
102.05531	0.8
107.04945	1.2
109.02866	3.9
110.07172	2.3
111.04482	1.0
115.03954	1.2
115.08698	0.8
116.07109	2.1
116.98618	2.4
117.09147	1.5
119.04885	0.7
122.06006	0.7
123.04450	5.8
127.03928	19.9
128.98616	1.2
131.01889	0.9
134.99631	1.7
137.02353	7.9
137.05998	1.0
139.03896	1.4
140.07048	1.0
143.01923	0.6
144.06508	0.6
145.04974	14.7
146.99666	1.7
148.03903	3.9
151.03943	0.8
158.09230	0.8
159.03256	0.8
161.01271	1.1
161.02890	1.0
162.05464	0.9
162.07646	1.3
162.08943	0.7
163.03891	1.4
163.06049	3.4
167.06993	1.0
168.06528	1.4
170.99715	1.0
172.95242	1.8
173.02908	0.9
175.11980	1.5
177.00671	1.4
180.06331	100.0
180.08846	3.4
181.04846	1.2
181.06371	2.3
185.04362	1.2
189.00714	1.6
190.96300	1.1
191.03848	0.6
197.01254	0.7
199.99721	0.8
201.00699	1.3
206.07111	0.7
219.01768	1.8
221.09036	0.9
237.02914	2.0
244.97786	0.6
246.05426	0.8
252.05597	4.4
252.55942	1.3
257.03119	0.8
261.02994	1.3
261.06271	4.3
261.56430	0.7
279.03867	0.9
283.12701	0.7
298.14111	0.6
324.10706	1.1
341.05682	0.6
342.11633	52.5
342.17435	4.9
342.39182	0.6
343.10593	1.8
359.06503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01863	3.0
55.05513	15.9
56.96556	1.8
57.03440	2.5
57.07066	5.1
58.12725	1.4
59.04991	2.2
67.05507	22.3
69.03429	5.5
69.07069	23.8
70.06584	3.4
71.04997	6.8
72.08140	1.5
76.02226	1.5
77.65536	1.5
79.05495	13.3
81.03408	2.4
81.07063	100.0
82.07378	2.9
83.04966	5.9
83.08623	7.1
83.64405	1.5
84.04515	10.0
85.02898	2.4
85.04839	2.2
85.06541	9.4
91.05462	8.3
93.07050	31.0
95.04970	6.3
95.08610	42.4
96.08981	1.4
97.06528	4.3
97.10161	4.2
97.24326	1.2
98.09718	2.1
99.08100	6.8
101.06010	2.0
105.07030	15.1
107.04945	2.1
107.08608	22.3
108.08099	2.1
109.02914	1.7
109.06490	6.8
109.10160	35.3
111.08080	11.7
114.05534	2.7
115.05838	1.5
117.07059	1.6
119.08575	11.0
121.06498	2.0
121.10154	24.8
122.09621	2.2
123.08046	3.0
123.11714	56.0
125.09637	4.1
127.04035	1.4
127.07573	1.7
127.11253	1.8
130.05000	9.5
131.05382	2.1
131.08580	2.9
133.10144	6.5
135.11688	15.8
137.05971	14.6
137.09622	2.1
137.13266	7.7
139.11209	5.9
141.12721	2.8
142.05008	5.2
145.02869	2.1
145.10135	4.2
147.11696	11.0
149.13251	5.1
151.11186	2.8
153.12752	8.4
156.06625	2.3
156.08435	4.7
157.08794	3.9
158.08006	1.8
159.11681	4.1
161.06036	1.5
161.13263	4.1
163.14909	1.3
165.12769	4.3
166.06917	2.1
167.07175	3.1
169.06845	1.4
169.12202	3.5
171.11649	1.5
173.13338	2.2
175.07603	3.0
175.11296	1.3
175.14796	2.2
177.05469	3.7
177.16273	1.5
178.05882	1.8
181.04912	2.1
183.13814	1.5
184.09773	2.8
187.07620	5.1
187.13316	6.0
188.63033	1.7
189.09067	2.2
189.16426	2.1
191.07138	2.0
194.46654	1.3
197.08240	1.4
199.11400	1.4
199.14836	2.0
205.08658	2.0
210.11263	3.7
211.11632	4.1
215.17834	1.6
217.08705	2.9
219.08064	1.9
227.07222	1.4
231.08087	1.7
237.12218	1.8
238.12718	3.9
248.08330	2.1
253.18071	1.7
263.10724	1.8
265.08533	2.6
269.22739	2.5
270.08896	1.4
271.09677	3.8
275.23663	2.8
279.99649	1.4
287.23788	6.5
291.10229	4.7
293.24704	2.6
296.11203	2.1
300.52887	1.6
305.24753	26.6
305.86545	1.3
309.11258	3.1
311.12860	1.7
313.14142	19.8
314.13879	2.4
323.12802	2.3
323.25830	12.4
341.10498	1.9
341.13745	20.3
341.26611	5.0
342.13177	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.9
55.05516	47.5
56.96564	7.0
57.03429	7.7
57.07071	13.7
65.03942	4.3
67.05505	37.3
69.03436	11.6
69.07071	40.4
70.06583	15.3
70.70943	13.5
71.04996	6.8
73.02923	5.4
79.05514	21.1
81.03426	8.0
81.07064	100.0
82.06584	4.8
82.07399	4.6
83.04984	10.7
83.08636	25.0
83.09067	3.8
84.04515	6.4
84.08132	5.9
85.02911	5.9
86.09692	5.6
91.05479	15.7
93.07056	31.0
95.04967	7.9
95.08612	70.2
97.02896	4.9
97.06528	10.9
98.09708	5.6
99.09144	4.1
100.07655	7.9
100.11259	97.6
101.11595	5.5
105.07044	26.3
107.04942	7.0
107.08598	34.7
109.02869	6.7
109.06510	8.4
109.10154	60.0
111.04459	13.6
111.08074	6.2
111.11691	6.4
115.05492	6.1
115.90644	3.9
119.08602	18.8
121.06522	5.5
121.10149	29.9
122.03667	6.0
123.11713	36.0
126.09102	10.2
128.07074	8.4
129.06995	6.8
131.08577	4.7
133.06493	8.7
133.10110	20.1
135.04414	5.6
135.08101	4.6
135.11674	16.9
137.05991	83.0
137.13248	27.2
141.11496	8.4
145.10127	6.8
147.04427	12.5
147.11719	10.5
149.13290	18.0
151.07524	12.9
151.11206	5.9
153.05484	12.6
153.12756	6.5
157.10239	4.8
159.08119	6.3
161.05988	15.3
161.09705	8.8
161.13315	4.9
163.03938	6.3
163.14815	6.2
165.06946	5.5
165.12775	6.3
167.07036	10.2
167.11972	4.8
174.92177	4.6
175.07561	18.6
177.05463	11.9
177.09154	4.3
177.12819	5.6
177.16487	6.2
178.07806	5.6
179.10620	6.3
181.12160	5.6
182.15421	79.3
183.15764	12.0
187.07561	26.3
189.09140	8.3
199.18074	12.2
203.08565	5.4
204.66490	9.8
209.16579	8.9
210.14911	80.1
210.16731	8.1
211.15237	12.8
215.51697	4.3
217.08524	7.9
218.66232	9.4
219.08034	7.6
220.08821	4.7
222.06770	11.3
231.08028	5.6
234.06708	5.4
247.07672	5.5
248.08278	8.9
249.08977	10.5
250.06268	10.7
259.24139	5.2
265.08670	39.3
266.09210	7.4
268.21506	38.7
268.71619	13.2
269.22610	8.8
276.07813	5.5
276.72803	5.6
279.10004	6.9
281.11713	12.6
291.10162	10.6
305.24893	23.1
309.11230	64.2
310.11761	5.8
311.12814	13.1
323.09225	6.1
323.12665	8.8
323.25690	6.4
326.27985	23.1
331.74649	13.9
341.06638	8.4
341.10168	6.3
341.13754	61.8
341.21091	7.9
342.14218	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	341.2326
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
53.03936	4.3
55.01870	12.0
55.05259	5.0
55.05515	74.4
57.03442	7.2
65.00825	3.2
67.05509	41.3
69.03419	13.1
69.07069	16.8
69.54860	19.8
69.55285	6.9
71.05012	16.3
79.05507	37.5
81.03409	12.9
81.07059	71.4
83.04985	18.7
83.08621	45.0
85.06539	4.9
86.27037	3.2
91.05476	23.7
93.07059	25.0
95.04984	17.1
95.08604	14.7
97.06551	24.2
97.10178	87.3
98.21532	4.2
99.08121	5.4
105.07031	21.4
107.04919	4.8
107.08605	42.7
109.06526	11.2
109.10155	24.9
111.04457	18.1
111.08083	12.9
117.07052	8.5
119.08617	19.7
120.11258	3.7
121.06490	8.9
121.10158	9.5
123.08083	100.0
123.11710	3.5
125.08757	5.1
125.09645	75.9
129.07039	4.0
131.08540	6.6
133.06487	3.8
133.10147	22.4
135.08044	9.4
135.11674	5.0
137.05994	7.6
137.09628	20.9
139.11192	12.1
143.10680	4.5
145.10143	9.1
147.08047	6.7
151.11177	16.2
153.09106	11.9
158.23917	3.5
159.11768	4.0
161.09514	4.2
161.33472	3.2
163.11205	8.5
165.09116	6.5
169.12373	4.6
171.10139	6.4
181.12297	6.2
189.11235	93.8
189.12935	5.0
191.10687	6.8
192.67601	3.3
207.13770	4.4
223.13333	5.3
227.12726	7.7
237.14835	3.9
255.17424	7.0
259.95248	3.1
273.18515	24.4
279.10352	3.4
289.17981	9.9
291.19565	98.9
292.20221	4.5
309.20770	22.5
323.22147	9.6
336.68491	3.4
341.13916	4.1
341.28500	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	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.0
55.01863	8.5
55.05505	33.5
57.03429	9.0
67.05510	81.9
69.03445	11.2
69.07072	22.3
71.04992	30.2
71.59642	6.5
71.60011	9.1
79.05500	53.1
81.07062	53.6
83.01319	15.8
83.04990	8.5
83.08618	16.6
91.05501	71.9
93.07055	72.9
95.04972	16.8
95.08605	57.0
97.06534	19.8
105.07028	30.2
107.08589	25.0
109.06516	9.4
109.10170	81.3
110.48412	6.3
111.04465	6.5
111.08076	38.0
117.06944	9.1
119.08583	32.3
121.06493	15.9
121.10133	9.5
123.08039	7.5
123.11712	10.4
131.08594	14.7
133.10156	54.5
135.11746	11.4
137.05923	9.0
137.09630	42.9
139.07539	66.9
143.08551	12.4
145.10117	11.7
151.07538	11.1
151.11182	26.2
155.10687	29.1
157.10049	8.9
161.09650	17.2
165.09183	14.5
169.12312	9.5
171.11795	13.5
173.11751	100.0
179.10692	25.3
187.13303	27.3
211.61617	6.6
217.12238	9.0
263.20142	10.9
273.18454	33.1
291.19632	92.3
309.20624	41.1
341.20905	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	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.0
55.01863	8.5
55.05505	33.5
57.03429	9.0
67.05510	81.9
69.03445	11.2
69.07072	22.3
71.04992	30.2
71.59642	6.5
71.60011	9.1
79.05500	53.1
81.07062	53.6
83.01319	15.8
83.04990	8.5
83.08618	16.6
91.05501	71.9
93.07055	72.9
95.04972	16.8
95.08605	57.0
97.06534	19.8
105.07028	30.2
107.08589	25.0
109.06516	9.4
109.10170	81.3
110.48412	6.3
111.04465	6.5
111.08076	38.0
117.06944	9.1
119.08583	32.3
121.06493	15.9
121.10133	9.5
123.08039	7.5
123.11712	10.4
131.08594	14.7
133.10156	54.5
135.11746	11.4
137.05923	9.0
137.09630	42.9
139.07539	66.9
143.08551	12.4
145.10117	11.7
151.07538	11.1
151.11182	26.2
155.10687	29.1
157.10049	8.9
161.09650	17.2
165.09183	14.5
169.12312	9.5
171.11795	13.5
173.11751	100.0
179.10692	25.3
187.13303	27.3
211.61617	6.6
217.12238	9.0
263.20142	10.9
273.18454	33.1
291.19632	92.3
309.20624	41.1
341.20905	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	341.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01860	10.1
55.05503	15.5
57.07070	5.9
61.01137	9.5
67.05507	39.4
69.03430	2.6
69.07060	28.5
69.92928	16.2
71.04985	5.9
75.02720	2.7
76.30355	3.2
79.05499	27.7
81.03425	5.7
81.07054	76.5
83.04987	7.3
83.08615	10.1
85.10174	3.2
87.02682	8.7
91.05467	20.7
92.08589	3.0
93.07038	24.3
95.04964	15.1
95.08613	34.3
97.06550	5.5
97.10169	3.4
99.08084	3.1
104.21056	3.2
105.07024	34.0
107.04945	6.8
107.08579	19.7
109.06509	9.2
109.10146	12.1
117.07051	5.2
119.08586	24.1
121.06471	6.1
121.10149	16.4
121.72449	2.7
123.08059	17.2
123.11686	7.4
129.07321	5.4
131.08556	9.4
133.10147	17.3
135.08031	6.1
135.11682	8.1
137.09622	9.2
145.06525	3.4
145.10089	12.9
147.11676	17.8
149.09605	9.2
151.11191	5.6
155.62204	2.9
159.11649	7.0
161.13272	4.4
163.11133	4.5
165.12743	6.0
173.13255	4.8
173.20731	3.1
177.97092	2.7
207.13850	3.2
223.13228	3.2
239.18025	4.1
247.20569	3.5
257.19006	9.3
275.20053	100.0
293.21133	29.5
323.20413	42.8
341.21445	27.7
341.30453	4.2
342.37042	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	341.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05529	0.3
56.96561	0.3
57.03449	0.3
57.07082	0.2
59.04980	0.3
61.02925	0.3
67.05512	0.3
69.03438	1.6
69.07071	0.3
70.06587	0.5
70.23827	1.1
71.04971	0.3
72.99352	0.2
73.02909	0.3
81.03419	0.7
85.02903	2.4
87.04461	0.3
89.03927	0.3
91.05837	0.4
95.04999	0.4
97.02876	1.3
98.97594	0.5
99.04452	0.5
103.05470	0.2
105.03418	0.4
105.04520	0.2
107.04951	0.4
109.02886	0.7
109.10122	0.3
111.04465	0.3
112.25162	0.2
115.05488	0.2
116.98624	0.4
119.04988	0.4
120.05228	0.3
121.06519	0.3
123.04435	7.8
123.05328	0.4
127.03933	0.5
132.04442	0.7
133.02856	6.9
135.04424	1.3
137.02347	0.2
137.05981	0.6
139.03908	1.4
145.04950	0.4
147.04416	1.8
148.04724	0.5
149.04991	0.3
151.03897	3.8
161.05960	0.3
179.03398	100.0
180.03706	1.5
181.04962	0.4
187.07545	0.3
196.12694	0.2
202.71709	0.3
269.04440	0.3
287.05499	0.3
297.95215	0.2
305.06378	0.3
341.08630	2.3
341.12149	0.3
359.02859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60655	6.8
55.05517	28.6
56.05868	6.5
57.03417	21.0
57.07077	10.8
58.11260	6.5
65.84873	5.4
67.05508	47.0
69.07071	31.6
70.09467	23.6
70.34902	5.4
72.30875	5.2
78.18204	5.2
79.05482	17.1
81.07056	49.3
82.07368	9.1
83.04971	9.5
83.08604	15.8
85.06527	7.6
91.05457	27.5
93.07042	26.5
94.07361	6.6
95.08589	22.9
96.08949	6.5
97.06560	8.6
97.10188	8.0
105.07022	31.5
107.08635	34.6
109.06487	7.3
109.10155	51.4
121.10106	11.4
123.11716	20.1
131.08569	9.0
133.10130	87.5
135.11685	8.1
149.09663	8.5
151.11182	100.0
161.09631	5.5
177.09180	7.4
179.10660	15.4
180.05571	5.0
183.13795	52.2
220.52936	5.8
273.18549	11.1
278.39951	6.1
280.52826	6.8
291.19312	9.1
340.29257	64.4
341.21054	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	341.087
Annotation	Esculin
Peak:m/z	Relative Intensity
55.01872	0.7
55.05509	0.3
57.03418	0.4
57.78659	0.3
67.05502	0.4
68.99787	0.5
69.03410	0.9
69.07074	0.3
70.06593	0.5
71.04971	0.3
71.59419	0.5
79.05442	0.3
79.22788	0.3
81.03410	1.7
85.02921	2.1
91.05438	0.8
95.04978	0.6
95.08611	0.5
97.02905	0.8
98.97591	0.7
105.03401	0.8
107.01287	1.0
107.04958	1.3
109.02851	0.9
111.04427	0.9
112.08721	0.3
113.05971	0.4
116.98640	0.6
119.04964	2.0
123.04401	1.4
123.33572	0.3
127.03899	0.6
131.04916	0.8
132.04419	0.8
133.02834	0.6
133.06480	0.3
135.04414	0.5
137.02365	0.6
137.05974	1.4
139.03899	4.3
147.04420	5.9
148.04776	0.5
149.04869	0.3
151.03894	2.0
153.01755	0.3
161.01108	0.5
161.02338	4.1
161.05965	0.7
162.05455	0.3
163.03917	1.0
165.05496	0.3
167.07002	1.2
175.07570	0.5
179.03394	100.0
180.03674	0.9
181.04965	1.0
183.06584	0.4
187.07613	0.4
201.05408	0.3
203.07016	0.4
219.01778	0.3
223.09038	0.6
237.02960	0.4
261.07654	0.3
269.04355	0.5
287.05579	1.0
291.10150	0.4
305.06528	0.8
323.11124	0.4
341.08398	1.9
341.12207	0.8
341.30518	0.5
359.02625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	7alpha-Methoxy-8-labdene-3beta,15-diol
Peak:m/z	Relative Intensity
51.96856	0.5
53.03940	1.2
55.01870	0.8
55.05512	15.2
57.03427	2.5
57.07078	9.1
59.04991	1.8
67.05508	8.1
68.74065	0.6
68.99783	0.6
69.07070	19.3
69.63300	4.2
71.04984	1.7
71.08629	3.8
77.59072	0.4
78.17097	0.6
79.05495	6.9
81.07059	9.4
82.81743	0.5
83.04970	2.6
83.08622	13.1
85.06564	3.0
85.10168	2.4
91.05474	3.6
93.07054	8.7
95.04978	2.5
95.08611	8.7
97.06536	8.1
97.10170	8.0
98.21478	1.1
105.07040	3.7
107.04957	1.0
107.08603	5.5
109.06517	5.8
109.10149	3.9
111.04459	5.9
111.07375	0.6
111.08090	8.4
111.11726	2.4
112.05254	1.3
113.06023	6.3
119.08595	2.0
121.06529	1.1
121.10126	3.2
123.08062	4.2
123.11723	1.1
125.05994	33.7
125.09638	7.0
131.08589	1.0
133.10159	0.7
135.08073	1.9
135.11697	3.0
137.09628	10.8
137.13248	0.9
139.07545	7.4
139.11176	3.0
145.10196	0.6
149.09651	1.7
149.13292	1.2
151.11182	1.9
153.09106	8.6
153.12711	1.0
161.09665	0.7
163.11176	1.1
165.12778	1.2
167.10684	7.5
177.12669	0.9
181.12268	4.8
195.13850	3.2
209.15388	2.0
223.16936	2.0
237.18533	1.1
247.24216	0.7
248.52455	0.6
251.20085	1.4
265.21637	0.9
303.26797	2.5
307.26334	0.9
321.27893	71.3
322.28201	2.6
339.28955	100.0
340.29260	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	339.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17643	0.5
53.03931	1.0
55.05512	25.0
57.03438	14.9
57.07078	11.4
62.62304	0.4
65.03929	0.4
67.05506	17.8
69.03398	0.4
69.07069	33.7
70.07388	0.6
70.90492	0.8
70.90834	0.6
71.04980	1.6
71.08632	6.5
71.09790	0.4
73.06540	0.6
76.87565	0.4
79.05501	7.7
81.07057	19.5
83.04987	0.8
83.08621	21.7
85.06535	0.8
85.10178	2.7
91.05467	1.0
93.07044	11.6
95.04937	0.9
95.08606	20.6
97.06515	3.7
97.10173	13.1
99.08061	0.8
105.25912	0.4
107.08601	6.6
109.10166	8.7
111.08096	2.2
111.11725	3.7
121.10142	10.5
123.11701	2.5
125.09629	1.4
125.13309	0.6
135.11679	7.8
137.13226	0.7
139.11166	1.7
139.49785	0.4
149.13264	3.5
151.14789	1.1
153.12747	1.0
163.14804	1.2
165.16425	1.0
167.14249	0.7
177.16359	0.8
191.17915	0.4
192.51624	0.4
203.65796	0.4
222.32283	0.4
224.42769	0.4
247.24252	2.4
265.25214	4.1
296.74982	0.4
339.28949	100.0
340.29492	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2895
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
50.92535	0.4
53.03941	1.1
54.51285	0.4
55.01877	0.8
55.05511	25.0
57.03437	14.7
57.07076	10.3
58.70014	0.5
65.03925	0.7
67.05505	18.0
69.07069	33.3
70.74372	1.3
71.04985	1.4
71.08631	6.1
73.06567	0.4
79.05498	8.0
81.07056	18.5
83.04969	0.9
83.08619	22.8
85.10190	2.7
91.05470	1.3
93.07040	10.1
95.04967	0.5
95.08607	20.7
95.89889	0.4
97.06518	3.6
97.10170	13.4
99.08087	0.6
99.75677	0.5
105.06993	0.5
107.08594	6.3
109.09448	0.8
109.10154	9.7
111.08092	2.4
111.11730	4.1
112.12075	0.4
121.10150	9.8
123.11719	2.7
125.09620	1.4
135.11708	7.0
137.13237	0.9
139.11183	1.4
149.13263	3.7
153.12704	0.5
163.14853	1.7
165.16357	0.9
177.16409	0.8
191.17908	0.5
247.24110	2.0
265.25253	3.2
339.28949	100.0
340.29303	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	339.1628
Annotation	Hapalindole G
Peak:m/z	Relative Intensity
50.07087	1.7
51.57820	1.4
51.76233	1.4
53.03940	2.4
55.01865	5.5
55.05518	23.3
57.03437	1.8
58.12045	1.6
61.01131	1.8
65.03929	2.0
67.05508	22.4
69.03417	3.1
69.07098	9.0
69.57841	11.8
71.04984	2.2
73.01105	2.8
79.05502	20.8
81.03409	2.8
81.07062	30.6
83.04963	4.0
83.08621	10.8
85.02940	1.9
87.02714	3.4
91.05486	10.7
92.23590	1.9
92.24187	1.6
93.07045	20.7
95.04955	5.6
95.08621	8.3
97.01165	1.8
97.06545	2.2
97.10184	13.4
105.07021	13.9
107.04936	2.7
107.08592	18.9
109.06514	4.3
109.10154	11.8
111.08070	3.5
113.00582	3.3
115.05426	1.9
116.98636	3.4
117.07024	7.6
119.08565	11.9
121.06493	1.8
121.10143	5.6
123.08070	4.2
125.00585	11.0
125.09637	19.5
126.98516	15.0
127.02149	12.1
129.07257	2.6
131.08556	3.0
133.06502	5.1
133.10132	5.0
134.07193	3.6
135.08041	12.0
135.11731	2.6
137.09615	2.8
139.02164	4.5
143.08572	2.7
144.90648	1.8
145.02881	2.6
145.10121	4.5
147.04373	2.1
147.08052	4.3
147.11690	4.7
147.59451	1.5
149.09659	3.3
151.11154	2.0
153.00066	6.6
153.09076	9.8
157.10185	2.9
159.08073	7.2
167.05263	4.8
171.10197	8.9
175.11252	2.3
177.05515	3.1
181.06815	3.0
189.11195	9.4
195.04767	100.0
207.08418	5.0
235.07909	2.4
247.07819	2.1
255.17249	2.1
271.16965	10.9
273.18481	7.8
274.97464	3.9
275.14703	6.0
283.16934	5.9
289.18015	10.6
291.19531	18.9
292.98630	2.4
293.15799	7.8
303.14142	3.9
321.15247	76.3
321.18784	4.9
339.19812	8.8
339.23294	2.5
339.28003	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.03948	0.3
53.49738	0.3
60.89446	0.3
61.06017	0.3
65.03935	1.1
70.06615	0.3
71.04866	0.8
76.98952	0.3
83.05022	0.3
85.02882	0.6
90.97035	0.3
91.05486	9.9
98.97585	0.5
100.26518	0.3
119.04950	23.3
120.05305	0.5
132.85185	0.3
139.03896	0.6
147.04416	100.0
148.04765	3.1
152.05847	0.3
155.03299	0.3
165.05534	0.6
177.00677	0.4
177.05487	1.2
203.03369	0.4
207.18829	0.4
211.18828	0.3
233.04442	0.5
249.07616	0.3
339.07330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21682	0.4
53.03334	0.5
53.03944	0.7
53.86131	0.5
55.01866	1.3
55.05512	1.3
55.25558	0.5
56.96550	1.4
60.04515	1.3
60.05640	2.7
61.02934	0.8
62.02341	0.5
62.13679	0.6
65.03942	0.5
67.05509	0.7
69.03426	2.0
69.07043	0.5
69.78854	1.8
69.79273	1.9
70.06596	61.5
71.01328	0.7
71.04993	1.3
71.06937	0.9
72.08168	3.4
73.02908	0.7
75.05608	0.8
81.03409	2.1
81.07040	1.1
82.06590	0.5
83.04975	2.2
84.08138	1.3
85.02920	3.6
86.06091	0.5
91.05495	0.7
95.04964	1.3
95.06098	1.8
97.02906	1.3
97.06544	0.9
98.97594	5.4
99.04453	0.9
107.04958	0.6
109.02875	1.3
111.04448	0.9
112.08734	16.6
114.05518	0.9
114.10297	1.6
115.08703	3.7
116.07095	6.1
116.98623	3.8
119.04932	3.2
122.06051	0.6
123.04438	3.1
125.05981	1.3
126.05540	0.6
127.03929	2.6
128.98613	1.0
129.11366	0.7
130.09747	1.3
132.04456	14.4
132.05405	0.9
133.04822	1.0
134.99660	1.8
137.02348	100.0
138.02682	1.2
139.03897	2.2
142.08636	2.4
143.07039	0.6
145.04953	0.7
146.36800	0.5
147.04407	11.6
148.03923	10.3
149.01228	0.7
149.04332	0.6
151.03983	0.6
158.09258	7.8
158.99657	2.3
160.09688	1.7
161.01286	0.5
163.03940	0.6
164.30957	0.6
167.00131	0.5
170.99652	0.7
175.11942	2.1
177.00693	4.4
177.05469	1.6
178.04976	0.6
185.04242	2.4
203.03404	0.6
205.05052	0.7
208.05048	0.6
213.93086	0.5
219.01674	3.6
222.00693	1.3
226.46397	0.6
234.99010	1.6
236.09184	0.6
237.02817	1.9
240.01895	1.0
241.59767	0.5
253.00243	0.6
264.01871	0.7
278.16122	0.5
279.03799	0.7
279.09708	1.8
280.08170	2.3
294.10925	1.2
305.38239	0.6
321.05624	1.2
321.08932	0.8
322.10306	3.4
339.01688	1.9
339.06625	5.6
339.13022	87.1
340.09842	1.2
340.13263	2.8
342.31470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.95622	0.3
55.01866	0.5
55.05500	0.4
56.96552	1.0
57.03440	0.5
60.04545	0.3
65.03939	0.8
65.26227	0.2
67.05495	0.5
68.99805	0.3
69.03424	0.8
70.01852	1.3
70.06587	1.2
71.04979	0.4
72.08157	0.3
77.03201	0.3
79.05478	0.3
81.03414	0.8
81.07052	0.6
83.04971	1.0
84.04517	0.8
84.96042	0.4
85.02915	2.2
85.04021	0.5
91.05483	8.0
93.03387	0.3
93.07051	0.3
95.01369	0.3
95.04987	0.6
95.08620	0.3
97.02891	0.7
98.97585	1.2
103.05463	0.3
107.04955	0.5
109.02859	0.3
109.06502	0.2
110.06029	0.3
110.97569	0.3
111.04440	0.8
114.10313	0.3
116.98617	0.9
119.04950	21.6
120.05295	0.8
120.08092	0.7
121.02878	0.6
123.04467	0.5
127.03908	0.4
128.98586	0.5
130.05003	0.4
131.04721	0.4
134.99646	0.6
135.04384	0.6
137.05963	0.5
137.93970	0.3
139.03915	0.3
143.72318	0.3
145.02812	0.8
145.04967	0.3
147.04417	100.0
148.04768	3.2
149.02420	0.5
149.05997	0.3
151.03914	0.3
153.01855	0.4
156.00725	0.4
157.01532	0.3
158.99741	0.4
163.03941	0.7
165.05492	0.8
171.01288	0.7
173.02457	0.3
175.00226	0.5
175.08730	0.6
177.00764	0.5
177.05466	2.4
181.04871	0.4
191.03406	0.6
195.02991	0.4
198.01897	0.5
205.04933	0.4
207.02654	1.1
211.65250	0.3
219.02931	6.1
219.06371	0.5
220.03230	0.4
224.02606	0.3
225.03987	0.5
233.04462	0.6
237.03046	0.5
249.04137	0.5
258.04037	1.7
261.03961	2.6
291.05161	0.7
303.05222	0.3
321.09778	0.7
339.07227	1.3
339.19937	0.4
340.07407	0.5
358.08026	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
54.46778	0.3
55.01894	0.5
55.05511	0.8
57.03443	1.1
60.08265	0.3
60.22860	0.3
63.02395	0.3
67.05505	0.9
69.03439	4.6
69.07098	0.7
69.45206	2.7
70.06593	1.9
71.05001	0.7
73.02931	0.6
79.05489	0.6
79.23141	0.3
81.03423	17.6
81.07059	2.2
83.04972	0.3
84.04541	0.5
85.02908	5.4
89.03923	6.2
90.00981	0.3
91.05473	0.9
93.07054	1.2
95.08617	1.2
96.50468	0.3
97.02890	1.3
97.06473	0.4
99.04435	2.0
105.07046	0.7
106.04170	0.3
107.08608	0.9
109.02888	5.6
109.06545	0.4
109.10194	1.0
112.08753	0.4
117.03390	21.3
118.03638	0.4
119.04923	0.4
119.08565	0.4
121.06545	0.4
121.10129	0.7
123.07978	0.4
123.11731	1.2
127.03918	1.7
130.05028	0.5
130.08376	0.4
133.10199	0.4
134.03648	2.0
135.04466	1.6
135.11710	0.3
137.02396	0.3
137.05963	0.6
139.11194	0.5
145.02856	52.4
146.03166	1.5
147.04376	0.4
149.05997	8.2
163.03905	1.0
173.56468	0.3
177.05482	100.0
178.05836	3.0
186.05507	1.3
194.86821	0.3
195.06566	2.5
275.72064	0.5
279.08621	0.6
321.09717	22.1
322.10046	1.5
339.10754	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	1.4
55.01865	1.1
55.05504	2.7
56.96556	0.8
57.03426	2.1
59.04994	0.6
61.02912	0.5
67.05502	3.2
69.03423	7.6
69.07069	3.5
69.40369	5.2
70.06576	1.8
71.04989	1.3
72.87596	0.5
73.02911	0.8
79.05487	3.0
81.03416	14.8
81.07050	6.4
83.04984	0.9
83.08614	1.2
85.02907	5.4
89.03915	5.4
91.05473	2.9
93.07043	4.4
95.04942	2.7
95.08598	6.5
97.02880	2.1
97.10155	3.1
98.21539	1.0
99.04444	1.8
103.05473	1.0
105.07008	2.8
107.04934	0.9
107.08578	3.7
109.02888	5.7
109.06548	0.6
109.10139	5.2
111.08049	0.6
116.98603	1.1
117.03381	18.9
117.07000	0.9
119.03619	0.6
119.04923	1.0
119.08555	2.1
120.14550	0.5
121.10136	3.3
123.07976	0.5
123.11708	2.5
125.09685	0.6
127.03915	1.6
127.11208	0.6
131.08531	1.2
133.10155	1.7
134.03619	1.3
134.99675	0.6
135.04407	2.4
135.11688	1.9
137.02321	1.0
137.05959	2.3
137.09604	3.0
143.10690	0.7
145.02846	49.6
145.10085	0.8
146.03194	1.6
147.04398	1.6
147.11690	1.2
149.05986	7.6
149.13242	1.2
151.11250	0.7
153.05510	1.3
153.12721	0.8
157.10190	0.6
159.08014	0.6
163.03885	1.3
163.07526	0.9
165.09114	4.6
173.13266	0.6
177.05469	100.0
177.16382	0.7
178.05807	2.3
179.10727	0.8
186.05507	2.3
195.06555	2.7
197.01204	0.8
209.06020	0.6
219.08066	0.9
229.07379	0.7
247.08235	0.6
279.10324	0.8
303.19794	0.6
303.23203	1.7
307.09753	1.2
311.12491	0.8
316.05734	1.0
321.09677	16.0
321.20642	0.9
321.24121	3.2
339.12128	5.2
339.18787	2.9
339.25208	1.5
340.12506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41729	0.9
56.96568	1.1
57.03443	0.8
59.73051	0.6
65.54430	0.6
67.19885	0.7
69.03426	0.9
70.06593	1.7
71.57978	0.7
76.64094	0.7
84.08115	0.8
85.02900	1.6
90.94809	0.8
95.04916	1.3
95.09724	0.7
98.97571	4.3
116.98628	3.4
119.04964	1.8
123.04458	5.2
132.04454	12.0
133.04840	0.7
134.99657	1.8
137.02333	2.5
137.05896	1.2
144.02026	0.7
147.04413	8.1
148.03911	3.8
149.03433	1.7
158.99683	2.4
163.03918	0.7
165.05424	0.9
177.00737	3.3
177.05396	0.9
178.08488	0.7
179.93689	0.7
185.04227	1.4
219.01764	4.4
234.98978	2.0
237.02805	0.8
273.06668	0.7
322.09241	1.5
339.01764	2.2
339.10486	100.0
340.10791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.65833	0.3
51.02387	0.3
53.03950	1.4
54.54695	0.3
55.01869	0.5
55.05502	0.7
56.94970	0.3
57.03429	1.2
61.02911	0.3
63.02392	0.5
64.77616	0.2
66.42900	0.2
67.05498	0.7
67.13597	0.2
69.03430	6.0
69.03806	0.4
69.07056	0.5
70.06586	0.6
70.58925	1.0
71.04975	1.3
73.02919	0.7
76.19387	0.3
78.04709	0.3
79.05501	0.4
80.16050	0.2
81.03420	18.4
81.07057	1.6
83.08609	0.3
83.28345	0.2
85.02908	5.1
85.06563	0.3
89.03917	7.0
91.05481	1.5
92.05786	0.3
93.07041	0.9
94.94812	0.3
95.08608	0.8
97.02875	1.5
97.10241	0.3
99.04466	1.9
100.11260	0.5
105.07033	0.7
106.04230	0.3
107.04980	0.4
107.08597	1.0
109.02883	5.8
109.10126	1.0
111.93619	0.3
117.03386	22.2
118.03770	0.3
119.04974	0.4
119.08563	0.5
121.06466	0.3
121.10132	0.7
123.11714	0.5
125.79221	0.3
127.03943	1.6
134.03665	1.8
135.04388	1.7
137.05945	0.8
145.02849	52.6
146.03261	0.6
149.05988	7.8
158.06100	0.3
162.03191	0.3
163.03920	1.1
177.05473	100.0
178.05811	1.2
186.05484	1.8
195.06538	3.7
206.09105	0.3
261.75952	0.3
279.08646	0.5
321.09702	21.4
339.10852	3.5
358.65857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01866	0.9
55.05513	3.9
56.05029	2.3
57.03433	2.0
57.07057	1.0
61.01166	1.0
62.12309	0.6
63.02386	1.2
67.05511	6.4
68.30552	0.6
69.03430	5.8
69.07075	3.2
69.87764	4.5
70.06580	3.1
71.04983	2.4
73.02920	1.3
79.05492	2.4
81.02975	1.0
81.03426	15.6
81.07065	12.4
83.04977	1.5
83.08607	2.5
84.08185	0.9
85.02908	6.3
85.06542	1.9
89.03913	5.5
91.05473	3.1
93.07052	7.6
95.04967	2.3
95.08611	13.5
97.02889	2.1
97.06537	0.8
97.10162	1.6
98.06081	1.1
98.09665	1.0
98.97604	1.2
99.04449	2.2
100.11250	1.9
103.05440	1.2
104.05316	3.3
105.07021	2.8
107.04983	0.9
107.08585	5.4
109.02898	5.8
109.06521	1.9
109.10155	10.1
111.08095	2.3
113.06007	0.6
116.98656	0.8
117.02612	1.4
117.03386	20.7
118.03704	1.1
119.04919	0.9
119.08579	2.8
120.08121	5.9
121.06454	1.0
121.10174	4.7
123.08085	1.2
123.11700	8.7
125.09663	0.7
127.03899	2.2
128.09433	0.8
131.08569	1.2
131.61240	0.7
133.10150	1.0
134.03633	2.0
135.04419	2.4
135.07983	0.7
135.11665	1.6
137.02292	1.1
137.05992	1.4
137.09644	4.1
139.07553	1.5
145.02855	51.3
145.10143	0.9
146.03166	1.6
146.06339	1.8
147.04375	2.2
147.08073	0.9
147.11661	1.8
149.05983	7.9
149.09508	1.0
149.13264	3.1
155.10684	1.6
163.03893	1.1
163.11069	0.6
165.09137	6.2
166.08655	4.6
169.50592	0.7
173.13194	0.8
175.07669	1.0
177.05478	100.0
178.05981	3.2
182.15425	0.6
183.10225	1.6
186.05508	3.0
187.13318	1.7
191.56551	0.7
195.05013	0.8
195.06551	4.1
201.11166	2.0
210.14842	0.9
257.22894	0.8
263.07031	1.6
265.08508	1.8
275.23688	0.8
279.10101	1.0
293.11935	0.7
293.24854	1.6
303.23380	0.9
307.09695	1.3
311.12732	0.9
321.09711	21.6
321.24286	3.6
322.10156	1.4
339.12360	7.9
339.25665	4.3
340.12494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03944	1.2
55.01881	0.5
55.05517	21.5
57.03442	15.5
57.06871	0.4
57.07079	4.6
63.57609	0.5
65.03942	1.2
67.05510	46.3
68.05827	0.7
69.03414	0.6
69.07072	25.9
70.07409	0.8
70.86340	0.6
70.86674	1.0
71.04983	1.7
71.08620	1.5
73.02905	0.5
79.05499	11.7
81.07063	49.7
82.07383	1.0
83.04976	1.8
83.08626	13.5
85.06533	1.6
85.10137	0.7
91.05486	8.7
93.07054	12.9
95.04976	1.3
95.08615	43.2
96.08941	1.3
97.06539	3.0
97.10177	7.9
99.08074	1.3
105.07035	6.7
107.08604	7.2
109.06499	0.5
109.10162	19.1
111.08101	2.2
111.11684	1.1
117.07101	0.7
119.08598	5.1
121.10152	6.5
123.08080	1.4
123.11713	6.5
125.09615	0.7
129.05492	0.6
131.08536	0.5
133.10136	5.1
135.11668	3.6
136.28456	0.5
137.09587	1.1
137.13300	2.6
147.11722	3.6
149.13318	2.8
151.11171	0.7
151.14803	1.3
152.86319	0.5
153.12700	0.6
161.13263	2.8
163.14844	2.3
165.16273	0.5
167.14415	0.5
175.14876	2.2
177.16339	0.9
189.16354	0.8
195.79364	0.5
204.71135	0.4
245.22670	3.1
263.23721	4.8
264.42599	0.5
265.13849	0.6
337.27396	100.0
338.27704	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	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.02357	0.3
53.03946	1.1
54.98051	0.3
55.01870	1.2
55.05514	22.7
57.03440	15.4
57.07081	3.7
65.03943	1.4
67.05506	52.9
68.05846	0.8
69.03427	0.5
69.07070	31.8
70.05041	1.4
70.07417	0.6
71.04989	1.3
71.08640	1.4
72.02978	0.3
73.06562	0.4
79.05495	13.5
79.05965	0.7
79.30636	0.3
80.05819	0.6
81.07059	50.4
82.07393	1.0
83.04994	1.8
83.08621	15.1
84.08928	0.3
85.06554	1.2
85.10181	0.9
91.05479	8.8
92.05837	0.4
93.07050	13.6
94.07398	0.5
95.04972	1.1
95.08608	36.4
96.08956	0.8
97.06528	3.2
97.10172	6.6
99.08096	1.5
105.07036	5.9
107.08601	8.3
109.06507	0.7
109.10165	14.4
110.02158	0.3
110.10446	0.4
111.08090	1.7
111.11711	1.7
115.81839	0.3
119.08583	5.9
121.10144	5.1
123.08104	0.9
123.11716	6.2
125.09635	1.2
125.13274	0.4
127.11150	0.4
131.08600	0.6
133.10135	5.1
135.11682	3.3
137.09645	0.7
137.13254	2.4
139.11166	1.0
147.11691	4.4
149.13290	2.0
151.11189	0.7
151.14832	1.2
153.12857	0.7
161.13261	2.0
163.14844	1.4
165.12808	0.5
165.16365	0.5
166.65488	0.4
167.14360	0.4
175.14792	1.8
177.16431	0.8
189.16420	0.7
193.15770	0.5
203.18025	0.4
210.89964	0.3
219.05223	0.3
245.22589	1.3
263.23755	2.4
302.97031	0.4
319.22614	0.8
337.27368	100.0
338.27719	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	339.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.7
56.96557	1.9
57.07052	1.2
65.03922	2.0
67.05489	1.7
68.99792	4.7
69.03413	3.2
69.07074	3.1
70.06585	4.4
71.04996	2.8
71.58765	1.5
71.95065	1.3
81.03419	2.4
81.07040	2.9
83.04971	1.9
84.04504	1.9
84.08141	1.4
85.02895	2.5
85.06538	4.8
89.03880	1.1
90.09087	1.0
91.05470	12.6
95.04985	2.1
97.02885	4.3
97.06528	1.2
98.07307	1.0
98.97583	1.4
105.07038	1.6
107.04961	2.9
107.08552	1.2
109.02892	3.1
111.00825	1.7
111.04432	2.8
115.05443	1.7
116.98582	1.5
119.04943	25.9
119.05769	1.7
121.02898	1.9
123.04441	8.5
123.11716	1.6
125.02359	1.5
126.21310	1.2
127.03938	1.9
132.04477	1.5
135.04413	2.7
137.02339	4.7
137.05991	1.8
138.05478	1.6
139.03906	33.2
140.04607	4.0
141.12741	2.8
145.02841	3.2
145.06505	1.8
146.99721	1.5
147.04416	100.0
148.04779	1.5
151.03900	3.8
153.01823	1.3
153.05505	1.3
155.03391	19.1
159.04416	2.3
159.13797	1.8
161.05981	2.4
163.03932	13.9
165.05492	3.4
166.05051	1.3
167.03484	1.8
168.04222	5.5
170.03891	1.2
173.06075	1.6
175.03883	2.6
177.05460	23.2
177.06888	2.0
177.14905	1.4
179.03415	3.0
181.04997	5.1
183.02928	1.7
187.04059	2.4
189.05470	2.3
191.03410	3.8
193.04900	2.4
201.05479	2.4
203.03409	13.9
205.04970	12.8
215.03333	6.9
217.04950	1.5
219.02998	1.8
221.04457	3.0
229.05037	1.6
231.02917	4.3
233.04469	15.2
239.03426	5.1
242.02090	2.1
247.05986	1.7
251.05510	6.6
257.04492	3.5
261.04178	1.3
267.02802	3.1
275.05606	2.7
277.03448	3.3
285.04034	1.3
295.04468	8.0
303.04907	4.2
306.07281	1.2
307.09604	1.6
321.06104	7.5
321.09427	1.4
321.14185	2.2
339.07147	18.1
339.11166	1.7
339.15903	1.3
340.13275	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.32879	0.7
51.42321	0.6
51.92128	0.6
53.03943	1.3
53.72147	0.5
55.01867	1.8
55.05515	22.3
56.05850	0.6
57.03440	15.5
57.07074	4.2
65.03923	1.0
67.05506	50.5
68.05836	0.7
69.07069	30.2
71.04987	2.0
71.08619	2.4
71.60741	1.2
78.01315	0.6
79.05051	1.0
79.05493	12.3
80.05841	0.8
81.07059	55.3
82.07394	1.0
83.04987	1.7
83.08144	1.1
83.08621	16.7
85.06532	2.5
91.05485	8.1
93.07049	13.6
95.04951	2.2
95.08610	41.2
96.08933	1.3
97.06527	3.7
97.10179	9.5
99.08092	1.2
105.07038	6.8
107.08598	9.9
109.06539	1.6
109.10153	17.7
110.10415	0.6
111.08073	1.5
111.11707	2.2
113.09666	1.0
117.07062	0.8
119.08562	6.4
121.10149	7.3
123.04445	8.6
123.08090	0.9
123.11707	6.7
131.08563	0.9
133.10135	6.0
135.11711	4.5
137.05916	0.8
137.09610	0.8
137.13260	3.1
139.11211	0.9
143.08653	0.7
145.10149	0.9
147.03168	0.6
147.11678	3.8
149.13235	3.2
151.11165	0.8
151.14804	0.9
153.12776	0.8
158.13425	0.7
159.11754	0.6
161.13263	4.4
163.14822	3.0
175.14865	2.8
179.14336	0.9
229.09041	0.6
245.22719	3.7
263.23730	5.6
301.21609	1.6
310.73618	0.6
319.22739	1.7
319.26392	2.7
337.27374	100.0
338.27838	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	337.2739
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03943	1.4
55.01879	0.9
55.05516	22.7
57.03442	16.9
57.06869	0.4
57.07085	4.6
57.43042	0.5
59.61538	0.4
63.48334	0.5
65.03937	1.3
67.05508	51.1
68.05842	0.8
69.07072	28.4
70.87999	0.8
70.88347	0.8
71.04986	1.3
71.08620	1.7
77.51633	0.4
79.05498	12.7
79.73015	0.5
81.07062	53.3
82.07363	0.5
83.04980	1.2
83.08624	16.3
84.09003	0.5
85.06558	1.1
85.10204	0.8
91.05486	8.8
92.05848	0.6
93.07054	13.9
95.04987	1.1
95.08612	44.0
96.08918	0.8
97.06535	3.5
97.10178	8.0
97.10781	0.9
99.08107	1.3
105.07038	6.5
107.08595	7.7
109.06492	1.0
109.10159	17.3
111.08091	1.6
111.11717	2.3
113.05965	0.5
113.09679	0.6
117.07013	0.6
119.08582	6.6
121.10168	6.5
123.11716	6.7
125.09599	1.4
131.08574	0.6
133.10130	5.1
135.11714	4.0
137.09644	0.6
137.13269	3.0
145.10124	0.6
147.11681	2.8
149.13220	2.4
151.14865	1.5
161.13185	2.6
163.14885	2.0
175.14879	2.6
177.16370	0.8
189.16394	1.3
216.06100	0.5
245.22658	3.6
263.23727	6.1
319.26450	1.0
337.27393	100.0
338.27771	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	337.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01870	1.2
55.05515	25.5
57.03181	1.4
57.03440	16.5
57.07072	4.4
65.03951	1.5
66.02209	0.9
67.05508	55.7
68.05827	2.0
69.07072	34.0
69.07453	1.7
69.94189	1.8
69.94606	2.7
71.04993	1.8
71.08611	1.7
79.05495	15.4
80.05836	1.2
80.64368	0.7
81.07059	60.1
82.07396	2.0
83.04987	1.7
83.08143	0.9
83.08628	15.8
85.06548	1.9
85.10145	0.7
91.05476	9.1
92.05832	0.9
93.07044	17.3
94.07393	1.5
95.04977	1.8
95.08609	40.5
96.08920	2.3
96.78346	0.9
97.06519	3.9
97.10168	7.6
98.20802	1.1
99.08124	1.2
105.07029	7.4
107.08597	7.6
109.06505	1.2
109.10151	14.0
111.04436	1.2
111.08089	2.4
111.11718	2.0
119.08575	7.0
121.10129	7.0
123.08018	1.0
123.11714	6.3
125.05994	3.8
125.09633	0.9
128.23532	0.9
131.08604	1.5
133.06502	1.0
133.10112	6.0
133.26274	0.8
135.11685	4.2
137.09677	1.3
137.13295	1.9
139.11198	0.9
145.10123	1.3
147.11702	4.9
149.13246	2.3
151.14902	0.9
153.05475	6.1
161.13278	3.0
162.13483	0.8
163.11182	0.8
163.14879	2.3
167.06999	1.5
175.14862	2.2
187.14882	1.0
245.22673	1.1
263.23651	3.3
273.18622	0.9
291.19446	2.9
329.62067	0.9
337.17896	4.4
337.27347	100.0
338.27844	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	337.2374
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
50.15015	2.3
50.98790	2.2
53.03940	4.1
55.01878	2.9
55.05507	19.3
56.96572	2.7
57.03446	3.2
57.07072	5.0
59.05000	3.9
65.03928	2.8
67.05503	41.7
69.03426	11.1
69.07069	28.1
69.73421	4.3
69.73824	14.7
70.06581	6.0
71.04986	10.8
79.05495	21.9
79.95544	2.7
80.72188	2.5
81.03428	7.8
81.07053	100.0
83.04979	8.0
83.08611	8.0
85.02876	2.6
85.06536	11.2
91.05476	26.7
93.07035	47.8
95.04963	10.6
95.08040	4.7
95.08605	51.2
97.02943	3.1
97.06519	9.9
97.10157	6.6
98.97637	4.1
99.08042	4.0
100.11203	3.3
102.03951	2.3
105.07027	34.0
107.04972	3.1
107.08596	83.4
109.02882	5.9
109.06503	10.8
109.07205	3.0
109.10154	76.0
111.04418	4.7
111.08083	5.0
113.09676	12.0
114.10310	3.4
117.06982	3.8
119.04918	2.5
119.08595	29.0
121.06516	7.5
121.10133	44.9
123.04398	3.8
123.08089	5.5
123.11710	58.0
125.09631	9.7
127.03963	4.1
129.06953	4.1
131.08565	11.2
133.06471	4.3
133.10121	29.4
135.08073	11.2
135.11685	17.9
137.06027	5.3
137.09624	11.3
137.13213	3.5
139.11232	4.5
141.12737	3.8
143.08638	3.6
145.10129	18.1
147.04485	3.4
147.08072	6.6
147.11659	14.3
149.06078	3.3
149.09622	11.2
149.13283	6.8
151.11186	8.6
153.12749	3.6
157.10089	7.8
159.11678	15.2
161.09616	10.1
161.13278	6.7
163.07504	3.3
163.11176	6.9
165.09137	10.0
167.08696	2.4
167.10678	6.5
169.12276	3.5
171.07889	2.5
171.11737	2.7
173.09625	3.1
173.13268	9.3
175.03877	5.2
175.11198	9.2
175.14891	3.7
177.05507	4.2
177.09085	5.9
179.10698	4.7
183.10237	2.9
185.13258	3.8
187.13316	9.7
187.14847	3.2
189.12817	4.4
191.10756	3.6
193.05028	6.3
193.12288	5.7
195.10149	2.7
199.14822	2.8
201.16385	3.9
203.14362	3.8
207.06593	3.6
210.14949	3.3
213.16385	3.9
215.17845	5.3
219.13820	5.1
225.16364	3.7
233.15305	4.4
235.13203	5.2
243.17560	4.6
245.15392	6.0
251.16513	4.8
255.21205	3.2
271.05856	2.4
273.22095	12.3
283.20599	9.1
291.23227	8.9
297.04077	7.0
301.21619	24.9
315.05328	5.9
319.15140	3.3
319.19052	5.1
319.22687	48.6
337.10861	5.2
337.23679	58.4
338.06940	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	337.2373
Annotation	8-iso-PGA1
Peak:m/z	Relative Intensity
55.01879	11.3
55.05501	15.6
57.03438	3.2
57.07074	3.5
59.39318	2.0
67.05511	30.8
69.07070	26.2
69.62545	12.2
69.62962	3.3
70.06564	2.7
70.80145	2.5
71.04964	5.0
79.05065	2.3
79.05493	32.3
80.05846	1.9
81.03408	5.9
81.06575	4.2
81.07056	76.7
83.04991	21.1
83.08606	9.0
85.02895	4.9
85.06561	2.7
91.05492	19.1
93.07048	31.3
94.07400	2.9
95.04973	10.2
95.08612	23.0
97.06513	8.0
97.10133	2.7
99.04447	3.3
100.11245	2.6
105.07021	13.5
107.04955	8.3
107.08589	18.3
109.06514	14.2
109.10173	9.8
110.06001	2.0
110.18855	1.8
111.04446	30.6
111.08104	4.6
111.11753	2.4
117.07010	9.1
119.08586	23.5
121.06506	8.0
121.10143	12.8
123.08062	9.2
123.09089	1.7
123.11721	2.5
125.05995	4.1
128.27647	2.1
129.06985	2.5
131.08577	9.1
133.06538	2.4
133.10120	8.3
135.08051	9.4
135.11658	10.9
137.05917	2.8
137.09581	3.5
139.07567	3.1
143.08510	3.7
145.10126	13.0
147.08076	4.6
147.11697	4.3
149.13319	3.0
153.12769	2.5
157.10086	5.8
159.11700	7.6
163.04039	2.0
163.11119	2.4
163.14769	3.7
173.13263	5.2
177.05359	1.9
178.13174	3.6
181.10048	2.0
181.15923	10.6
185.13216	1.8
187.11136	3.3
201.12862	2.1
209.15393	3.9
217.14307	6.8
237.14922	6.8
246.15898	2.1
251.16298	3.6
255.15944	15.2
273.22186	3.3
277.17966	4.8
277.23593	2.9
278.21783	4.0
283.20758	2.3
295.24591	10.8
301.21637	29.4
319.22659	100.0
320.22958	4.4
337.22330	8.9
337.25732	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	337.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
53.99290	1.3
55.01866	5.5
55.05513	20.0
55.61296	1.1
57.03189	1.3
57.03443	15.5
57.07080	16.3
60.65590	1.2
61.02916	3.3
67.05512	17.3
69.03439	18.6
69.07073	12.7
70.95259	3.8
71.01357	3.2
71.04997	9.8
73.02921	11.5
73.06548	3.3
79.05061	2.0
79.05499	29.3
81.03414	5.9
81.06580	2.3
81.07057	39.0
83.04980	9.3
83.08636	7.3
85.02913	10.5
85.06552	23.1
87.04482	3.0
91.05482	15.7
93.07046	16.7
95.04975	5.9
95.08611	14.0
97.02911	2.2
97.06531	4.3
99.04454	8.9
99.08102	4.9
103.03942	4.8
103.07591	2.2
104.06265	1.5
105.07014	4.0
107.04962	1.7
107.08595	8.2
108.32364	1.4
109.06528	17.9
109.10233	1.6
111.04442	5.6
111.08084	33.7
115.03934	4.4
115.07546	2.7
117.07021	3.4
121.10137	2.2
123.08070	4.5
125.09627	5.2
127.07577	15.4
129.05524	3.6
129.09111	5.8
130.89229	1.3
133.10129	30.2
135.08015	6.5
141.09178	1.7
149.09627	100.0
150.09937	2.9
153.09122	26.6
171.10170	29.4
189.11232	10.8
218.49394	1.3
328.26733	1.6
337.27502	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2375
Annotation	Acanthoaustralide
Peak:m/z	Relative Intensity
53.03947	4.6
55.01862	8.4
55.05511	27.3
56.96553	4.7
57.03419	6.1
57.07067	4.2
65.03922	11.0
67.05504	40.7
69.03420	5.7
69.06722	4.1
69.07071	52.3
71.04967	10.2
79.05496	38.9
81.03419	14.6
81.07059	100.0
82.07372	2.7
83.04984	58.7
83.08612	10.6
85.02895	6.0
85.06539	4.4
91.05487	18.7
91.18649	2.4
92.02474	2.6
93.06553	3.2
93.07053	40.5
95.04948	15.8
95.08618	36.7
97.06525	17.8
97.10125	3.7
98.21555	4.6
98.98470	6.4
99.08064	7.3
105.07048	18.8
107.04971	8.8
107.08597	24.8
109.06497	7.0
109.10166	15.2
111.04454	17.1
111.08074	3.7
113.38878	2.8
116.98693	3.2
117.06995	8.8
119.08587	18.5
120.12928	3.1
121.06487	7.8
121.10127	16.0
123.08075	31.7
124.07587	2.5
125.02310	5.9
129.07030	5.3
131.08557	15.2
133.06482	3.8
133.10164	4.1
135.08043	8.7
135.11707	22.3
137.09636	5.7
142.35172	2.8
142.52890	2.7
143.08612	4.1
145.10106	12.4
147.08051	8.7
147.11685	3.3
149.09612	4.4
149.13275	3.4
151.01584	4.0
153.09151	3.5
153.12723	9.6
157.10080	5.4
159.11688	6.7
161.09651	4.7
163.11179	4.2
163.14946	2.6
173.13245	3.0
175.01506	4.0
175.11218	3.0
181.15866	7.3
209.15410	5.2
217.14375	15.2
221.15334	7.6
227.04552	2.8
237.11128	3.1
237.14949	6.8
239.16335	3.3
251.16359	3.9
255.15903	13.6
257.29422	2.9
273.18573	3.6
273.22195	3.9
291.19562	4.2
301.17944	8.4
301.21579	19.8
310.23651	3.6
319.18997	7.7
319.22635	84.1
320.23062	4.1
337.02402	32.0
337.20102	6.1
337.23740	13.9
338.02945	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	337.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05503	3.4
56.96566	2.5
57.03421	1.5
67.05505	16.4
69.03427	3.9
69.07078	9.1
70.06585	2.0
71.04992	3.0
71.60141	1.9
79.05495	6.6
79.30838	1.4
81.03408	2.1
81.07059	31.9
83.04983	4.2
83.08614	2.8
85.02898	2.1
85.06524	3.5
91.05476	13.8
91.25632	1.5
93.07060	8.3
95.04961	3.1
95.08601	8.6
97.02869	2.2
97.06546	8.0
97.10155	1.5
99.04490	1.4
99.08111	1.6
105.07029	20.9
107.08594	7.8
109.02884	1.8
109.06535	3.0
109.10176	9.0
111.08078	2.3
113.06034	1.3
114.39645	1.2
119.08587	15.1
120.11829	1.2
121.06536	1.3
121.10140	12.0
123.04392	2.0
123.08085	2.4
123.11703	12.2
127.03911	10.9
129.06995	5.4
131.08580	5.2
133.10126	8.8
135.11662	2.5
137.05994	4.8
137.09583	2.6
137.13235	1.6
139.03886	2.7
143.08551	1.7
145.10138	1.7
147.11685	43.7
151.07585	1.4
153.01840	33.3
157.10136	8.9
159.11722	2.0
161.05962	1.5
161.09624	1.8
162.46742	1.3
163.03926	1.8
165.12747	21.0
175.11160	11.9
177.05615	1.6
193.12259	4.9
211.13304	3.6
229.14360	100.0
230.14758	3.5
277.08661	1.5
301.21729	2.6
319.22650	3.0
322.73770	1.4
337.10449	7.4
337.16827	3.5
337.23880	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1393
Annotation	Semilepidinoside A
Peak:m/z	Relative Intensity
54.80803	0.5
55.01856	0.7
57.03439	0.9
61.02924	0.9
62.21899	0.4
63.23441	0.4
69.01581	0.5
69.03436	3.0
70.06590	0.7
71.57795	0.6
73.02896	0.9
75.31144	0.4
79.05490	1.8
81.03429	0.8
81.07074	0.5
81.53677	0.4
82.06587	1.0
82.94989	0.4
83.04975	1.1
84.04472	0.6
84.20386	0.5
85.02909	4.4
87.04429	1.1
91.05479	0.5
95.04987	0.5
97.02898	1.3
97.06537	0.7
98.97610	0.5
101.02414	0.5
103.05451	2.6
107.04957	2.3
109.02877	0.8
110.06038	0.9
111.04441	0.5
113.02360	1.6
116.04967	1.2
117.05717	0.5
120.08121	1.8
121.02868	2.8
121.03587	0.4
121.06490	0.7
123.04485	0.7
124.07573	1.3
125.05979	0.6
127.03918	1.7
128.10785	0.6
130.06532	36.4
131.04944	2.4
131.06850	1.5
132.04454	6.5
133.06544	0.6
134.06084	0.7
135.04443	0.4
142.05229	1.2
145.04977	1.1
146.06056	0.7
147.09235	0.9
148.03899	0.7
148.07562	7.6
150.09169	0.4
152.07066	0.8
153.05362	0.5
157.07619	50.5
158.06050	1.3
158.08405	4.7
159.04358	0.4
159.09192	1.3
160.07568	0.8
161.05904	0.8
163.03879	1.4
169.06476	0.6
170.08173	1.0
171.06596	0.8
173.07191	0.7
175.08673	100.0
176.07086	2.0
176.09081	3.2
178.88072	0.4
187.03874	1.0
188.07733	0.4
188.09178	3.3
189.05466	0.6
191.07083	1.3
197.06102	0.6
204.04129	1.0
219.06543	1.9
231.06381	0.5
260.06882	1.2
262.04681	0.5
275.09201	2.3
276.08722	0.5
277.07083	1.8
301.11786	0.6
319.08994	0.6
319.12854	1.8
337.13922	50.5
338.14441	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	337.113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37973	1.3
53.03939	7.1
55.01869	4.7
55.05502	7.3
56.76804	1.2
57.03430	9.9
60.05646	1.5
61.02921	5.7
65.03916	7.7
67.05505	5.8
68.99786	2.1
69.03430	100.0
69.07069	2.4
69.42319	5.9
69.42745	8.4
70.06590	6.8
71.01337	1.6
71.05000	9.9
72.08167	2.8
73.02918	7.5
75.13234	1.5
79.05486	1.7
81.03419	42.8
81.07057	2.3
83.04981	45.5
84.08150	1.8
85.02908	91.3
86.06071	1.5
87.00868	7.2
87.04484	2.3
89.92731	1.5
91.03951	2.3
91.05469	2.5
91.47414	1.6
93.03399	8.7
93.07030	1.7
95.04977	12.8
95.08614	2.3
97.02896	37.5
98.97576	3.5
99.04459	18.2
101.02372	3.0
101.06036	2.9
103.03951	2.0
105.07080	1.7
109.02878	41.7
111.04446	71.0
114.10310	2.3
115.03914	3.0
119.08618	1.8
121.02871	64.0
123.04432	4.3
127.03917	87.7
129.05479	82.0
132.04463	2.4
135.04413	2.5
137.02342	1.6
137.06009	1.6
139.03912	21.6
145.04956	30.0
147.06528	39.3
151.07562	3.7
153.05553	1.5
157.04984	15.4
158.08946	1.8
163.03931	7.3
165.00522	1.7
175.06024	34.1
175.07481	3.3
181.04973	4.4
188.09137	1.7
193.07068	7.5
201.65671	1.7
205.04784	1.4
217.07045	9.6
234.12360	3.6
301.09146	4.3
311.83069	1.5
319.10056	3.4
337.08810	7.2
337.12112	7.2
337.17551	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	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61136	1.9
56.05035	5.8
60.05650	13.2
63.89961	1.9
67.75583	1.9
70.06599	57.9
70.83384	4.8
71.04984	3.8
72.08166	11.9
80.10525	2.1
81.03370	2.1
84.04496	4.1
84.08138	7.0
85.02924	4.4
87.07983	2.4
88.58475	2.0
97.07656	4.2
112.07599	3.5
112.08716	9.4
114.09164	6.0
114.10294	14.3
116.07092	11.1
119.01910	5.1
128.07047	5.1
130.05008	2.3
130.09789	11.6
137.30913	2.1
142.08665	3.4
145.03445	4.3
149.71350	1.9
150.09131	2.8
158.09259	7.7
164.03412	4.1
172.05983	2.9
173.02951	2.6
173.14058	3.0
175.11888	16.0
176.03473	2.0
194.04536	2.7
198.11301	3.2
214.10695	2.5
215.30348	2.2
216.12108	2.1
217.01915	5.9
222.03981	2.0
232.11795	7.8
235.02925	3.2
240.05061	2.9
242.10229	3.7
257.16153	3.7
258.06226	9.7
260.11292	2.4
272.83234	1.9
273.09317	2.9
276.07138	16.8
277.07574	4.5
288.85980	2.0
319.15909	5.1
337.10867	89.2
337.17157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32308	1.7
53.03941	2.8
55.01874	8.8
55.05499	2.6
56.96557	3.7
57.03413	3.3
61.02935	9.0
65.03928	3.4
67.05502	3.9
69.03429	12.4
69.07062	2.8
70.06586	5.9
71.04990	3.7
71.19231	4.6
78.34626	1.9
79.05506	3.4
81.03421	4.3
81.07066	2.0
83.01340	2.4
83.04974	8.2
85.02899	14.2
89.03890	2.0
91.05472	3.3
93.07030	2.0
95.04955	8.5
95.08573	1.7
97.02901	6.8
98.79012	1.7
98.97597	3.7
99.04479	2.0
101.02386	4.7
102.04663	2.6
103.05481	21.0
105.07047	8.4
107.04961	7.1
107.08565	1.9
109.02879	5.3
111.04442	8.0
114.09302	1.8
115.05448	9.7
117.07015	3.5
118.04157	12.1
119.04967	3.3
119.08533	2.0
121.02861	7.9
121.10161	1.9
123.04436	10.8
123.05193	2.0
123.08070	1.7
127.03914	6.3
128.06233	5.3
129.03375	2.4
129.05455	8.3
129.07005	4.5
130.04164	8.5
131.04930	68.3
131.08609	3.6
131.53937	1.8
132.04460	18.3
133.06512	9.2
135.04424	3.2
139.03873	3.5
141.06982	18.3
143.04932	2.8
144.05704	6.5
145.02754	2.0
145.04921	4.1
145.06519	12.8
146.03670	12.3
147.04446	8.9
147.06584	3.7
148.05133	3.8
153.06944	1.9
155.03424	2.5
155.04926	6.6
157.02867	6.5
157.05110	3.1
157.06491	13.5
157.07631	2.7
158.07281	3.1
159.04448	9.7
159.08018	4.2
160.05168	4.4
161.05986	23.4
162.03165	2.1
163.03925	9.5
167.07079	3.4
168.05687	3.4
169.04066	2.2
169.06468	22.3
171.04413	7.8
171.07892	1.7
172.05185	4.1
172.42212	2.5
173.05962	10.6
174.03099	4.7
175.03893	7.9
175.06116	2.8
175.08743	3.0
175.11928	2.2
176.04666	15.8
177.00615	2.3
177.05481	7.9
178.06250	5.7
181.04939	5.4
181.06505	2.4
183.04387	2.8
183.08047	2.4
185.06027	8.9
186.06711	7.8
187.03920	41.1
187.07542	14.1
188.04701	10.2
189.01865	13.0
189.05472	20.7
190.06195	4.3
191.07031	64.7
193.07088	2.2
193.08646	7.7
196.05199	2.2
197.05981	21.3
198.03069	2.7
199.03937	5.4
200.04610	5.9
201.05420	7.1
201.09044	5.6
202.06192	2.9
203.03436	8.1
203.07042	6.8
204.04172	33.6
205.05013	8.8
205.08578	7.0
206.05725	4.1
211.07507	4.1
213.05557	10.2
214.06200	5.2
215.03439	3.5
215.07051	26.6
216.04201	6.5
217.05028	16.0
217.08656	8.1
218.05730	12.0
219.06546	61.3
220.03691	1.9
221.08083	7.3
225.05473	2.8
226.06323	2.2
228.04128	2.2
229.04994	2.7
229.08545	14.2
230.02089	2.4
230.05682	2.7
231.02872	5.6
231.06505	12.4
232.07272	4.1
233.08064	9.7
234.05199	6.5
235.06042	9.4
237.07567	2.1
241.04918	2.5
242.05739	5.5
243.06538	19.1
244.03696	4.5
245.04460	25.9
245.08116	18.0
247.05939	3.6
247.09613	19.5
249.07634	8.8
257.08099	30.2
259.06143	4.1
260.06787	38.0
261.07541	3.3
262.04742	15.8
263.05466	15.7
269.04572	2.6
273.07565	13.1
275.06061	4.8
275.09131	100.0
276.09454	4.4
277.03995	3.0
277.07074	62.9
278.07587	4.4
287.05533	14.8
291.08661	4.9
301.07083	14.2
319.08154	23.4
319.11993	2.4
337.09183	21.2
337.13589	4.4
337.17404	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	335.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79503	0.4
56.05036	2.0
56.96569	0.8
57.03446	0.7
57.07079	0.8
60.04504	0.4
67.05496	1.9
69.03435	1.2
69.07071	1.4
69.68367	1.5
69.68780	1.5
70.06581	1.9
71.04989	0.5
73.02921	0.5
75.12914	0.4
79.05495	0.7
81.03457	0.6
81.07059	2.0
84.04487	0.8
84.08142	100.0
85.02908	2.4
85.06522	2.0
85.08493	0.7
87.00832	0.7
93.07059	0.6
95.04976	1.1
97.02906	1.1
97.06511	2.0
98.06033	0.4
98.97589	1.5
99.04461	0.4
101.10790	0.8
102.09179	0.7
107.04922	0.5
109.06537	1.2
110.06040	1.6
111.04449	0.8
111.06388	0.7
111.09212	1.4
112.07605	1.1
115.07506	0.6
116.98641	1.3
123.04437	3.0
123.13908	0.4
124.07600	0.7
125.05951	1.1
127.03947	0.9
127.07553	0.5
127.08668	0.4
129.10236	18.0
130.04970	0.9
130.06602	1.9
130.08641	33.2
131.01906	0.4
132.04446	9.6
132.59282	0.4
133.04796	0.8
137.05977	1.4
138.06404	0.5
141.01930	0.4
142.08633	0.5
143.07077	0.5
147.11278	38.0
148.03912	0.4
155.08136	3.6
157.07594	0.5
160.09689	0.6
172.09634	0.8
173.02702	1.5
173.04362	0.7
173.10214	0.5
177.00685	0.8
179.03331	0.5
185.04178	0.8
192.01958	0.4
203.07764	0.6
205.11877	0.9
219.01703	0.9
226.14438	2.0
232.04988	1.0
234.98997	1.0
237.02823	1.7
256.05124	0.4
258.08655	0.4
260.10272	0.8
271.02505	0.4
271.16611	1.0
272.14825	0.7
275.09677	0.6
281.15039	0.6
289.17557	2.7
299.15991	1.2
315.07584	0.4
317.03049	0.8
317.11453	1.0
317.17227	2.4
335.09415	7.0
335.18134	46.1
336.09186	0.8
336.18661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Phomactin A
Peak:m/z	Relative Intensity
55.05505	0.7
63.32667	0.3
67.05502	2.2
69.07060	0.6
70.69800	0.6
70.70135	0.9
76.53411	0.4
79.05499	1.3
81.07048	1.8
93.07046	1.8
93.46175	0.4
95.08618	1.2
107.08563	0.7
109.10129	0.5
119.08578	0.9
135.11746	0.5
163.11163	0.4
172.53520	0.4
177.12726	0.4
183.59396	0.4
211.01031	0.4
243.42764	0.4
252.68352	0.4
294.24115	2.0
317.21011	0.7
335.21960	100.0
336.22086	4.9
336.25784	2.2
353.21848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.7
64.58658	0.4
67.05510	2.0
69.07058	0.7
70.78047	0.6
70.78400	1.1
72.49170	0.4
79.05496	1.1
81.07091	1.9
87.49355	0.3
91.05486	1.6
93.07057	1.2
95.08618	1.7
105.07034	1.9
106.94092	0.3
107.04911	0.4
107.08595	1.4
109.10159	0.9
119.08588	1.3
121.10129	0.8
131.08559	0.6
133.10164	1.3
137.06093	0.4
138.85663	0.4
145.10098	0.6
147.11693	0.6
168.56747	0.4
187.28418	0.4
257.26855	0.4
259.12015	0.5
275.20126	1.5
291.63086	0.4
299.20056	0.4
317.21085	1.5
335.21960	100.0
336.22330	4.6
353.21301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88207	0.2
66.67927	0.2
67.05485	0.6
69.07055	0.3
70.89596	0.7
79.05478	0.4
81.07059	1.0
91.05492	0.4
93.07037	0.7
95.08595	0.5
103.36363	0.3
105.07040	0.3
107.08573	0.4
109.10148	0.3
122.60672	0.2
123.11761	0.3
152.49657	0.2
215.14204	0.2
221.11490	0.8
232.04837	0.2
314.72665	0.2
317.21005	0.8
335.21927	100.0
336.22241	6.8
336.26056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Phomactin A
Peak:m/z	Relative Intensity
53.03952	1.1
55.01892	0.7
55.05511	8.9
55.98454	0.7
57.03432	7.8
65.03922	0.7
67.05508	31.6
69.07075	6.8
69.96973	2.4
71.04984	0.9
71.08606	0.6
72.75761	0.8
76.16245	0.6
79.05064	0.9
79.05497	17.2
81.07059	25.6
83.04981	1.1
83.08614	2.9
91.05480	7.7
93.07049	17.4
95.04963	2.3
95.08613	21.5
97.06522	0.9
97.10131	0.9
105.07021	5.0
107.08602	9.1
109.10155	9.0
117.06995	1.2
119.08598	3.4
121.10134	6.8
123.08050	1.1
123.11687	1.9
131.08559	2.7
133.10121	4.2
135.11708	5.4
137.13213	1.3
145.10094	1.9
147.11681	2.6
149.13225	2.0
159.11691	1.9
161.13251	2.6
173.13277	1.8
185.48418	0.6
187.14731	0.8
221.11603	0.8
243.21089	1.1
261.22198	1.3
335.21878	100.0
335.25806	46.3
336.22177	5.1
336.25851	1.7
343.17368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03954	0.7
55.01874	0.7
55.05517	8.9
56.94256	0.6
57.03440	13.2
57.07074	1.0
65.03917	2.0
65.26987	0.5
67.05506	47.3
69.07073	11.0
70.08363	0.6
70.78609	0.8
70.78941	1.1
71.04990	1.6
71.40698	0.6
79.05496	21.8
81.07060	49.1
82.07358	1.0
83.04919	0.8
83.08618	5.5
85.06554	1.3
91.05483	12.0
93.07048	27.9
95.04969	2.4
95.08610	43.1
97.06516	1.9
97.10155	2.5
99.08045	0.9
105.07034	11.2
107.08595	16.1
109.06497	1.8
109.10154	19.1
111.08140	0.8
114.46495	0.6
115.29960	0.6
117.07008	2.3
117.73893	0.6
119.08578	8.4
121.10145	15.1
123.08086	1.6
123.11728	7.7
125.09579	1.3
129.05446	2.0
131.08568	6.0
133.10144	7.5
135.11684	13.6
137.09586	0.9
137.13220	1.7
145.10124	5.6
147.11684	5.3
148.95596	0.6
149.09648	1.2
149.13269	7.7
151.11142	0.7
151.14888	0.6
159.11681	4.1
161.13281	5.6
163.11206	1.0
163.14839	5.1
165.12761	0.9
167.46992	0.6
173.13290	5.3
175.14813	2.0
177.12856	1.0
177.16379	1.7
187.14899	3.0
201.16438	0.8
243.21115	9.8
245.22374	0.7
261.22159	11.5
267.19904	0.6
269.15240	0.6
277.21768	0.8
317.24707	2.8
335.21924	13.8
335.25760	100.0
336.22388	1.0
336.26135	2.6
344.87408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
53.03939	1.8
55.01866	0.7
55.05513	9.4
57.03440	16.7
57.07062	2.3
61.31918	0.7
65.03928	1.8
67.05509	53.6
69.06727	0.7
69.07071	10.8
69.86878	2.8
71.04982	1.7
71.08616	1.1
79.05499	26.0
79.47520	0.5
81.03399	0.6
81.07061	55.9
83.04967	1.8
83.08632	6.0
84.65881	0.6
85.06542	2.1
85.93667	0.6
91.05488	14.4
93.07048	35.5
95.04942	2.2
95.08612	45.9
97.06548	3.0
97.10159	2.6
98.20811	0.9
99.08104	0.9
105.07039	10.1
107.08604	20.9
109.06497	1.6
109.10164	21.3
111.08105	1.4
117.07005	3.1
119.08592	9.4
121.06518	0.7
121.10146	17.4
123.08056	1.4
123.11714	7.5
125.09615	1.4
129.05476	1.4
131.08582	7.0
133.10143	7.6
135.11703	12.6
137.09586	1.1
137.13242	2.1
145.10143	6.8
147.11688	6.1
147.30571	0.6
149.13269	8.3
151.11140	0.7
151.14810	0.7
159.11728	5.0
161.13264	5.8
163.11169	0.6
163.14839	3.7
164.48163	0.5
165.12744	1.3
171.11658	0.8
173.13266	4.7
175.14825	1.8
177.16394	1.3
179.14227	0.8
187.14848	3.0
191.14229	0.7
201.16476	1.0
205.15738	0.6
218.88683	0.6
243.21104	6.4
261.22137	10.1
265.71048	0.6
279.23157	1.4
299.23398	0.6
317.24661	3.7
335.25803	100.0
336.26056	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.94519	3.2
52.73107	3.0
53.03941	4.1
54.66127	3.2
55.05497	12.2
57.03429	12.3
67.05175	4.4
67.05508	57.5
69.07071	14.8
71.58747	5.3
76.83984	3.0
79.05494	22.6
80.48620	2.9
81.06639	4.6
81.07062	51.9
83.08616	6.7
89.20166	3.0
91.05483	11.3
93.07047	30.7
94.17266	2.7
95.04975	5.3
95.08051	4.8
95.08613	45.6
97.10157	2.7
105.07020	10.6
107.07973	3.0
107.08595	17.1
109.06441	2.9
109.10168	18.7
111.67630	3.1
119.08588	10.7
121.10149	8.5
123.11699	7.2
124.87933	2.7
125.09666	2.8
131.08554	6.9
133.10158	3.3
135.11693	10.9
147.11813	3.1
148.39691	2.9
149.13271	5.5
159.11763	3.6
161.13252	4.4
261.22073	8.6
335.22638	3.7
335.25836	100.0
352.57449	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	336.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
55.05515	10.2
57.03433	2.0
65.03933	1.2
67.05499	7.2
69.07064	5.0
71.08633	18.6
71.60806	1.2
71.61268	1.3
79.05494	7.6
81.03430	6.7
81.07060	10.0
83.04990	3.1
83.08609	5.6
90.73637	1.0
91.05481	3.7
93.07068	5.3
95.04974	2.7
95.08614	5.1
97.06538	2.7
97.10188	7.3
99.08099	12.0
103.72863	1.1
105.07035	4.2
107.04973	2.5
107.08601	4.0
108.04469	1.4
108.15444	1.2
109.06546	1.8
109.10168	4.0
110.06055	3.4
111.04465	4.0
111.08104	1.9
115.05353	1.1
119.08602	4.1
121.06498	1.6
121.10170	5.4
123.04436	5.2
123.08022	1.9
125.09646	7.4
129.07121	1.4
130.59305	1.1
131.08582	2.6
132.04463	5.0
133.10089	1.1
135.08044	1.6
135.11736	1.3
136.03929	1.8
146.80032	1.0
147.11749	1.5
149.09563	1.3
153.09099	3.0
153.12747	1.2
154.12050	1.2
163.11246	2.1
164.10730	1.8
166.12253	8.6
188.10699	3.9
189.11189	8.0
192.10193	2.7
193.12250	100.0
194.12631	4.2
202.12334	3.5
244.42184	1.0
251.68559	1.1
272.20172	4.2
273.18484	3.1
288.17130	1.3
290.21280	2.2
291.19553	10.0
300.19669	5.3
309.20605	4.2
311.86414	1.5
318.20645	20.3
336.21848	5.4
336.25436	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	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03202	0.5
53.43703	0.5
55.05506	1.0
56.05043	0.6
56.96571	2.9
57.03423	1.0
59.04856	0.5
60.05368	0.9
60.05651	16.0
61.02909	0.8
68.05038	0.7
69.03418	2.3
69.50087	4.3
70.06595	62.1
70.87790	0.5
71.04993	3.3
72.08159	11.0
73.02906	1.3
74.02483	0.5
81.03410	1.8
83.04993	0.6
84.04493	1.5
84.08139	6.0
85.02899	4.5
85.07638	0.6
87.07973	1.5
88.07623	0.9
96.04494	0.9
97.02893	3.0
97.07661	5.3
98.06034	1.1
98.97592	2.9
99.04429	1.3
100.07606	2.3
101.00876	0.8
109.02879	1.4
110.06026	1.4
110.09665	0.6
111.04395	1.0
112.07590	3.0
112.08732	9.7
112.99108	0.8
113.07103	0.8
114.05529	0.6
114.09151	4.5
114.10297	12.5
115.08682	0.6
116.07098	10.7
116.98631	2.4
119.01929	3.4
123.04408	0.6
126.09151	0.6
127.03912	2.1
128.07103	3.8
128.07904	0.7
128.10713	0.8
128.98578	1.0
129.05435	0.6
130.08812	0.6
130.09766	13.3
131.00133	1.4
131.01842	0.8
131.12971	0.7
132.04456	0.9
133.03481	2.4
134.99667	1.2
136.07635	0.8
137.05931	0.5
138.10258	0.7
139.03900	1.1
142.08652	5.7
143.01897	1.0
144.10211	0.7
145.03500	2.5
145.04877	0.5
146.99622	1.1
149.01244	1.2
149.97083	0.5
150.09111	1.8
151.04527	1.3
154.08624	1.9
155.01849	0.5
156.10165	0.8
157.03487	1.5
157.09631	0.9
157.10806	1.1
158.08098	1.9
158.09254	8.5
159.05136	0.7
161.02905	0.9
163.03857	1.0
165.00696	0.6
172.09720	1.2
173.01324	0.5
173.02954	1.8
173.14043	3.7
174.11220	1.8
174.99236	0.7
175.04539	2.5
175.11902	13.8
176.03377	0.7
177.00728	0.7
182.09163	0.7
187.04472	1.2
188.96951	0.5
189.05927	0.8
193.00261	1.0
193.03850	0.7
194.04352	0.6
198.11253	3.7
199.04460	1.0
201.03842	0.7
207.05147	0.8
211.04608	0.8
211.06618	1.0
214.10754	1.8
216.12373	1.2
217.00108	0.9
217.01965	1.8
217.05630	1.0
217.12933	1.2
218.10229	0.7
219.01836	1.0
221.05045	1.2
232.11810	5.3
235.01178	0.7
235.06580	2.4
237.02837	1.1
239.14966	0.9
240.04913	0.9
242.10327	2.9
245.05101	0.9
247.06696	1.9
247.14085	0.8
253.07758	0.5
256.07169	0.9
257.16125	3.9
258.06070	1.6
260.11353	2.1
263.00720	0.9
269.05389	0.6
273.09494	0.9
276.07083	2.9
277.07742	5.1
278.12357	1.1
295.09073	2.5
301.14911	0.9
319.16098	4.6
320.14618	0.9
337.10840	57.0
337.17160	100.0
355.09006	0.9
356.83926	0.6
END